 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jun 30 2017 11:10:34) complex          
  
 executed on    STALLO_VASP_5.4.4 date 2018.12.13  12:50:14
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,   16 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:   PAW_PBE Si 05Jan2001                   

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For optimal performance we recommend to set                            |
|        NCORE= 4 - approx SQRT( number of cores)                             |
|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     |
|      This setting can  greatly improve the performance of VASP for DFT.     |
|      The default,   NCORE=1            might be grossly inefficient         |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing !!!!                                               |
|      Unfortunately you need to use the default for GW and RPA calculations. |
|      (for HF NCORE is supported but not extensively tested yet)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:   PAW_PBE Si 05Jan2001                   
   VRHFIN =Si: s2p2                                                             
   LEXCH  = PE                                                                  
   EATOM  =   103.0669 eV,    7.5752 Ry                                         
                                                                                
   TITEL  = PAW_PBE Si 05Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   28.085; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.900    outmost cutoff radius                                   
   RWIGS  =    2.480; RWIGS  =    1.312    wigner-seitz radius (au A)           
   ENMAX  =  245.345; ENMIN  =  184.009 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  322.069                                                            
   DEXC   =    -.007                                                            
   RMAX   =    2.944    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.993    radius for radial grids                                 
   QCUT   =   -4.246; QGAM   =    8.493    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.900                                                     
     0   .000     23  1.900                                                     
     1   .000     23  1.900                                                     
     1   .000     23  1.900                                                     
     2   .000      7  1.900                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 PAW_PBE Si 05Jan2001                   :
 energy of atom  1       EATOM= -103.0669
 kinetic energy error for atom=    0.0013 (will be added to EATOM!!)
 
 
 POSCAR: Si                                      
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 2.33   2 2.33   2 2.33   2 2.33
   2  0.250  0.250  0.250-   1 2.33   1 2.33   1 2.33   1 2.33
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.3893600000
  
  Lattice vectors:
  
 A1 = (   2.6946800000,   2.6946800000,   0.0000000000)
 A2 = (   0.0000000000,   2.6946800000,   2.6946800000)
 A3 = (   2.6946800000,   0.0000000000,   2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 24 operations are pure point group operations),
 and found     1 'primitive' translations

 
 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    4    -1.000000    90.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
    6    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     0.000000     1.000000    -0.000000     0.000000     0.000000     0.000000
    8     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
    9     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   10    -1.000000    90.000000    -0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   11    -1.000000    90.000000    -0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.000000    -0.707107    -0.707107     0.000000     0.000000     0.000000
   13     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   14     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   15     1.000000   180.000000     0.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000
   16    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   17    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   18    -1.000000    90.000000     0.000000    -0.000000     1.000000     0.000000     0.000000     0.000000
   19     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   20     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   21     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   22    -1.000000   180.000000     0.707107    -0.707107    -0.000000     0.000000     0.000000     0.000000
   23    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   25    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   26    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   27    -1.000000   120.000000     0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   28     1.000000    90.000000    -0.000000    -1.000000     0.000000     0.250000     0.250000     0.250000
   29     1.000000   180.000000     0.707107     0.707107     0.000000     0.250000     0.250000     0.250000
   30     1.000000    90.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   31    -1.000000   180.000000     0.000000     1.000000    -0.000000     0.250000     0.250000     0.250000
   32    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   33    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   34     1.000000    90.000000    -0.000000     1.000000     0.000000     0.250000     0.250000     0.250000
   35     1.000000    90.000000    -0.000000     0.000000    -1.000000     0.250000     0.250000     0.250000
   36     1.000000   180.000000     0.000000    -0.707107    -0.707107     0.250000     0.250000     0.250000
   37    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   38    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   39    -1.000000   180.000000     0.000000    -0.000000    -1.000000     0.250000     0.250000     0.250000
   40     1.000000    90.000000    -1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   41     1.000000   180.000000     0.707107     0.000000     0.707107     0.250000     0.250000     0.250000
   42     1.000000    90.000000     0.000000    -0.000000     1.000000     0.250000     0.250000     0.250000
   43    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   44    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   45    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   46     1.000000   180.000000     0.707107    -0.707107    -0.000000     0.250000     0.250000     0.250000
   47     1.000000   180.000000     0.707107     0.000000    -0.707107     0.250000     0.250000     0.250000
   48     1.000000   180.000000     0.000000    -0.707107     0.707107     0.250000     0.250000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     56 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      8.000000
  0.181818 -0.000000 -0.000000      8.000000
  0.272727  0.000000  0.000000      8.000000
  0.363636 -0.000000 -0.000000      8.000000
  0.454545 -0.000000 -0.000000      8.000000
  0.090909  0.090909  0.000000      6.000000
  0.181818  0.090909  0.000000     24.000000
  0.272727  0.090909 -0.000000     24.000000
  0.363636  0.090909  0.000000     24.000000
  0.454545  0.090909 -0.000000     24.000000
 -0.454545  0.090909 -0.000000     24.000000
 -0.363636  0.090909 -0.000000     24.000000
 -0.272727  0.090909  0.000000     24.000000
 -0.181818  0.090909 -0.000000     24.000000
 -0.090909  0.090909 -0.000000     12.000000
  0.181818  0.181818  0.000000      6.000000
  0.272727  0.181818  0.000000     24.000000
  0.363636  0.181818  0.000000     24.000000
  0.454545  0.181818  0.000000     24.000000
 -0.454545  0.181818 -0.000000     24.000000
 -0.363636  0.181818 -0.000000     24.000000
 -0.272727  0.181818 -0.000000     24.000000
 -0.181818  0.181818 -0.000000     12.000000
  0.272727  0.272727  0.000000      6.000000
  0.363636  0.272727  0.000000     24.000000
  0.454545  0.272727  0.000000     24.000000
 -0.454545  0.272727  0.000000     24.000000
 -0.363636  0.272727  0.000000     24.000000
 -0.272727  0.272727  0.000000     12.000000
  0.363636  0.363636  0.000000      6.000000
  0.454545  0.363636  0.000000     24.000000
 -0.454545  0.363636  0.000000     24.000000
 -0.363636  0.363636 -0.000000     12.000000
  0.454545  0.454545  0.000000      6.000000
 -0.454545  0.454545  0.000000     12.000000
  0.272727  0.181818  0.090909     24.000000
  0.363636  0.181818  0.090909     48.000000
  0.454545  0.181818  0.090909     48.000000
 -0.454545  0.181818  0.090909     48.000000
  0.363636  0.272727  0.090909     24.000000
  0.454545  0.272727  0.090909     48.000000
 -0.454545  0.272727  0.090909     48.000000
 -0.363636  0.272727  0.090909     48.000000
 -0.272727  0.272727  0.090909     48.000000
 -0.181818  0.272727  0.090909     24.000000
  0.454545  0.363636  0.090909     24.000000
 -0.454545  0.363636  0.090909     48.000000
 -0.363636  0.363636  0.090909     48.000000
 -0.272727  0.363636  0.090909     24.000000
 -0.454545  0.454545  0.090909     24.000000
 -0.363636  0.454545  0.090909     24.000000
 -0.454545  0.363636  0.181818     24.000000
 -0.363636  0.363636  0.181818     48.000000
 -0.363636  0.454545  0.181818     24.000000
 -0.272727  0.454545  0.181818     24.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016868  0.016868 -0.016868      8.000000
  0.033737  0.033737 -0.033737      8.000000
  0.050605  0.050605 -0.050605      8.000000
  0.067473  0.067473 -0.067473      8.000000
  0.084341  0.084341 -0.084341      8.000000
  0.000000  0.033737  0.000000      6.000000
  0.016868  0.050605 -0.016868     24.000000
  0.033737  0.067473 -0.033737     24.000000
  0.050605  0.084341 -0.050605     24.000000
  0.067473  0.101210 -0.067473     24.000000
 -0.101210 -0.067473  0.101210     24.000000
 -0.084341 -0.050605  0.084341     24.000000
 -0.067473 -0.033737  0.067473     24.000000
 -0.050605 -0.016868  0.050605     24.000000
 -0.033737  0.000000  0.033737     12.000000
  0.000000  0.067473  0.000000      6.000000
  0.016868  0.084341 -0.016868     24.000000
  0.033737  0.101210 -0.033737     24.000000
  0.050605  0.118078 -0.050605     24.000000
 -0.118078 -0.050605  0.118078     24.000000
 -0.101210 -0.033737  0.101210     24.000000
 -0.084341 -0.016868  0.084341     24.000000
 -0.067473  0.000000  0.067473     12.000000
  0.000000  0.101210  0.000000      6.000000
  0.016868  0.118078 -0.016868     24.000000
  0.033737  0.134946 -0.033737     24.000000
 -0.134946 -0.033737  0.134946     24.000000
 -0.118078 -0.016868  0.118078     24.000000
 -0.101210  0.000000  0.101210     12.000000
  0.000000  0.134946  0.000000      6.000000
  0.016868  0.151814 -0.016868     24.000000
 -0.151814 -0.016868  0.151814     24.000000
 -0.134946  0.000000  0.134946     12.000000
  0.000000  0.168683  0.000000      6.000000
 -0.168683 -0.000000  0.168683     12.000000
  0.033737  0.067473  0.000000     24.000000
  0.050605  0.084341 -0.016868     48.000000
  0.067473  0.101210 -0.033737     48.000000
 -0.101210 -0.067473  0.134946     48.000000
  0.033737  0.101210  0.000000     24.000000
  0.050605  0.118078 -0.016868     48.000000
 -0.118078 -0.050605  0.151814     48.000000
 -0.101210 -0.033737  0.134946     48.000000
 -0.084341 -0.016868  0.118078     48.000000
 -0.067473  0.000000  0.101210     24.000000
  0.033737  0.134946  0.000000     24.000000
 -0.134946 -0.033737  0.168683     48.000000
 -0.118078 -0.016868  0.151814     48.000000
 -0.101210  0.000000  0.134946     24.000000
 -0.151814 -0.016868  0.185551     24.000000
 -0.134946  0.000000  0.168683     24.000000
 -0.118078 -0.050605  0.185551     24.000000
 -0.101210 -0.033737  0.168683     48.000000
 -0.118078 -0.016868  0.185551     24.000000
 -0.101210  0.000000  0.168683     24.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found   1331 k-points in 1st BZ
 the following   1331 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00075131   1 t-inv F
  0.090909 -0.000000 -0.000000    0.00075131   2 t-inv F
  0.181818 -0.000000 -0.000000    0.00075131   3 t-inv F
  0.272727  0.000000  0.000000    0.00075131   4 t-inv F
  0.363636 -0.000000 -0.000000    0.00075131   5 t-inv F
  0.454545 -0.000000 -0.000000    0.00075131   6 t-inv F
  0.090909  0.090909  0.000000    0.00075131   7 t-inv F
  0.181818  0.090909  0.000000    0.00075131   8 t-inv F
  0.272727  0.090909 -0.000000    0.00075131   9 t-inv F
  0.363636  0.090909  0.000000    0.00075131  10 t-inv F
  0.454545  0.090909 -0.000000    0.00075131  11 t-inv F
 -0.454545  0.090909 -0.000000    0.00075131  12 t-inv F
 -0.363636  0.090909 -0.000000    0.00075131  13 t-inv F
 -0.272727  0.090909  0.000000    0.00075131  14 t-inv F
 -0.181818  0.090909 -0.000000    0.00075131  15 t-inv F
 -0.090909  0.090909 -0.000000    0.00075131  16 t-inv F
  0.181818  0.181818  0.000000    0.00075131  17 t-inv F
  0.272727  0.181818  0.000000    0.00075131  18 t-inv F
  0.363636  0.181818  0.000000    0.00075131  19 t-inv F
  0.454545  0.181818  0.000000    0.00075131  20 t-inv F
 -0.454545  0.181818 -0.000000    0.00075131  21 t-inv F
 -0.363636  0.181818 -0.000000    0.00075131  22 t-inv F
 -0.272727  0.181818 -0.000000    0.00075131  23 t-inv F
 -0.181818  0.181818 -0.000000    0.00075131  24 t-inv F
  0.272727  0.272727  0.000000    0.00075131  25 t-inv F
  0.363636  0.272727  0.000000    0.00075131  26 t-inv F
  0.454545  0.272727  0.000000    0.00075131  27 t-inv F
 -0.454545  0.272727  0.000000    0.00075131  28 t-inv F
 -0.363636  0.272727  0.000000    0.00075131  29 t-inv F
 -0.272727  0.272727  0.000000    0.00075131  30 t-inv F
  0.363636  0.363636  0.000000    0.00075131  31 t-inv F
  0.454545  0.363636  0.000000    0.00075131  32 t-inv F
 -0.454545  0.363636  0.000000    0.00075131  33 t-inv F
 -0.363636  0.363636 -0.000000    0.00075131  34 t-inv F
  0.454545  0.454545  0.000000    0.00075131  35 t-inv F
 -0.454545  0.454545  0.000000    0.00075131  36 t-inv F
  0.272727  0.181818  0.090909    0.00075131  37 t-inv F
  0.363636  0.181818  0.090909    0.00075131  38 t-inv F
  0.454545  0.181818  0.090909    0.00075131  39 t-inv F
 -0.454545  0.181818  0.090909    0.00075131  40 t-inv F
  0.363636  0.272727  0.090909    0.00075131  41 t-inv F
  0.454545  0.272727  0.090909    0.00075131  42 t-inv F
 -0.454545  0.272727  0.090909    0.00075131  43 t-inv F
 -0.363636  0.272727  0.090909    0.00075131  44 t-inv F
 -0.272727  0.272727  0.090909    0.00075131  45 t-inv F
 -0.181818  0.272727  0.090909    0.00075131  46 t-inv F
  0.454545  0.363636  0.090909    0.00075131  47 t-inv F
 -0.454545  0.363636  0.090909    0.00075131  48 t-inv F
 -0.363636  0.363636  0.090909    0.00075131  49 t-inv F
 -0.272727  0.363636  0.090909    0.00075131  50 t-inv F
 -0.454545  0.454545  0.090909    0.00075131  51 t-inv F
 -0.363636  0.454545  0.090909    0.00075131  52 t-inv F
 -0.454545  0.363636  0.181818    0.00075131  53 t-inv F
 -0.363636  0.363636  0.181818    0.00075131  54 t-inv F
 -0.363636  0.454545  0.181818    0.00075131  55 t-inv F
 -0.272727  0.454545  0.181818    0.00075131  56 t-inv F
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  0.363636 -0.363636  0.090909    0.00075131  49 t-inv F
  0.090909  0.363636 -0.363636    0.00075131  49 t-inv F
  0.363636 -0.363636 -0.090909    0.00075131  49 t-inv F
 -0.090909  0.363636 -0.363636    0.00075131  49 t-inv F
 -0.363636 -0.090909  0.363636    0.00075131  49 t-inv F
  0.363636  0.272727  0.727273    0.00075131  49 t-inv F
 -0.363636 -0.727273 -0.454545    0.00075131  49 t-inv F
  0.090909  0.454545 -0.272727    0.00075131  49 t-inv F
 -0.272727  0.454545  0.090909    0.00075131  49 t-inv F
  0.727273  0.272727  0.363636    0.00075131  49 t-inv F
 -0.454545 -0.727273 -0.363636    0.00075131  49 t-inv F
 -0.454545 -0.363636 -0.727273    0.00075131  49 t-inv F
 -0.272727  0.090909  0.454545    0.00075131  49 t-inv F
  0.727273  0.363636  0.272727    0.00075131  49 t-inv F
  0.090909 -0.272727  0.454545    0.00075131  49 t-inv F
  0.363636  0.727273  0.272727    0.00075131  49 t-inv F
 -0.363636 -0.454545 -0.727273    0.00075131  49 t-inv F
 -0.727273 -0.454545 -0.363636    0.00075131  49 t-inv F
  0.454545 -0.272727  0.090909    0.00075131  49 t-inv F
  0.272727  0.727273  0.363636    0.00075131  49 t-inv F
  0.454545  0.090909 -0.272727    0.00075131  49 t-inv F
  0.272727  0.363636  0.727273    0.00075131  49 t-inv F
 -0.727273 -0.363636 -0.454545    0.00075131  49 t-inv F
  0.363636 -0.090909 -0.363636    0.00075131  49 t-inv F
 -0.363636  0.363636 -0.090909    0.00075131  49 t-inv F
 -0.090909 -0.363636  0.363636    0.00075131  49 t-inv F
  0.090909 -0.272727  0.363636    0.00075131  50 t-inv F
  0.363636  0.090909 -0.272727    0.00075131  50 t-inv F
 -0.363636 -0.272727 -0.636364    0.00075131  50 t-inv F
  0.272727  0.636364  0.363636    0.00075131  50 t-inv F
 -0.090909 -0.363636  0.272727    0.00075131  50 t-inv F
  0.272727 -0.363636 -0.090909    0.00075131  50 t-inv F
 -0.636364 -0.272727 -0.363636    0.00075131  50 t-inv F
  0.363636  0.636364  0.272727    0.00075131  50 t-inv F
  0.363636  0.272727  0.636364    0.00075131  50 t-inv F
  0.272727 -0.090909 -0.363636    0.00075131  50 t-inv F
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  0.272727  0.363636  0.636364    0.00075131  50 t-inv F
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  0.363636 -0.272727  0.090909    0.00075131  50 t-inv F
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  0.454545  0.909091  0.545455    0.00075131  51 t-inv F
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  0.545455  0.909091  0.454545    0.00075131  51 t-inv F
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  0.454545  0.545455  0.909091    0.00075131  51 t-inv F
  0.909091  0.545455  0.454545    0.00075131  51 t-inv F
 -0.545455  0.363636 -0.090909    0.00075131  51 t-inv F
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  0.909091  0.454545  0.545455    0.00075131  51 t-inv F
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  0.454545 -0.454545  0.090909    0.00075131  51 t-inv F
  0.090909  0.454545 -0.454545    0.00075131  51 t-inv F
  0.090909 -0.363636  0.454545    0.00075131  52 t-inv F
  0.454545  0.090909 -0.363636    0.00075131  52 t-inv F
 -0.454545 -0.363636 -0.818182    0.00075131  52 t-inv F
  0.363636  0.818182  0.454545    0.00075131  52 t-inv F
 -0.090909 -0.454545  0.363636    0.00075131  52 t-inv F
  0.363636 -0.454545 -0.090909    0.00075131  52 t-inv F
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  0.454545  0.818182  0.363636    0.00075131  52 t-inv F
  0.454545  0.363636  0.818182    0.00075131  52 t-inv F
  0.363636 -0.090909 -0.454545    0.00075131  52 t-inv F
 -0.818182 -0.454545 -0.363636    0.00075131  52 t-inv F
 -0.090909  0.363636 -0.454545    0.00075131  52 t-inv F
 -0.454545 -0.818182 -0.363636    0.00075131  52 t-inv F
  0.363636  0.454545  0.818182    0.00075131  52 t-inv F
  0.818182  0.454545  0.363636    0.00075131  52 t-inv F
 -0.454545  0.363636 -0.090909    0.00075131  52 t-inv F
 -0.363636 -0.818182 -0.454545    0.00075131  52 t-inv F
 -0.454545 -0.090909  0.363636    0.00075131  52 t-inv F
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  0.818182  0.363636  0.454545    0.00075131  52 t-inv F
 -0.363636  0.090909  0.454545    0.00075131  52 t-inv F
  0.454545 -0.363636  0.090909    0.00075131  52 t-inv F
  0.090909  0.454545 -0.363636    0.00075131  52 t-inv F
  0.181818 -0.454545  0.363636    0.00075131  53 t-inv F
  0.363636  0.181818 -0.454545    0.00075131  53 t-inv F
 -0.363636 -0.181818 -0.818182    0.00075131  53 t-inv F
  0.454545  0.818182  0.636364    0.00075131  53 t-inv F
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  0.181818 -0.636364 -0.181818    0.00075131  53 t-inv F
 -0.818182 -0.181818 -0.363636    0.00075131  53 t-inv F
  0.636364  0.818182  0.454545    0.00075131  53 t-inv F
  0.636364  0.454545  0.818182    0.00075131  53 t-inv F
  0.181818 -0.181818 -0.636364    0.00075131  53 t-inv F
 -0.818182 -0.363636 -0.181818    0.00075131  53 t-inv F
 -0.181818  0.181818 -0.636364    0.00075131  53 t-inv F
 -0.363636 -0.818182 -0.181818    0.00075131  53 t-inv F
  0.454545  0.636364  0.818182    0.00075131  53 t-inv F
  0.818182  0.636364  0.454545    0.00075131  53 t-inv F
 -0.636364  0.181818 -0.181818    0.00075131  53 t-inv F
 -0.181818 -0.818182 -0.363636    0.00075131  53 t-inv F
 -0.636364 -0.181818  0.181818    0.00075131  53 t-inv F
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  0.818182  0.454545  0.636364    0.00075131  53 t-inv F
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  0.363636 -0.454545  0.181818    0.00075131  53 t-inv F
  0.181818  0.363636 -0.454545    0.00075131  53 t-inv F
  0.181818 -0.363636  0.363636    0.00075131  54 t-inv F
  0.363636  0.181818 -0.363636    0.00075131  54 t-inv F
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 -0.727273 -0.363636 -0.181818    0.00075131  54 t-inv F
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  0.727273  0.545455  0.363636    0.00075131  54 t-inv F
 -0.545455  0.181818 -0.181818    0.00075131  54 t-inv F
 -0.181818 -0.727273 -0.363636    0.00075131  54 t-inv F
 -0.545455 -0.181818  0.181818    0.00075131  54 t-inv F
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  0.363636  0.181818  0.727273    0.00075131  54 t-inv F
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  0.181818  0.545455 -0.181818    0.00075131  54 t-inv F
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  0.727273  0.363636  0.181818    0.00075131  54 t-inv F
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  0.363636  0.727273  0.181818    0.00075131  54 t-inv F
 -0.363636 -0.545455 -0.727273    0.00075131  54 t-inv F
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  0.363636 -0.181818 -0.363636    0.00075131  54 t-inv F
 -0.363636  0.363636 -0.181818    0.00075131  54 t-inv F
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  0.181818 -0.363636  0.454545    0.00075131  55 t-inv F
  0.454545  0.181818 -0.363636    0.00075131  55 t-inv F
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  0.363636  0.818182  0.545455    0.00075131  55 t-inv F
 -0.181818 -0.545455  0.272727    0.00075131  55 t-inv F
  0.272727 -0.545455 -0.181818    0.00075131  55 t-inv F
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  0.818182  0.545455  0.363636    0.00075131  55 t-inv F
 -0.545455  0.272727 -0.181818    0.00075131  55 t-inv F
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  0.454545 -0.363636  0.181818    0.00075131  55 t-inv F
  0.181818  0.454545 -0.363636    0.00075131  55 t-inv F
  0.181818 -0.272727  0.454545    0.00075131  56 t-inv F
  0.454545  0.181818 -0.272727    0.00075131  56 t-inv F
 -0.454545 -0.272727 -0.727273    0.00075131  56 t-inv F
  0.272727  0.727273  0.454545    0.00075131  56 t-inv F
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  0.272727 -0.454545 -0.181818    0.00075131  56 t-inv F
 -0.727273 -0.272727 -0.454545    0.00075131  56 t-inv F
  0.454545  0.727273  0.272727    0.00075131  56 t-inv F
  0.454545  0.272727  0.727273    0.00075131  56 t-inv F
  0.272727 -0.181818 -0.454545    0.00075131  56 t-inv F
 -0.727273 -0.454545 -0.272727    0.00075131  56 t-inv F
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 -0.454545 -0.727273 -0.272727    0.00075131  56 t-inv F
  0.272727  0.454545  0.727273    0.00075131  56 t-inv F
  0.727273  0.454545  0.272727    0.00075131  56 t-inv F
 -0.454545  0.272727 -0.181818    0.00075131  56 t-inv F
 -0.272727 -0.727273 -0.454545    0.00075131  56 t-inv F
 -0.454545 -0.181818  0.272727    0.00075131  56 t-inv F
 -0.272727 -0.454545 -0.727273    0.00075131  56 t-inv F
  0.727273  0.272727  0.454545    0.00075131  56 t-inv F
 -0.272727  0.181818  0.454545    0.00075131  56 t-inv F
  0.454545 -0.272727  0.181818    0.00075131  56 t-inv F
  0.181818  0.454545 -0.272727    0.00075131  56 t-inv F


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =     56   k-points in BZ     NKDIM =     56   number of bands    NBANDS=     16
   number of dos      NEDOS =   1000   number of ions     NIONS =      2
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  13824
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  12009
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=   48
   support grid    NGXF=    48 NGYF=   48 NGZF=   48
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of  10.47, 10.47, 10.47 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  20.94, 20.94, 20.94 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Si                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = a         normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  350.0 eV  25.72 Ry    5.07 a.u.   5.81  5.81  5.81*2*pi/ulx,y,z
   ENINI  =  350.0     initial cutoff
   ENAUG  =  322.1 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-04   stopping-criterion for IOM
   NSW    =     61    number of steps for IOM
   NBLOCK =      1;   KBLOCK =     61    inner block; outer block 
   IBRION =      6    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      2    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.332E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  28.09
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       8.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =   5.50;   EMAX   =  7.50  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.01  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     48    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.16E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      19.57       132.04
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.964394  1.822440 12.654165  0.930055
  Thomas-Fermi vector in A             =   2.094021
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



--------------------------------------------------------------------------------------------------------


 finite differences with symmetry
 charge density and potential will be updated during run
 non-spin polarized calculation
 RMM-DIIS sequential band-by-band
 perform sub-space diagonalisation
    before iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           12
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.01


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.185550789  0.185550789  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.185550789  0.185550789

  length of vectors
     3.810853002  3.810853002  3.810853002     0.321383394  0.321383394  0.321383394


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.185550789  0.185550789  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.185550789  0.185550789

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.001
   0.01686825  0.01686825 -0.01686825       0.006
   0.03373651  0.03373651 -0.03373651       0.006
   0.05060476  0.05060476 -0.05060476       0.006
   0.06747301  0.06747301 -0.06747301       0.006
   0.08434127  0.08434127 -0.08434127       0.006
   0.00000000  0.03373651  0.00000000       0.005
   0.01686825  0.05060476 -0.01686825       0.018
   0.03373651  0.06747301 -0.03373651       0.018
   0.05060476  0.08434127 -0.05060476       0.018
   0.06747301  0.10120952 -0.06747301       0.018
  -0.10120952 -0.06747301  0.10120952       0.018
  -0.08434127 -0.05060476  0.08434127       0.018
  -0.06747301 -0.03373651  0.06747301       0.018
  -0.05060476 -0.01686825  0.05060476       0.018
  -0.03373651 -0.00000000  0.03373651       0.009
   0.00000000  0.06747301  0.00000000       0.005
   0.01686825  0.08434127 -0.01686825       0.018
   0.03373651  0.10120952 -0.03373651       0.018
   0.05060476  0.11807777 -0.05060476       0.018
  -0.11807777 -0.05060476  0.11807777       0.018
  -0.10120952 -0.03373651  0.10120952       0.018
  -0.08434127 -0.01686825  0.08434127       0.018
  -0.06747301 -0.00000000  0.06747301       0.009
   0.00000000  0.10120952  0.00000000       0.005
   0.01686825  0.11807777 -0.01686825       0.018
   0.03373651  0.13494603 -0.03373651       0.018
  -0.13494603 -0.03373651  0.13494603       0.018
  -0.11807777 -0.01686825  0.11807777       0.018
  -0.10120952 -0.00000000  0.10120952       0.009
   0.00000000  0.13494603  0.00000000       0.005
   0.01686825  0.15181428 -0.01686825       0.018
  -0.15181428 -0.01686825  0.15181428       0.018
  -0.13494603 -0.00000000  0.13494603       0.009
   0.00000000  0.16868254  0.00000000       0.005
  -0.16868254 -0.00000000  0.16868254       0.009
   0.03373651  0.06747301 -0.00000000       0.018
   0.05060476  0.08434127 -0.01686825       0.036
   0.06747301  0.10120952 -0.03373651       0.036
  -0.10120952 -0.06747301  0.13494603       0.036
   0.03373651  0.10120952  0.00000000       0.018
   0.05060476  0.11807777 -0.01686825       0.036
  -0.11807777 -0.05060476  0.15181428       0.036
  -0.10120952 -0.03373651  0.13494603       0.036
  -0.08434127 -0.01686825  0.11807777       0.036
  -0.06747301 -0.00000000  0.10120952       0.018
   0.03373651  0.13494603  0.00000000       0.018
  -0.13494603 -0.03373651  0.16868254       0.036
  -0.11807777 -0.01686825  0.15181428       0.036
  -0.10120952 -0.00000000  0.13494603       0.018
  -0.15181428 -0.01686825  0.18555079       0.018
  -0.13494603  0.00000000  0.16868254       0.018
  -0.11807777 -0.05060476  0.18555079       0.018
  -0.10120952 -0.03373651  0.16868254       0.036
  -0.11807777 -0.01686825  0.18555079       0.018
  -0.10120952  0.00000000  0.16868254       0.018
 
 k-points in reciprocal lattice and weights: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.001
   0.09090909 -0.00000000 -0.00000000       0.006
   0.18181818 -0.00000000 -0.00000000       0.006
   0.27272727  0.00000000  0.00000000       0.006
   0.36363636 -0.00000000 -0.00000000       0.006
   0.45454545 -0.00000000 -0.00000000       0.006
   0.09090909  0.09090909  0.00000000       0.005
   0.18181818  0.09090909  0.00000000       0.018
   0.27272727  0.09090909 -0.00000000       0.018
   0.36363636  0.09090909  0.00000000       0.018
   0.45454545  0.09090909 -0.00000000       0.018
  -0.45454545  0.09090909 -0.00000000       0.018
  -0.36363636  0.09090909 -0.00000000       0.018
  -0.27272727  0.09090909  0.00000000       0.018
  -0.18181818  0.09090909 -0.00000000       0.018
  -0.09090909  0.09090909 -0.00000000       0.009
   0.18181818  0.18181818  0.00000000       0.005
   0.27272727  0.18181818  0.00000000       0.018
   0.36363636  0.18181818  0.00000000       0.018
   0.45454545  0.18181818  0.00000000       0.018
  -0.45454545  0.18181818 -0.00000000       0.018
  -0.36363636  0.18181818 -0.00000000       0.018
  -0.27272727  0.18181818 -0.00000000       0.018
  -0.18181818  0.18181818 -0.00000000       0.009
   0.27272727  0.27272727  0.00000000       0.005
   0.36363636  0.27272727  0.00000000       0.018
   0.45454545  0.27272727  0.00000000       0.018
  -0.45454545  0.27272727  0.00000000       0.018
  -0.36363636  0.27272727  0.00000000       0.018
  -0.27272727  0.27272727  0.00000000       0.009
   0.36363636  0.36363636  0.00000000       0.005
   0.45454545  0.36363636  0.00000000       0.018
  -0.45454545  0.36363636  0.00000000       0.018
  -0.36363636  0.36363636 -0.00000000       0.009
   0.45454545  0.45454545  0.00000000       0.005
  -0.45454545  0.45454545  0.00000000       0.009
   0.27272727  0.18181818  0.09090909       0.018
   0.36363636  0.18181818  0.09090909       0.036
   0.45454545  0.18181818  0.09090909       0.036
  -0.45454545  0.18181818  0.09090909       0.036
   0.36363636  0.27272727  0.09090909       0.018
   0.45454545  0.27272727  0.09090909       0.036
  -0.45454545  0.27272727  0.09090909       0.036
  -0.36363636  0.27272727  0.09090909       0.036
  -0.27272727  0.27272727  0.09090909       0.036
  -0.18181818  0.27272727  0.09090909       0.018
   0.45454545  0.36363636  0.09090909       0.018
  -0.45454545  0.36363636  0.09090909       0.036
  -0.36363636  0.36363636  0.09090909       0.036
  -0.27272727  0.36363636  0.09090909       0.018
  -0.45454545  0.45454545  0.09090909       0.018
  -0.36363636  0.45454545  0.09090909       0.018
  -0.45454545  0.36363636  0.18181818       0.018
  -0.36363636  0.36363636  0.18181818       0.036
  -0.36363636  0.45454545  0.18181818       0.018
  -0.27272727  0.45454545  0.18181818       0.018
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.25000000  0.25000000  0.25000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.34734000  1.34734000  1.34734000
 


--------------------------------------------------------------------------------------------------------


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     561
 k-point  2 :   0.0909-0.0000-0.0000  plane waves:     573
 k-point  3 :   0.1818-0.0000-0.0000  plane waves:     576
 k-point  4 :   0.2727 0.0000 0.0000  plane waves:     577
 k-point  5 :   0.3636-0.0000-0.0000  plane waves:     595
 k-point  6 :   0.4545-0.0000-0.0000  plane waves:     586
 k-point  7 :   0.0909 0.0909 0.0000  plane waves:     569
 k-point  8 :   0.1818 0.0909 0.0000  plane waves:     571
 k-point  9 :   0.2727 0.0909-0.0000  plane waves:     579
 k-point 10 :   0.3636 0.0909 0.0000  plane waves:     588
 k-point 11 :   0.4545 0.0909-0.0000  plane waves:     587
 k-point 12 :  -0.4545 0.0909-0.0000  plane waves:     577
 k-point 13 :  -0.3636 0.0909-0.0000  plane waves:     584
 k-point 14 :  -0.2727 0.0909 0.0000  plane waves:     584
 k-point 15 :  -0.1818 0.0909-0.0000  plane waves:     572
 k-point 16 :  -0.0909 0.0909-0.0000  plane waves:     573
 k-point 17 :   0.1818 0.1818 0.0000  plane waves:     572
 k-point 18 :   0.2727 0.1818 0.0000  plane waves:     576
 k-point 19 :   0.3636 0.1818 0.0000  plane waves:     579
 k-point 20 :   0.4545 0.1818 0.0000  plane waves:     584
 k-point 21 :  -0.4545 0.1818-0.0000  plane waves:     578
 k-point 22 :  -0.3636 0.1818-0.0000  plane waves:     585
 k-point 23 :  -0.2727 0.1818-0.0000  plane waves:     583
 k-point 24 :  -0.1818 0.1818-0.0000  plane waves:     582
 k-point 25 :   0.2727 0.2727 0.0000  plane waves:     576
 k-point 26 :   0.3636 0.2727 0.0000  plane waves:     581
 k-point 27 :   0.4545 0.2727 0.0000  plane waves:     586
 k-point 28 :  -0.4545 0.2727 0.0000  plane waves:     574
 k-point 29 :  -0.3636 0.2727 0.0000  plane waves:     579
 k-point 30 :  -0.2727 0.2727 0.0000  plane waves:     580
 k-point 31 :   0.3636 0.3636 0.0000  plane waves:     576
 k-point 32 :   0.4545 0.3636 0.0000  plane waves:     585
 k-point 33 :  -0.4545 0.3636 0.0000  plane waves:     585
 k-point 34 :  -0.3636 0.3636-0.0000  plane waves:     584
 k-point 35 :   0.4545 0.4545 0.0000  plane waves:     588
 k-point 36 :  -0.4545 0.4545 0.0000  plane waves:     590
 k-point 37 :   0.2727 0.1818 0.0909  plane waves:     579
 k-point 38 :   0.3636 0.1818 0.0909  plane waves:     583
 k-point 39 :   0.4545 0.1818 0.0909  plane waves:     584
 k-point 40 :  -0.4545 0.1818 0.0909  plane waves:     582
 k-point 41 :   0.3636 0.2727 0.0909  plane waves:     582
 k-point 42 :   0.4545 0.2727 0.0909  plane waves:     585
 k-point 43 :  -0.4545 0.2727 0.0909  plane waves:     579
 k-point 44 :  -0.3636 0.2727 0.0909  plane waves:     575
 k-point 45 :  -0.2727 0.2727 0.0909  plane waves:     582
 k-point 46 :  -0.1818 0.2727 0.0909  plane waves:     580
 k-point 47 :   0.4545 0.3636 0.0909  plane waves:     584
 k-point 48 :  -0.4545 0.3636 0.0909  plane waves:     583
 k-point 49 :  -0.3636 0.3636 0.0909  plane waves:     584
 k-point 50 :  -0.2727 0.3636 0.0909  plane waves:     582
 k-point 51 :  -0.4545 0.4545 0.0909  plane waves:     585
 k-point 52 :  -0.3636 0.4545 0.0909  plane waves:     588
 k-point 53 :  -0.4545 0.3636 0.1818  plane waves:     577
 k-point 54 :  -0.3636 0.3636 0.1818  plane waves:     579
 k-point 55 :  -0.3636 0.4545 0.1818  plane waves:     584
 k-point 56 :  -0.2727 0.4545 0.1818  plane waves:     589

 maximum and minimum number of plane-waves per node :       595      561

 maximum number of plane-waves:       595
 maximum index in each direction: 
   IXMAX=    6   IYMAX=    5   IZMAX=    5
   IXMIN=   -6   IYMIN=   -6   IZMIN=   -5


 serial   3D FFT for wavefunctions
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP MPI-rank0    33970. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       2198. kBytes
   fftplans  :        304. kBytes
   grid      :        903. kBytes
   one-center:          6. kBytes
   wavefun   :        559. kBytes
 
     INWAV:  cpu time    0.0700: real time    0.1018
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 11   NGY = 11   NGZ = 11
  (NGX  = 48   NGY  = 48   NGZ  = 48)
  gives a total of   1331 points

 charge density for first step will be calculated from the start-wavefunctions


--------------------------------------------------------------------------------------------------------


 Maximum index for augmentation-charges          739 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.522
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0020: real time    0.0017


--------------------------------------- Iteration      1(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0080: real time    0.0094
    SETDIJ:  cpu time    0.0020: real time    0.0020
    EDDIAG:  cpu time    0.0950: real time    0.0950
  RMM-DIIS:  cpu time    0.0260: real time    0.0257
    ORTHCH:  cpu time    0.0470: real time    0.0485
       DOS:  cpu time    0.0020: real time    0.0008
    CHARGE:  cpu time    0.0110: real time    0.0115
    MIXING:  cpu time    0.0010: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time    0.1920: real time    0.1932

 eigenvalue-minimisations  :    16
 total energy-change (2. order) :-0.1082489E+02  ( 0.0000000E+00)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595518 magnetization 

 Broyden mixing:
  rms(total) = 0.74731E-07    rms(broyden)= 0.74730E-07
  rms(prec ) = 0.30521E-06
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28707311
  -Hartree energ DENC   =       -14.65096889
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85677404
  PAW double counting   =        75.11161192      -40.17049090
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45672394
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82489478 eV

  energy without entropy =      -10.82489478  energy(sigma->0) =      -10.82489478


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0052
    SETDIJ:  cpu time    0.0020: real time    0.0014
    EDDIAG:  cpu time    0.0910: real time    0.0912
  RMM-DIIS:  cpu time    0.0320: real time    0.0322
    ORTHCH:  cpu time    0.0490: real time    0.0485
       DOS:  cpu time    0.0000: real time    0.0007
    --------------------------------------------
      LOOP:  cpu time    0.1780: real time    0.1792

 eigenvalue-minimisations  :     8
 total energy-change (2. order) : 0.5556444E-10  ( 0.0000000E+00)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595518 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28707311
  -Hartree energ DENC   =       -14.65096811
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85677412
  PAW double counting   =        75.11161068      -40.17048962
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45672320
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82489478 eV

  energy without entropy =      -10.82489478  energy(sigma->0) =      -10.82489478


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9890       2 -82.9890
 
 
 
 E-fermi :   6.1006     XC(G=0):  -9.4993     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0565      2.00000
      2       6.0611      2.00000
      3       6.0611      2.00000
      4       6.0611      2.00000
      5       8.6375      0.00000
      6       8.6375      0.00000
      7       8.6375      0.00000
      8       9.7008      0.00000
      9      13.8041      0.00000
     10      13.8041      0.00000
     11      14.1126      0.00000
     12      17.3944      0.00000
     13      17.3944      0.00000
     14      17.3944      0.00000
     15      21.6161      0.00000
     16      29.4668      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9461      2.00000
      2       5.0730      2.00000
      3       5.8894      2.00000
      4       5.8894      2.00000
      5       8.7069      0.00000
      6       8.8899      0.00000
      7       8.8899      0.00000
      8      10.4362      0.00000
      9      13.4839      0.00000
     10      13.4839      0.00000
     11      14.5728      0.00000
     12      17.0205      0.00000
     13      18.0712      0.00000
     14      18.0712      0.00000
     15      22.3339      0.00000
     16      28.2996      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6189      2.00000
      2       3.3732      2.00000
      3       5.5414      2.00000
      4       5.5414      2.00000
      5       8.4304      0.00000
      6       9.3709      0.00000
      7       9.3709      0.00000
      8      11.9959      0.00000
      9      13.1234      0.00000
     10      13.1234      0.00000
     11      15.2985      0.00000
     12      16.9158      0.00000
     13      19.5913      0.00000
     14      19.5913      0.00000
     15      23.8749      0.00000
     16      25.8589      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0913      2.00000
      2       1.6838      2.00000
      3       5.2126      2.00000
      4       5.2126      2.00000
      5       8.0919      0.00000
      6       9.6094      0.00000
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      8      13.4271      0.00000
      9      13.4271      0.00000
     10      13.5218      0.00000
     11      15.0737      0.00000
     12      18.5591      0.00000
     13      21.1669      0.00000
     14      21.1669      0.00000
     15      23.7254      0.00000
     16      23.7254      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4141      2.00000
      2       0.1971      2.00000
      3       4.9779      2.00000
      4       4.9779      2.00000
      5       7.8342      0.00000
      6       9.5295      0.00000
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      8      14.0132      0.00000
      9      14.5171      0.00000
     10      14.5171      0.00000
     11      15.7787      0.00000
     12      20.2302      0.00000
     13      20.2302      0.00000
     14      20.3537      0.00000
     15      22.9564      0.00000
     16      24.5398      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.7830      2.00000
      2      -0.8464      2.00000
      3       4.8586      2.00000
      4       4.8586      2.00000
      5       7.7000      0.00000
      6       9.4101      0.00000
      7       9.4101      0.00000
      8      13.8480      0.00000
      9      16.0803      0.00000
     10      16.0803      0.00000
     11      17.2459      0.00000
     12      18.2068      0.00000
     13      18.2068      0.00000
     14      19.7574      0.00000
     15      24.6062      0.00000
     16      26.8682      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9091      2.00000
      2       5.2777      2.00000
      3       5.5523      2.00000
      4       5.5523      2.00000
      5       8.3094      0.00000
      6       9.3264      0.00000
      7       9.3264      0.00000
      8      10.3999      0.00000
      9      12.9257      0.00000
     10      13.9650      0.00000
     11      14.7284      0.00000
     12      17.6492      0.00000
     13      17.6492      0.00000
     14      18.0159      0.00000
     15      22.6405      0.00000
     16      27.8761      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6534      2.00000
      2       3.8902      2.00000
      3       5.1460      2.00000
      4       5.3471      2.00000
      5       8.3507      0.00000
      6       9.4472      0.00000
      7       9.9317      0.00000
      8      11.1607      0.00000
      9      12.7901      0.00000
     10      13.9205      0.00000
     11      15.5549      0.00000
     12      17.2447      0.00000
     13      18.5170      0.00000
     14      19.4432      0.00000
     15      23.9880      0.00000
     16      25.7429      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1902      2.00000
      2       2.2369      2.00000
      3       4.8212      2.00000
      4       4.9692      2.00000
      5       8.5106      0.00000
      6       9.4174      0.00000
      7      10.2778      0.00000
      8      11.4470      0.00000
      9      14.0120      0.00000
     10      14.1213      0.00000
     11      15.7053      0.00000
     12      18.0737      0.00000
     13      20.0197      0.00000
     14      21.2558      0.00000
     15      23.3578      0.00000
     16      23.9971      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5532      2.00000
      2       0.6961      2.00000
      3       4.5804      2.00000
      4       4.6326      2.00000
      5       8.3840      0.00000
      6       9.4051      0.00000
      7      10.1872      0.00000
      8      12.2355      0.00000
      9      15.0159      0.00000
     10      15.0640      0.00000
     11      15.8851      0.00000
     12      19.7800      0.00000
     13      19.9272      0.00000
     14      21.4452      0.00000
     15      23.1188      0.00000
     16      23.6484      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.8632      2.00000
      2      -0.5276      2.00000
      3       4.2755      2.00000
      4       4.5938      2.00000
      5       8.2548      0.00000
      6       9.3399      0.00000
      7       9.9319      0.00000
      8      13.5098      0.00000
      9      14.8887      0.00000
     10      16.5005      0.00000
     11      17.4318      0.00000
     12      17.9817      0.00000
     13      18.9082      0.00000
     14      21.2561      0.00000
     15      23.8027      0.00000
     16      25.2829      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.5823      2.00000
      2      -0.9427      2.00000
      3       4.0918      2.00000
      4       4.6997      2.00000
      5       8.2380      0.00000
      6       9.3863      0.00000
      7       9.7386      0.00000
      8      14.2041      0.00000
      9      15.4994      0.00000
     10      15.7907      0.00000
     11      17.2110      0.00000
     12      18.5659      0.00000
     13      18.9591      0.00000
     14      20.0306      0.00000
     15      25.2176      0.00000
     16      26.3841      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0838      2.00000
      2      -0.1703      2.00000
      3       4.0513      2.00000
      4       4.9334      2.00000
      5       8.3470      0.00000
      6       9.5802      0.00000
      7       9.6646      0.00000
      8      13.9294      0.00000
      9      14.1113      0.00000
     10      15.3442      0.00000
     11      17.5183      0.00000
     12      18.1391      0.00000
     13      20.6023      0.00000
     14      20.9447      0.00000
     15      23.0448      0.00000
     16      24.4526      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7822      2.00000
      2       1.1897      2.00000
      3       4.1704      2.00000
      4       5.2653      2.00000
      5       8.5682      0.00000
      6       9.6141      0.00000
      7       9.8116      0.00000
      8      12.8837      0.00000
      9      12.8934      0.00000
     10      15.4875      0.00000
     11      15.8456      0.00000
     12      19.0464      0.00000
     13      20.3558      0.00000
     14      22.2046      0.00000
     15      22.2406      0.00000
     16      24.0668      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3674      2.00000
      2       2.7738      2.00000
      3       4.4673      2.00000
      4       5.6377      2.00000
      5       8.8632      0.00000
      6       9.3451      0.00000
      7       9.7173      0.00000
      8      12.0462      0.00000
      9      12.4355      0.00000
     10      14.3823      0.00000
     11      15.8577      0.00000
     12      17.4981      0.00000
     13      19.2954      0.00000
     14      21.1484      0.00000
     15      23.4320      0.00000
     16      24.7294      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7631      2.00000
      2       4.2716      2.00000
      3       5.0389      2.00000
      4       5.9179      2.00000
      5       8.9388      0.00000
      6       9.0982      0.00000
      7       9.1204      0.00000
      8      11.2619      0.00000
      9      12.7796      0.00000
     10      13.6794      0.00000
     11      15.2315      0.00000
     12      17.2263      0.00000
     13      17.9526      0.00000
     14      19.4166      0.00000
     15      23.3435      0.00000
     16      25.9137      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4695      2.00000
      2       3.7778      2.00000
      3       4.7009      2.00000
      4       4.7009      2.00000
      5       7.6452      0.00000
      6      10.2579      0.00000
      7      10.7093      0.00000
      8      10.7093      0.00000
      9      13.0339      0.00000
     10      14.4525      0.00000
     11      16.2368      0.00000
     12      18.3950      0.00000
     13      18.3950      0.00000
     14      19.0074      0.00000
     15      25.1496      0.00000
     16      25.4108      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0740      2.00000
      2       2.5879      2.00000
      3       4.2831      2.00000
      4       4.3507      2.00000
      5       7.6991      0.00000
      6       9.7929      0.00000
      7      11.0034      0.00000
      8      11.2993      0.00000
      9      14.3125      0.00000
     10      14.7852      0.00000
     11      16.9918      0.00000
     12      18.3718      0.00000
     13      19.3229      0.00000
     14      20.6259      0.00000
     15      23.3138      0.00000
     16      23.8430      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4897      2.00000
      2       1.1778      2.00000
      3       3.7447      2.00000
      4       4.1511      2.00000
      5       7.9368      0.00000
      6      10.1558      0.00000
      7      10.8141      0.00000
      8      11.3580      0.00000
      9      15.6366      0.00000
     10      16.0416      0.00000
     11      16.7188      0.00000
     12      19.5719      0.00000
     13      19.6719      0.00000
     14      21.3827      0.00000
     15      22.2589      0.00000
     16      23.6008      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.7908      2.00000
      2      -0.0947      2.00000
      3       3.2590      2.00000
      4       4.1200      2.00000
      5       7.9758      0.00000
      6      10.5880      0.00000
      7      11.0806      0.00000
      8      11.3969      0.00000
      9      16.0849      0.00000
     10      16.9807      0.00000
     11      17.8898      0.00000
     12      17.8962      0.00000
     13      19.0601      0.00000
     14      22.4208      0.00000
     15      23.9875      0.00000
     16      24.3423      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.2898      2.00000
      2      -0.8291      2.00000
      3       2.9145      2.00000
      4       4.2558      2.00000
      5       8.0843      0.00000
      6      10.4544      0.00000
      7      10.7776      0.00000
      8      13.0552      0.00000
      9      15.2877      0.00000
     10      15.6679      0.00000
     11      17.7152      0.00000
     12      18.9967      0.00000
     13      19.8808      0.00000
     14      22.0699      0.00000
     15      25.0680      0.00000
     16      25.3341      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.5860      2.00000
      2      -0.4033      2.00000
      3       2.7531      2.00000
      4       4.5419      2.00000
      5       8.3550      0.00000
      6      10.4342      0.00000
      7      10.5544      0.00000
      8      13.8955      0.00000
      9      13.9371      0.00000
     10      14.8533      0.00000
     11      17.5600      0.00000
     12      20.1424      0.00000
     13      21.0236      0.00000
     14      21.4036      0.00000
     15      22.7570      0.00000
     16      25.1174      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2779      2.00000
      2       0.7473      2.00000
      3       2.8274      2.00000
      4       4.9398      2.00000
      5       8.7503      0.00000
      6      10.3259      0.00000
      7      10.4713      0.00000
      8      12.5387      0.00000
      9      12.5935      0.00000
     10      16.3165      0.00000
     11      18.1630      0.00000
     12      18.2802      0.00000
     13      20.1412      0.00000
     14      22.2361      0.00000
     15      22.9237      0.00000
     16      24.0216      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9096      2.00000
      2       1.9688      2.00000
      3       3.3125      2.00000
      4       5.3649      2.00000
      5       9.1152      0.00000
      6       9.8401      0.00000
      7      10.1549      0.00000
      8      11.8435      0.00000
      9      12.1331      0.00000
     10      16.2459      0.00000
     11      16.8526      0.00000
     12      17.8202      0.00000
     13      19.9535      0.00000
     14      21.2716      0.00000
     15      22.7724      0.00000
     16      24.9724      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7462      2.00000
      2       2.1359      2.00000
      3       3.9642      2.00000
      4       3.9642      2.00000
      5       7.0368      0.00000
      6       8.8419      0.00000
      7      12.3067      0.00000
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      9      14.8520      0.00000
     10      15.2637      0.00000
     11      18.1409      0.00000
     12      19.4440      0.00000
     13      19.4440      0.00000
     14      20.2474      0.00000
     15      23.2495      0.00000
     16      23.2495      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2212      2.00000
      2       1.1599      2.00000
      3       3.4128      2.00000
      4       3.7283      2.00000
      5       7.1696      0.00000
      6       8.5467      0.00000
      7      12.6236      0.00000
      8      12.7663      0.00000
      9      16.0351      0.00000
     10      16.3219      0.00000
     11      18.3317      0.00000
     12      19.5507      0.00000
     13      20.0300      0.00000
     14      21.0376      0.00000
     15      22.0773      0.00000
     16      23.0666      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5449      2.00000
      2       0.1030      2.00000
      3       2.6672      2.00000
      4       3.6667      2.00000
      5       7.3629      0.00000
      6       9.3279      0.00000
      7      12.4792      0.00000
      8      12.6040      0.00000
      9      17.2887      0.00000
     10      17.4039      0.00000
     11      17.8910      0.00000
     12      18.2431      0.00000
     13      19.9161      0.00000
     14      21.9279      0.00000
     15      22.9989      0.00000
     16      24.6902      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9100      2.00000
      2      -0.7266      2.00000
      3       2.0803      2.00000
      4       3.7830      2.00000
      5       7.4999      0.00000
      6      10.8266      0.00000
      7      12.2621      0.00000
      8      12.3244      0.00000
      9      15.7206      0.00000
     10      15.7465      0.00000
     11      19.3340      0.00000
     12      19.3658      0.00000
     13      20.1471      0.00000
     14      23.9169      0.00000
     15      23.9430      0.00000
     16      24.4948      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9661      2.00000
      2      -0.6461      2.00000
      3       1.7848      2.00000
      4       4.0649      2.00000
      5       7.8016      0.00000
      6      11.9145      0.00000
      7      11.9350      0.00000
      8      12.9152      0.00000
      9      13.9080      0.00000
     10      14.0377      0.00000
     11      19.2795      0.00000
     12      21.3943      0.00000
     13      21.5486      0.00000
     14      22.2965      0.00000
     15      22.9362      0.00000
     16      24.1389      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6205      2.00000
      2       0.1349      2.00000
      3       1.9459      2.00000
      4       4.4780      2.00000
      5       8.2686      0.00000
      6      11.3256      0.00000
      7      11.6654      0.00000
      8      12.6370      0.00000
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     10      14.8993      0.00000
     11      19.2597      0.00000
     12      19.9408      0.00000
     13      20.5871      0.00000
     14      23.0073      0.00000
     15      23.4007      0.00000
     16      23.8261      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.7552      2.00000
      2       0.4876      2.00000
      3       3.4477      2.00000
      4       3.4477      2.00000
      5       6.6652      0.00000
      6       7.6778      0.00000
      7      14.0033      0.00000
      8      14.0033      0.00000
      9      16.3956      0.00000
     10      16.8345      0.00000
     11      19.3988      0.00000
     12      19.3988      0.00000
     13      19.8160      0.00000
     14      21.6570      0.00000
     15      21.9260      0.00000
     16      22.9211      0.00000

 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.1187      2.00000
      2      -0.3439      2.00000
      3       2.8937      2.00000
      4       3.3407      2.00000
      5       6.8718      0.00000
      6       7.7045      0.00000
      7      14.3169      0.00000
      8      14.3600      0.00000
      9      17.5890      0.00000
     10      17.8298      0.00000
     11      17.9585      0.00000
     12      18.3796      0.00000
     13      20.9004      0.00000
     14      21.3040      0.00000
     15      21.9567      0.00000
     16      24.0831      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.4248      2.00000
      2      -1.0774      2.00000
      3       2.0873      2.00000
      4       3.4161      2.00000
      5       7.0394      0.00000
      6       8.9247      0.00000
      7      14.0177      0.00000
      8      14.2363      0.00000
      9      15.9386      0.00000
     10      16.0060      0.00000
     11      19.4926      0.00000
     12      20.1145      0.00000
     13      21.5396      0.00000
     14      21.6009      0.00000
     15      22.3366      0.00000
     16      24.4039      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -2.3513      2.00000
      2      -1.1162      2.00000
      3       1.5857      2.00000
      4       3.6665      2.00000
      5       7.3262      0.00000
      6      10.6738      0.00000
      7      13.3495      0.00000
      8      13.9015      0.00000
      9      14.2494      0.00000
     10      14.3576      0.00000
     11      21.1129      0.00000
     12      21.3320      0.00000
     13      21.8176      0.00000
     14      21.8924      0.00000
     15      22.0787      0.00000
     16      23.8128      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.5227      2.00000
      2      -1.0892      2.00000
      3       3.1838      2.00000
      4       3.1838      2.00000
      5       6.6141      0.00000
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      7      15.7490      0.00000
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      9      17.7534      0.00000
     10      17.7534      0.00000
     11      17.8426      0.00000
     12      18.6528      0.00000
     13      19.5998      0.00000
     14      19.9681      0.00000
     15      24.0566      0.00000
     16      24.9247      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -1.8597      2.00000
      2      -1.7485      2.00000
      3       2.7235      2.00000
      4       3.2097      2.00000
      5       6.7948      0.00000
      6       7.3967      0.00000
      7      15.6908      0.00000
      8      15.9907      0.00000
      9      16.3403      0.00000
     10      16.4448      0.00000
     11      19.3366      0.00000
     12      19.4209      0.00000
     13      19.7821      0.00000
     14      20.3106      0.00000
     15      24.1451      0.00000
     16      24.4674      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3283      2.00000
      2       3.0309      2.00000
      3       4.1788      2.00000
      4       5.2277      2.00000
      5       8.4062      0.00000
      6       9.7925      0.00000
      7      10.4959      0.00000
      8      10.8580      0.00000
      9      13.2049      0.00000
     10      14.5870      0.00000
     11      16.4251      0.00000
     12      17.6562      0.00000
     13      18.8557      0.00000
     14      20.8102      0.00000
     15      23.4183      0.00000
     16      25.1220      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8037      2.00000
      2       1.6808      2.00000
      3       3.6121      2.00000
      4       4.8988      2.00000
      5       8.7339      0.00000
      6       9.7072      0.00000
      7      10.7997      0.00000
      8      10.9888      0.00000
      9      13.6997      0.00000
     10      16.1424      0.00000
     11      16.5401      0.00000
     12      18.5012      0.00000
     13      20.0907      0.00000
     14      21.5608      0.00000
     15      22.2441      0.00000
     16      24.3506      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1282      2.00000
      2       0.3022      2.00000
      3       3.3592      2.00000
      4       4.5438      2.00000
      5       8.7917      0.00000
      6       9.4357      0.00000
      7      10.9169      0.00000
      8      11.8455      0.00000
      9      14.7970      0.00000
     10      15.9886      0.00000
     11      17.9255      0.00000
     12      18.1515      0.00000
     13      20.4868      0.00000
     14      21.5541      0.00000
     15      23.1058      0.00000
     16      24.1850      0.00000

 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4928      2.00000
      2      -0.7092      2.00000
      3       3.2632      2.00000
      4       4.3255      2.00000
      5       8.7938      0.00000
      6       9.1892      0.00000
      7      10.8401      0.00000
      8      13.3526      0.00000
      9      14.9149      0.00000
     10      16.0087      0.00000
     11      17.3886      0.00000
     12      18.8046      0.00000
     13      19.8393      0.00000
     14      21.6775      0.00000
     15      24.0454      0.00000
     16      25.8381      0.00000

 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6149      2.00000
      2       1.7354      2.00000
      3       3.4473      2.00000
      4       4.1894      2.00000
      5       7.8274      0.00000
      6       9.3625      0.00000
      7      11.1293      0.00000
      8      12.1839      0.00000
      9      14.6878      0.00000
     10      16.2488      0.00000
     11      17.7120      0.00000
     12      18.6663      0.00000
     13      20.0436      0.00000
     14      21.5327      0.00000
     15      21.6103      0.00000
     16      23.8910      0.00000

 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9821      2.00000
      2       0.6283      2.00000
      3       2.8638      2.00000
      4       3.8639      2.00000
      5       8.1895      0.00000
      6       9.7797      0.00000
      7      10.8136      0.00000
      8      12.5762      0.00000
      9      15.5357      0.00000
     10      16.9307      0.00000
     11      18.1878      0.00000
     12      18.7003      0.00000
     13      20.4059      0.00000
     14      21.0292      0.00000
     15      22.6351      0.00000
     16      24.4882      0.00000

 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.2888      2.00000
      2      -0.4137      2.00000
      3       2.4756      2.00000
      4       3.7026      2.00000
      5       8.3220      0.00000
      6      10.3643      0.00000
      7      11.2174      0.00000
      8      12.5325      0.00000
      9      15.2230      0.00000
     10      16.8845      0.00000
     11      17.9545      0.00000
     12      19.2401      0.00000
     13      20.1520      0.00000
     14      22.6863      0.00000
     15      24.1784      0.00000
     16      24.8405      0.00000

 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.0110      2.00000
      2      -0.7772      2.00000
      3       2.2395      2.00000
      4       3.7956      2.00000
      5       8.5436      0.00000
      6      10.1033      0.00000
      7      12.4031      0.00000
      8      12.9184      0.00000
      9      13.4337      0.00000
     10      16.2058      0.00000
     11      18.3779      0.00000
     12      19.3151      0.00000
     13      22.0244      0.00000
     14      22.4295      0.00000
     15      23.6235      0.00000
     16      24.6333      0.00000

 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5354      2.00000
      2      -0.0627      2.00000
      3       2.2213      2.00000
      4       4.1008      2.00000
      5       8.9227      0.00000
      6       9.9060      0.00000
      7      11.6812      0.00000
      8      12.3183      0.00000
      9      14.6509      0.00000
     10      14.9745      0.00000
     11      18.5845      0.00000
     12      20.4421      0.00000
     13      20.8365      0.00000
     14      21.3672      0.00000
     15      23.8703      0.00000
     16      24.1566      0.00000

 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.2295      2.00000
      2       0.9455      2.00000
      3       2.6010      2.00000
      4       4.5289      2.00000
      5       9.3931      0.00000
      6       9.4864      0.00000
      7      10.7494      0.00000
      8      11.8764      0.00000
      9      13.7041      0.00000
     10      16.6940      0.00000
     11      18.3002      0.00000
     12      18.6480      0.00000
     13      19.7387      0.00000
     14      22.0878      0.00000
     15      22.4789      0.00000
     16      25.1082      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6424      2.00000
      2       0.3477      2.00000
      3       2.9610      2.00000
      4       3.3612      2.00000
      5       7.4557      0.00000
      6       8.2987      0.00000
      7      12.5310      0.00000
      8      13.9657      0.00000
      9      16.3390      0.00000
     10      17.4945      0.00000
     11      18.1592      0.00000
     12      19.4723      0.00000
     13      20.3935      0.00000
     14      21.0116      0.00000
     15      22.4693      0.00000
     16      23.1194      0.00000

 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9435      2.00000
      2      -0.4932      2.00000
      3       2.2966      2.00000
      4       3.1775      2.00000
      5       7.7989      0.00000
      6       9.1438      0.00000
      7      12.1670      0.00000
      8      14.3443      0.00000
      9      15.4982      0.00000
     10      17.4229      0.00000
     11      18.3145      0.00000
     12      20.1924      0.00000
     13      20.7652      0.00000
     14      21.4077      0.00000
     15      23.3557      0.00000
     16      23.9548      0.00000

 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4561      2.00000
      2      -1.0094      2.00000
      3       1.7578      2.00000
      4       3.2980      2.00000
      5       8.0182      0.00000
      6      10.7325      0.00000
      7      11.8664      0.00000
      8      13.4921      0.00000
      9      14.2603      0.00000
     10      16.3363      0.00000
     11      19.3769      0.00000
     12      20.5291      0.00000
     13      21.9381      0.00000
     14      22.3678      0.00000
     15      23.5149      0.00000
     16      24.5796      0.00000

 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8534      2.00000
      2      -0.6002      2.00000
      3       1.6503      2.00000
      4       3.6306      2.00000
      5       8.4028      0.00000
      6      11.1795      0.00000
      7      11.9494      0.00000
      8      12.8417      0.00000
      9      13.7868      0.00000
     10      14.9581      0.00000
     11      20.3829      0.00000
     12      20.8639      0.00000
     13      20.9061      0.00000
     14      22.8993      0.00000
     15      22.9268      0.00000
     16      24.0353      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4457      2.00000
      2      -1.0840      2.00000
      3       2.7642      2.00000
      4       2.8875      2.00000
      5       7.3762      0.00000
      6       7.6425      0.00000
      7      14.0867      0.00000
      8      15.5998      0.00000
      9      16.0401      0.00000
     10      17.5956      0.00000
     11      18.3046      0.00000
     12      19.8496      0.00000
     13      20.1179      0.00000
     14      21.6975      0.00000
     15      22.8326      0.00000
     16      24.3099      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9220      2.00000
      2      -1.5431      2.00000
      3       2.0771      2.00000
      4       2.9625      2.00000
      5       7.6600      0.00000
      6       8.9370      0.00000
      7      13.6203      0.00000
      8      13.8542      0.00000
      9      15.9329      0.00000
     10      16.5653      0.00000
     11      19.2721      0.00000
     12      20.0703      0.00000
     13      21.8382      0.00000
     14      22.5560      0.00000
     15      22.9769      0.00000
     16      23.3666      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3215      2.00000
      2      -0.0581      2.00000
      3       2.1799      2.00000
      4       3.3813      2.00000
      5       9.1512      0.00000
      6       9.7567      0.00000
      7      10.4477      0.00000
      8      13.8483      0.00000
      9      15.1513      0.00000
     10      15.7237      0.00000
     11      19.7511      0.00000
     12      20.3027      0.00000
     13      20.4515      0.00000
     14      20.8565      0.00000
     15      23.0401      0.00000
     16      24.3501      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6670      2.00000
      2      -0.7774      2.00000
      3       1.8927      2.00000
      4       3.0502      2.00000
      5       9.5015      0.00000
      6       9.9101      0.00000
      7      11.2048      0.00000
      8      13.1094      0.00000
      9      14.3198      0.00000
     10      16.8811      0.00000
     11      18.8187      0.00000
     12      20.2418      0.00000
     13      21.7689      0.00000
     14      22.7149      0.00000
     15      23.2462      0.00000
     16      24.9444      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.2504      2.00000
      2      -1.1248      2.00000
      3       2.1251      2.00000
      4       2.5151      2.00000
      5       9.0576      0.00000
      6       9.2576      0.00000
      7      11.7464      0.00000
      8      13.3589      0.00000
      9      15.8421      0.00000
     10      17.3276      0.00000
     11      18.7056      0.00000
     12      20.0607      0.00000
     13      21.8535      0.00000
     14      22.7238      0.00000
     15      23.2329      0.00000
     16      24.5181      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.0417      2.00000
      2      -1.2949      2.00000
      3       1.8334      2.00000
      4       2.5536      2.00000
      5       9.4055      0.00000
      6      10.6815      0.00000
      7      11.5122      0.00000
      8      11.5457      0.00000
      9      15.8677      0.00000
     10      16.9662      0.00000
     11      19.0282      0.00000
     12      20.2294      0.00000
     13      21.8985      0.00000
     14      22.9453      0.00000
     15      24.5200      0.00000
     16      24.5426      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.176  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.176  -0.000   0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.176   0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821   0.000   0.000  -0.000   0.000   0.000   0.000
 -0.821   0.831   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   1.046   0.000  -0.000  -0.589   0.000   0.000
  0.000   0.000  -0.000   1.046   0.000   0.000  -0.589  -0.000
 -0.000   0.000  -0.000   0.000   1.046   0.000  -0.000  -0.589
  0.000  -0.000  -0.589   0.000   0.000   0.391   0.000  -0.000
  0.000  -0.000   0.000  -0.589  -0.000   0.000   0.391   0.000
  0.000   0.000   0.000  -0.000  -0.589  -0.000   0.000   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0110: real time    0.0112
    FORLOC:  cpu time    0.0010: real time    0.0002
    FORNL :  cpu time    0.0040: real time    0.0054
    STRESS:  cpu time    0.0600: real time    0.0601
    FORCOR:  cpu time    0.0050: real time    0.0042
    FORHAR:  cpu time    0.0000: real time    0.0009
    MIXING:  cpu time    0.0010: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.76239   -76.76239   -76.76239    -0.00000     0.00000     0.00000
  Hartree     4.88366     4.88366     4.88366     0.00000     0.00000     0.00000
  E(xc)     -25.50514   -25.50514   -25.50514    -0.00000    -0.00000    -0.00000
  Local     -28.93005   -28.93005   -28.93005     0.00001     0.00001     0.00001
  n-local    80.70273    74.92019    79.30402    -1.34644     0.57471     2.27628
  augment   -11.66288   -11.66288   -11.66288    -0.00001    -0.00001    -0.00001
  Kinetic    56.48574    55.84791    59.44671    -0.60010     1.04120     3.57531
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.03312     1.03312     1.03312    -0.00000    -0.00000    -0.00000
  in kB      42.29685    42.29685    42.29685    -0.00000    -0.00000    -0.00000
  external pressure =       42.30 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.185550789  0.185550789  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.185550789  0.185550789

  length of vectors
     3.810853002  3.810853002  3.810853002     0.321383394  0.321383394  0.321383394


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.132E-06 0.154E-06 0.132E-06   0.759E-15 0.169E-14 0.105E-14   -.151E-16 -.264E-16 -.359E-16   -.241E-11 -.240E-11 -.241E-11
   -.132E-06 -.154E-06 -.132E-06   0.148E-16 -.201E-14 -.957E-15   0.165E-16 0.245E-16 0.512E-16   0.240E-11 0.240E-11 0.240E-11
 -----------------------------------------------------------------------------------------------
   0.775E-15 0.416E-13 -.509E-13   0.774E-15 -.320E-15 0.939E-16   0.138E-17 -.192E-17 0.153E-16   -.347E-14 -.411E-15 -.496E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000     -0.000000     -0.000000
      1.34734      1.34734      1.34734         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82489478 eV

  energy  without entropy=      -10.82489478  energy(sigma->0) =      -10.82489478
 


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0058


--------------------------------------------------------------------------------------------------------



 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      Your timestep is larger than 0.1 Angst.                                |
|      For finite differences this really does not make sense. I will         |
|      reset POTIM to 0.015. I recommend to use 0.01 to 0.02 for finite       |
|      differences.                                                           |
|                                                                             |
 ----------------------------------------------------------------------------- 

 
 
Found     1 degrees of freedom:
 
 
        Directions for atom     1:
        --------------------------
 
              1.0000000000000000      0.0000000000000000      0.0000000000000000
        Strain: 6 additional degrees of freedom
        ---------------------------------------
 Finite differences:
   Step               POTIM =   1.500000000000000E-002
   Degrees of freedom DOF   =            7
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     3.8108530023
 C/A-ratio  =     1.4354267658
  
  Lattice vectors:
  
 A1 = (   2.7351002000,   2.6946800000,   0.0000000000)
 A2 = (   2.7351002000,  -2.6946800000,   0.0000000000)
 A3 = (  -2.7351002000,   0.0000000000,  -2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000    -0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    6     1.000000   180.000000     0.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.000000    -0.707107    -0.707107     0.000000     0.000000     0.000000
    8     1.000000   180.000000     0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
    9    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
   10     1.000000    90.000000    -1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
   11    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
   12     1.000000    90.000000     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
   13     1.000000   180.000000    -0.000000    -0.707107     0.707107     0.250000    -0.750000     0.250000
   14    -1.000000   180.000000     0.000000    -0.000000    -1.000000     0.250000    -0.750000     0.250000
   15     1.000000   180.000000     0.000000    -0.707107    -0.707107     0.250000    -0.750000     0.250000
   16    -1.000000   180.000000     0.000000    -1.000000    -0.000000     0.250000    -0.750000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    126 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000  0.000000      8.000000
  0.181818 -0.000000  0.000000      8.000000
  0.272727  0.000000 -0.000000      8.000000
  0.363636 -0.000000  0.000000      8.000000
  0.454545  0.000000  0.000000      8.000000
  0.090909  0.090909  0.000000      4.000000
  0.181818  0.090909  0.000000     16.000000
  0.272727  0.090909  0.000000     16.000000
  0.363636  0.090909  0.000000     16.000000
  0.454545  0.090909  0.000000     16.000000
 -0.454545  0.090909  0.000000     16.000000
 -0.363636  0.090909  0.000000     16.000000
 -0.272727  0.090909 -0.000000     16.000000
 -0.181818  0.090909  0.000000     16.000000
 -0.090909  0.090909 -0.000000      8.000000
  0.181818  0.181818  0.000000      4.000000
  0.272727  0.181818  0.000000     16.000000
  0.363636  0.181818  0.000000     16.000000
  0.454545  0.181818  0.000000     16.000000
 -0.454545  0.181818 -0.000000     16.000000
 -0.363636  0.181818  0.000000     16.000000
 -0.272727  0.181818 -0.000000     16.000000
 -0.181818  0.181818 -0.000000      8.000000
  0.272727  0.272727  0.000000      4.000000
  0.363636  0.272727  0.000000     16.000000
  0.454545  0.272727  0.000000     16.000000
 -0.454545  0.272727 -0.000000     16.000000
 -0.363636  0.272727 -0.000000     16.000000
 -0.272727  0.272727  0.000000      8.000000
  0.363636  0.363636  0.000000      4.000000
  0.454545  0.363636  0.000000     16.000000
 -0.454545  0.363636  0.000000     16.000000
 -0.363636  0.363636 -0.000000      8.000000
  0.454545  0.454545  0.000000      4.000000
 -0.454545  0.454545  0.000000      8.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818  0.000000  0.090909      8.000000
  0.272727  0.000000  0.090909      8.000000
  0.363636 -0.000000  0.090909      8.000000
  0.454545 -0.000000  0.090909      8.000000
 -0.454545 -0.000000  0.090909      8.000000
 -0.363636  0.000000  0.090909      8.000000
 -0.272727  0.000000  0.090909      8.000000
 -0.181818  0.000000  0.090909      8.000000
 -0.090909  0.000000  0.090909      4.000000
  0.272727  0.181818  0.090909      8.000000
  0.363636  0.181818  0.090909     16.000000
  0.454545  0.181818  0.090909     16.000000
 -0.454545  0.181818  0.090909     16.000000
  0.181818  0.272727  0.090909      8.000000
  0.363636  0.272727  0.090909      8.000000
  0.454545  0.272727  0.090909     16.000000
 -0.454545  0.272727  0.090909     16.000000
 -0.363636  0.272727  0.090909     16.000000
 -0.272727  0.272727  0.090909     16.000000
 -0.181818  0.272727  0.090909      8.000000
  0.181818  0.363636  0.090909     16.000000
  0.272727  0.363636  0.090909      8.000000
  0.454545  0.363636  0.090909      8.000000
 -0.454545  0.363636  0.090909     16.000000
 -0.363636  0.363636  0.090909     16.000000
 -0.272727  0.363636  0.090909      8.000000
  0.181818  0.454545  0.090909     16.000000
  0.272727  0.454545  0.090909     16.000000
  0.363636  0.454545  0.090909      8.000000
 -0.454545  0.454545  0.090909      8.000000
 -0.363636  0.454545  0.090909      8.000000
  0.181818 -0.454545  0.090909     16.000000
  0.272727 -0.454545  0.090909     16.000000
  0.363636 -0.454545  0.090909     16.000000
  0.454545 -0.454545  0.090909      8.000000
  0.181818 -0.363636  0.090909     16.000000
  0.272727 -0.363636  0.090909     16.000000
  0.363636 -0.363636  0.090909     16.000000
  0.454545 -0.363636  0.090909      8.000000
  0.181818 -0.272727  0.090909     16.000000
  0.272727 -0.272727  0.090909     16.000000
  0.363636 -0.272727  0.090909      8.000000
  0.181818 -0.181818  0.090909     16.000000
  0.272727 -0.181818  0.090909      8.000000
  0.181818 -0.090909  0.090909      8.000000
  0.181818  0.000000  0.181818      2.000000
  0.272727  0.000000  0.181818      8.000000
  0.363636  0.000000  0.181818      8.000000
  0.454545  0.000000  0.181818      8.000000
 -0.454545 -0.000000  0.181818      8.000000
 -0.363636  0.000000  0.181818      8.000000
 -0.272727 -0.000000  0.181818      8.000000
 -0.181818  0.000000  0.181818      4.000000
 -0.454545  0.363636  0.181818      8.000000
 -0.363636  0.363636  0.181818     16.000000
  0.272727  0.454545  0.181818      8.000000
 -0.363636  0.454545  0.181818      8.000000
 -0.272727  0.454545  0.181818      8.000000
  0.272727 -0.454545  0.181818     16.000000
  0.363636 -0.454545  0.181818      8.000000
  0.272727 -0.363636  0.181818     16.000000
  0.363636 -0.363636  0.181818     16.000000
  0.454545 -0.363636  0.181818      8.000000
  0.272727 -0.272727  0.181818     16.000000
  0.363636 -0.272727  0.181818     16.000000
  0.454545 -0.272727  0.181818      8.000000
  0.272727 -0.181818  0.181818     16.000000
  0.363636 -0.181818  0.181818      8.000000
  0.272727 -0.090909  0.181818      8.000000
  0.272727  0.000000  0.272727      2.000000
  0.363636  0.000000  0.272727      8.000000
  0.454545  0.000000  0.272727      8.000000
 -0.454545  0.000000  0.272727      8.000000
 -0.363636  0.000000  0.272727      8.000000
 -0.272727 -0.000000  0.272727      4.000000
  0.363636 -0.363636  0.272727      8.000000
  0.363636 -0.272727  0.272727     16.000000
  0.454545 -0.272727  0.272727      8.000000
  0.363636 -0.181818  0.272727     16.000000
  0.454545 -0.181818  0.272727      8.000000
  0.363636 -0.090909  0.272727      8.000000
  0.363636  0.000000  0.363636      2.000000
  0.454545  0.000000  0.363636      8.000000
 -0.454545  0.000000  0.363636      8.000000
 -0.363636  0.000000  0.363636      4.000000
  0.454545 -0.181818  0.363636      8.000000
  0.454545 -0.090909  0.363636      8.000000
  0.454545  0.000000  0.454545      2.000000
 -0.454545  0.000000  0.454545      4.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016619  0.016868 -0.016868      8.000000
  0.033238  0.033737 -0.033737      8.000000
  0.049857  0.050605 -0.050605      8.000000
  0.066476  0.067473 -0.067473      8.000000
  0.083095  0.084341 -0.084341      8.000000
  0.000000  0.033737  0.000000      4.000000
  0.016619  0.050605 -0.016868     16.000000
  0.033238  0.067473 -0.033737     16.000000
  0.049857  0.084341 -0.050605     16.000000
  0.066476  0.101210 -0.067473     16.000000
 -0.099714 -0.067473  0.101210     16.000000
 -0.083095 -0.050605  0.084341     16.000000
 -0.066476 -0.033737  0.067473     16.000000
 -0.049857 -0.016868  0.050605     16.000000
 -0.033238  0.000000  0.033737      8.000000
  0.000000  0.067473  0.000000      4.000000
  0.016619  0.084341 -0.016868     16.000000
  0.033238  0.101210 -0.033737     16.000000
  0.049857  0.118078 -0.050605     16.000000
 -0.116333 -0.050605  0.118078     16.000000
 -0.099714 -0.033737  0.101210     16.000000
 -0.083095 -0.016868  0.084341     16.000000
 -0.066476  0.000000  0.067473      8.000000
  0.000000  0.101210  0.000000      4.000000
  0.016619  0.118078 -0.016868     16.000000
  0.033238  0.134946 -0.033737     16.000000
 -0.132952 -0.033737  0.134946     16.000000
 -0.116333 -0.016868  0.118078     16.000000
 -0.099714  0.000000  0.101210      8.000000
  0.000000  0.134946  0.000000      4.000000
  0.016619  0.151814 -0.016868     16.000000
 -0.149571 -0.016868  0.151814     16.000000
 -0.132952  0.000000  0.134946      8.000000
  0.000000  0.168683  0.000000      4.000000
 -0.166190 -0.000000  0.168683      8.000000
  0.033238 -0.000000  0.000000      2.000000
  0.049857  0.016868 -0.016868      8.000000
  0.066476  0.033737 -0.033737      8.000000
  0.083095  0.050605 -0.050605      8.000000
  0.099714  0.067473 -0.067473      8.000000
 -0.066476 -0.101210  0.101210      8.000000
 -0.049857 -0.084341  0.084341      8.000000
 -0.033238 -0.067473  0.067473      8.000000
 -0.016619 -0.050605  0.050605      8.000000
  0.000000 -0.033737  0.033737      4.000000
  0.033238  0.067473 -0.000000      8.000000
  0.049857  0.084341 -0.016868     16.000000
  0.066476  0.101210 -0.033737     16.000000
 -0.099714 -0.067473  0.134946     16.000000
  0.000000  0.067473  0.033737      8.000000
  0.033238  0.101210  0.000000      8.000000
  0.049857  0.118078 -0.016868     16.000000
 -0.116333 -0.050605  0.151814     16.000000
 -0.099714 -0.033737  0.134946     16.000000
 -0.083095 -0.016868  0.118078     16.000000
 -0.066476  0.000000  0.101210      8.000000
 -0.016619  0.084341  0.050605     16.000000
  0.000000  0.101210  0.033737      8.000000
  0.033238  0.134946 -0.000000      8.000000
 -0.132952 -0.033737  0.168683     16.000000
 -0.116333 -0.016868  0.151814     16.000000
 -0.099714  0.000000  0.134946      8.000000
 -0.033238  0.101210  0.067473     16.000000
 -0.016619  0.118078  0.050605     16.000000
  0.000000  0.134946  0.033737      8.000000
 -0.149571 -0.016868  0.185551      8.000000
 -0.132952  0.000000  0.168683      8.000000
  0.132952 -0.067473 -0.101210     16.000000
  0.149571 -0.050605 -0.118078     16.000000
  0.166190 -0.033737 -0.134946     16.000000
  0.182809 -0.016868 -0.151814      8.000000
  0.116333 -0.050605 -0.084341     16.000000
  0.132952 -0.033737 -0.101210     16.000000
  0.149571 -0.016868 -0.118078     16.000000
  0.166190  0.000000 -0.134946      8.000000
  0.099714 -0.033737 -0.067473     16.000000
  0.116333 -0.016868 -0.084341     16.000000
  0.132952  0.000000 -0.101210      8.000000
  0.083095 -0.016868 -0.050605     16.000000
  0.099714  0.000000 -0.067473      8.000000
  0.066476  0.000000 -0.033737      8.000000
  0.066476 -0.000000  0.000000      2.000000
  0.083095  0.016868 -0.016868      8.000000
  0.099714  0.033737 -0.033737      8.000000
  0.116333  0.050605 -0.050605      8.000000
 -0.049857 -0.118078  0.118078      8.000000
 -0.033238 -0.101210  0.101210      8.000000
 -0.016619 -0.084341  0.084341      8.000000
  0.000000 -0.067473  0.067473      4.000000
 -0.116333 -0.050605  0.185551      8.000000
 -0.099714 -0.033737  0.168683     16.000000
  0.000000  0.101210  0.067473      8.000000
 -0.116333 -0.016868  0.185551      8.000000
 -0.099714  0.000000  0.168683      8.000000
  0.166190 -0.067473 -0.101210     16.000000
  0.182809 -0.050605 -0.118078      8.000000
  0.149571 -0.050605 -0.084341     16.000000
  0.166190 -0.033737 -0.101210     16.000000
  0.182809 -0.016868 -0.118078      8.000000
  0.132952 -0.033737 -0.067473     16.000000
  0.149571 -0.016868 -0.084341     16.000000
  0.166190  0.000000 -0.101210      8.000000
  0.116333 -0.016868 -0.050605     16.000000
  0.132952  0.000000 -0.067473      8.000000
  0.099714 -0.000000 -0.033737      8.000000
  0.099714  0.000000  0.000000      2.000000
  0.116333  0.016868 -0.016868      8.000000
  0.132952  0.033737 -0.033737      8.000000
 -0.033238 -0.134946  0.134946      8.000000
 -0.016619 -0.118078  0.118078      8.000000
 -0.000000 -0.101210  0.101210      4.000000
  0.182809 -0.050605 -0.084341      8.000000
  0.166190 -0.033737 -0.067473     16.000000
  0.182809 -0.016868 -0.084341      8.000000
  0.149571 -0.016868 -0.050605     16.000000
  0.166190  0.000000 -0.067473      8.000000
  0.132952 -0.000000 -0.033737      8.000000
  0.132952 -0.000000  0.000000      2.000000
  0.149571  0.016868 -0.016868      8.000000
 -0.016619 -0.151814  0.151814      8.000000
  0.000000 -0.134946  0.134946      4.000000
  0.182809 -0.016868 -0.050605      8.000000
  0.166190  0.000000 -0.033737      8.000000
  0.166190  0.000000  0.000000      2.000000
  0.000000 -0.168683  0.168683      4.000000
 
    WAVPRE:  cpu time    0.1730: real time    0.2225
    FEWALD:  cpu time    0.0010: real time    0.0001
    GENKIN:  cpu time    0.0220: real time    0.0224
    ORTHCH:  cpu time    0.1120: real time    0.1122
     LOOP+:  cpu time    0.7769: real time    0.8296


--------------------------------------- Iteration      2(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0090: real time    0.0162
    SETDIJ:  cpu time    0.0020: real time    0.0016
    EDDIAG:  cpu time    0.2050: real time    0.2053
  RMM-DIIS:  cpu time    0.1910: real time    0.1910
    ORTHCH:  cpu time    0.1090: real time    0.1087
       DOS:  cpu time    0.0010: real time    0.0013
    CHARGE:  cpu time    0.0210: real time    0.0206
    MIXING:  cpu time    0.0000: real time    0.0001
    --------------------------------------------
      LOOP:  cpu time    0.5379: real time    0.5449

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.1191177E-01  (-0.3934208E-02)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4603647 magnetization 

 Broyden mixing:
  rms(total) = 0.14860E-01    rms(broyden)= 0.14858E-01
  rms(prec ) = 0.51712E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.57709039
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.93013219
  PAW double counting   =        75.11160899      -40.17048788
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.36284827
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83680655 eV

  energy without entropy =      -10.83680655  energy(sigma->0) =      -10.83680655


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2041
  RMM-DIIS:  cpu time    0.2180: real time    0.2188
    ORTHCH:  cpu time    0.1090: real time    0.1088
       DOS:  cpu time    0.0020: real time    0.0017
    CHARGE:  cpu time    0.0210: real time    0.0207
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5599: real time    0.5599

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.7279439E-03  (-0.2535221E-04)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4599207 magnetization 

 Broyden mixing:
  rms(total) = 0.88187E-02    rms(broyden)= 0.88185E-02
  rms(prec ) = 0.30122E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3827
  2.3827

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.68389962
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92681179
  PAW double counting   =        74.95777868      -40.01284808
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.46325555
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83607861 eV

  energy without entropy =      -10.83607861  energy(sigma->0) =      -10.83607861


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2060: real time    0.2057
  RMM-DIIS:  cpu time    0.2220: real time    0.2220
    ORTHCH:  cpu time    0.1090: real time    0.1085
       DOS:  cpu time    0.0010: real time    0.0013
    CHARGE:  cpu time    0.0210: real time    0.0207
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5639: real time    0.5640

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3809028E-03  (-0.3404273E-04)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4590887 magnetization 

 Broyden mixing:
  rms(total) = 0.12007E-02    rms(broyden)= 0.12006E-02
  rms(prec ) = 0.28100E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0969
  2.0969  2.0969

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82571021
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92420466
  PAW double counting   =        74.68201752      -39.73018639
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.59593939
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569770 eV

  energy without entropy =      -10.83569770  energy(sigma->0) =      -10.83569770


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2060: real time    0.2056
  RMM-DIIS:  cpu time    0.2220: real time    0.2219
    ORTHCH:  cpu time    0.1080: real time    0.1083
       DOS:  cpu time    0.0010: real time    0.0012
    CHARGE:  cpu time    0.0210: real time    0.0205
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5629: real time    0.5632

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.2958659E-05  (-0.5333802E-06)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4590787 magnetization 

 Broyden mixing:
  rms(total) = 0.38195E-03    rms(broyden)= 0.38194E-03
  rms(prec ) = 0.93789E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9861
  1.0011  2.2404  2.7169

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.81915390
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92582168
  PAW double counting   =        74.62318498      -39.66903066
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.58867986
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569475 eV

  energy without entropy =      -10.83569475  energy(sigma->0) =      -10.83569475


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.2030: real time    0.2035
  RMM-DIIS:  cpu time    0.1790: real time    0.1787
    ORTHCH:  cpu time    0.1080: real time    0.1085
       DOS:  cpu time    0.0020: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    0.4979: real time    0.4975

 eigenvalue-minimisations  :  2980
 total energy-change (2. order) : 0.9196083E-06  (-0.6058114E-07)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4590787 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82051529
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92623696
  PAW double counting   =        74.60052048      -39.64543628
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.58952757
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569383 eV

  energy without entropy =      -10.83569383  energy(sigma->0) =      -10.83569383


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -83.1582       2 -83.1582
 
 
 
 E-fermi :   5.9845     XC(G=0):  -9.4411     alpha+bet :-12.0766


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1052      2.00000
      2       5.8372      2.00000
      3       5.9446      2.00000
      4       5.9446      2.00000
      5       8.4625      0.00000
      6       8.4625      0.00000
      7       8.5161      0.00000
      8       9.3713      0.00000
      9      13.5078      0.00000
     10      13.7815      0.00000
     11      13.9001      0.00000
     12      16.9125      0.00000
     13      17.3342      0.00000
     14      17.3342      0.00000
     15      21.3742      0.00000
     16      28.9900      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9962      2.00000
      2       4.9203      2.00000
      3       5.7023      2.00000
      4       5.7792      2.00000
      5       8.5182      0.00000
      6       8.7125      0.00000
      7       8.7506      0.00000
      8      10.1333      0.00000
      9      13.2078      0.00000
     10      13.4487      0.00000
     11      14.3553      0.00000
     12      16.8042      0.00000
     13      17.7294      0.00000
     14      18.0136      0.00000
     15      22.0874      0.00000
     16      27.8542      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6732      2.00000
      2       3.2359      2.00000
      3       5.3482      2.00000
      4       5.4445      2.00000
      5       8.2258      0.00000
      6       9.2018      0.00000
      7       9.2101      0.00000
      8      11.7065      0.00000
      9      12.8954      0.00000
     10      13.0503      0.00000
     11      15.0884      0.00000
     12      16.7031      0.00000
     13      19.1953      0.00000
     14      19.5272      0.00000
     15      23.6049      0.00000
     16      25.4348      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.1527      2.00000
      2       1.5646      2.00000
      3       5.0123      2.00000
      4       5.1289      2.00000
      5       7.8820      0.00000
      6       9.4235      0.00000
      7       9.4768      0.00000
      8      13.1971      0.00000
      9      13.2830      0.00000
     10      13.3037      0.00000
     11      14.8718      0.00000
     12      18.2992      0.00000
     13      20.7968      0.00000
     14      21.0112      0.00000
     15      23.4140      0.00000
     16      23.4766      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4857      2.00000
      2       0.0964      2.00000
      3       4.7710      2.00000
      4       4.9044      2.00000
      5       7.6216      0.00000
      6       9.3351      0.00000
      7       9.4293      0.00000
      8      13.8282      0.00000
      9      14.3034      0.00000
     10      14.3627      0.00000
     11      15.5055      0.00000
     12      19.8899      0.00000
     13      19.9671      0.00000
     14      20.1229      0.00000
     15      22.6474      0.00000
     16      24.4088      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.8668      2.00000
      2      -0.9307      2.00000
      3       4.6477      2.00000
      4       4.7907      2.00000
      5       7.4860      0.00000
      6       9.2171      0.00000
      7       9.3226      0.00000
      8      13.6782      0.00000
      9      15.8179      0.00000
     10      15.9422      0.00000
     11      16.9617      0.00000
     12      17.8869      0.00000
     13      18.0519      0.00000
     14      19.4107      0.00000
     15      24.2865      0.00000
     16      26.5209      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9584      2.00000
      2       5.1465      2.00000
      3       5.3497      2.00000
      4       5.4291      2.00000
      5       8.1329      0.00000
      6       9.1194      0.00000
      7       9.2141      0.00000
      8      10.0862      0.00000
      9      12.8532      0.00000
     10      13.7391      0.00000
     11      14.5181      0.00000
     12      17.1802      0.00000
     13      17.5850      0.00000
     14      17.8745      0.00000
     15      22.4523      0.00000
     16      27.7350      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7047      2.00000
      2       3.7477      2.00000
      3       4.9809      2.00000
      4       5.2152      2.00000
      5       8.1632      0.00000
      6       9.2512      0.00000
      7       9.7669      0.00000
      8      10.9354      0.00000
      9      12.6602      0.00000
     10      13.7050      0.00000
     11      15.3374      0.00000
     12      17.0157      0.00000
     13      18.2201      0.00000
     14      19.2602      0.00000
     15      23.8064      0.00000
     16      25.4484      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.2465      2.00000
      2       2.1063      2.00000
      3       4.6518      2.00000
      4       4.8568      2.00000
      5       8.3018      0.00000
      6       9.2506      0.00000
      7      10.0975      0.00000
      8      11.2793      0.00000
      9      13.7790      0.00000
     10      13.9467      0.00000
     11      15.4924      0.00000
     12      17.8345      0.00000
     13      19.7062      0.00000
     14      21.0383      0.00000
     15      23.0925      0.00000
     16      23.7813      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.6179      2.00000
      2       0.5825      2.00000
      3       4.4231      2.00000
      4       4.5166      2.00000
      5       8.1616      0.00000
      6       9.2843      0.00000
      7      10.0051      0.00000
      8      12.0229      0.00000
      9      14.8199      0.00000
     10      14.8838      0.00000
     11      15.6570      0.00000
     12      19.4812      0.00000
     13      19.7053      0.00000
     14      21.1935      0.00000
     15      22.7870      0.00000
     16      23.3164      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.9405      2.00000
      2      -0.6224      2.00000
      3       4.1645      2.00000
      4       4.4349      2.00000
      5       8.0249      0.00000
      6       9.2355      0.00000
      7       9.7575      0.00000
      8      13.2707      0.00000
      9      14.6944      0.00000
     10      16.3314      0.00000
     11      17.1952      0.00000
     12      17.7741      0.00000
     13      18.6668      0.00000
     14      20.8588      0.00000
     15      23.4775      0.00000
     16      24.9104      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.6701      2.00000
      2      -1.0246      2.00000
      3       3.9897      2.00000
      4       4.5312      2.00000
      5       8.0041      0.00000
      6       9.2807      0.00000
      7       9.5716      0.00000
      8      14.0200      0.00000
      9      15.2293      0.00000
     10      15.6306      0.00000
     11      16.9898      0.00000
     12      18.3486      0.00000
     13      18.6916      0.00000
     14      19.6750      0.00000
     15      24.9592      0.00000
     16      26.0508      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.1639      2.00000
      2      -0.2619      2.00000
      3       3.9512      2.00000
      4       4.7592      2.00000
      5       8.1143      0.00000
      6       9.4621      0.00000
      7       9.5015      0.00000
      8      13.7198      0.00000
      9      13.9639      0.00000
     10      15.1773      0.00000
     11      17.1765      0.00000
     12      17.8255      0.00000
     13      20.3595      0.00000
     14      20.7035      0.00000
     15      22.8019      0.00000
     16      24.2404      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.8510      2.00000
      2       1.0800      2.00000
      3       4.0682      2.00000
      4       5.0880      2.00000
      5       8.3414      0.00000
      6       9.4514      0.00000
      7       9.6734      0.00000
      8      12.6647      0.00000
      9      12.7589      0.00000
     10      15.3463      0.00000
     11      15.5241      0.00000
     12      18.7892      0.00000
     13      20.0636      0.00000
     14      21.9121      0.00000
     15      22.0347      0.00000
     16      23.7837      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.4273      2.00000
      2       2.6421      2.00000
      3       4.3619      2.00000
      4       5.4599      2.00000
      5       8.6444      0.00000
      6       9.1869      0.00000
      7       9.5607      0.00000
      8      11.8379      0.00000
      9      12.2631      0.00000
     10      14.1231      0.00000
     11      15.6776      0.00000
     12      17.3056      0.00000
     13      19.1584      0.00000
     14      20.8066      0.00000
     15      23.0364      0.00000
     16      24.4142      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.8168      2.00000
      2       4.1154      2.00000
      3       4.9318      2.00000
      4       5.7430      2.00000
      5       8.7757      0.00000
      6       8.8725      0.00000
      7       8.9913      0.00000
      8      10.9881      0.00000
      9      12.5743      0.00000
     10      13.5272      0.00000
     11      15.0071      0.00000
     12      17.0422      0.00000
     13      17.8667      0.00000
     14      19.1037      0.00000
     15      23.0482      0.00000
     16      25.4678      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.5206      2.00000
      2       3.6476      2.00000
      3       4.5199      2.00000
      4       4.5697      2.00000
      5       7.4676      0.00000
      6      10.0791      0.00000
      7      10.4499      0.00000
      8      10.6117      0.00000
      9      12.8338      0.00000
     10      14.2230      0.00000
     11      16.0292      0.00000
     12      17.9666      0.00000
     13      18.3150      0.00000
     14      18.7936      0.00000
     15      24.9509      0.00000
     16      24.9974      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.1280      2.00000
      2       2.4568      2.00000
      3       4.1394      2.00000
      4       4.2061      2.00000
      5       7.5154      0.00000
      6       9.6264      0.00000
      7      10.8048      0.00000
      8      11.1357      0.00000
      9      14.0557      0.00000
     10      14.5833      0.00000
     11      16.7735      0.00000
     12      18.1471      0.00000
     13      19.0514      0.00000
     14      20.3906      0.00000
     15      23.0177      0.00000
     16      23.6277      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.5499      2.00000
      2       1.0542      2.00000
      3       3.6343      2.00000
      4       3.9964      2.00000
      5       7.7567      0.00000
      6       9.9585      0.00000
      7      10.6248      0.00000
      8      11.1783      0.00000
      9      15.4245      0.00000
     10      15.8116      0.00000
     11      16.5109      0.00000
     12      19.3077      0.00000
     13      19.4314      0.00000
     14      21.1363      0.00000
     15      21.9939      0.00000
     16      23.3393      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8619      2.00000
      2      -0.2031      2.00000
      3       3.1657      2.00000
      4       3.9602      2.00000
      5       7.7951      0.00000
      6      10.4035      0.00000
      7      10.9084      0.00000
      8      11.1583      0.00000
      9      15.8895      0.00000
     10      16.8049      0.00000
     11      17.5682      0.00000
     12      17.7550      0.00000
     13      18.8147      0.00000
     14      22.1313      0.00000
     15      23.6418      0.00000
     16      23.9583      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.3770      2.00000
      2      -0.9184      2.00000
      3       2.8303      2.00000
      4       4.0901      2.00000
      5       7.8931      0.00000
      6      10.2652      0.00000
      7      10.6242      0.00000
      8      12.7880      0.00000
      9      15.0574      0.00000
     10      15.5150      0.00000
     11      17.5294      0.00000
     12      18.7861      0.00000
     13      19.6371      0.00000
     14      21.6602      0.00000
     15      24.8392      0.00000
     16      25.0396      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.6749      2.00000
      2      -0.4918      2.00000
      3       2.6727      2.00000
      4       4.3697      2.00000
      5       8.1494      0.00000
      6      10.2282      0.00000
      7      10.4316      0.00000
      8      13.6137      0.00000
      9      13.8431      0.00000
     10      14.5758      0.00000
     11      17.3851      0.00000
     12      19.7696      0.00000
     13      20.7838      0.00000
     14      21.1881      0.00000
     15      22.5726      0.00000
     16      24.8268      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.3562      2.00000
      2       0.6413      2.00000
      3       2.7479      2.00000
      4       4.7616      2.00000
      5       8.5296      0.00000
      6      10.1211      0.00000
      7      10.3593      0.00000
      8      12.2946      0.00000
      9      12.4786      0.00000
     10      16.0816      0.00000
     11      17.8271      0.00000
     12      18.0601      0.00000
     13      19.9310      0.00000
     14      22.0037      0.00000
     15      22.6750      0.00000
     16      23.7631      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9777      2.00000
      2       1.8420      2.00000
      3       3.2296      2.00000
      4       5.1836      2.00000
      5       8.8809      0.00000
      6       9.6555      0.00000
      7      10.0337      0.00000
      8      11.6497      0.00000
      9      11.9768      0.00000
     10      15.9172      0.00000
     11      16.6443      0.00000
     12      17.7097      0.00000
     13      19.7058      0.00000
     14      20.9739      0.00000
     15      22.4248      0.00000
     16      24.6704      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.8007      2.00000
      2       2.0210      2.00000
      3       3.7964      2.00000
      4       3.8268      2.00000
      5       6.8606      0.00000
      6       8.7037      0.00000
      7      11.9895      0.00000
      8      12.2245      0.00000
      9      14.5535      0.00000
     10      15.0626      0.00000
     11      17.9312      0.00000
     12      19.1097      0.00000
     13      19.2996      0.00000
     14      20.0174      0.00000
     15      22.8178      0.00000
     16      23.1569      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2797      2.00000
      2       1.0480      2.00000
      3       3.2812      2.00000
      4       3.5764      2.00000
      5       6.9910      0.00000
      6       8.3927      0.00000
      7      12.3342      0.00000
      8      12.6367      0.00000
      9      15.7537      0.00000
     10      16.1034      0.00000
     11      18.1078      0.00000
     12      19.3074      0.00000
     13      19.8089      0.00000
     14      20.7952      0.00000
     15      21.8405      0.00000
     16      22.8091      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6118      2.00000
      2      -0.0068      2.00000
      3       2.5679      2.00000
      4       3.5118      2.00000
      5       7.1932      0.00000
      6       9.1296      0.00000
      7      12.1772      0.00000
      8      12.4866      0.00000
      9      17.0197      0.00000
     10      17.2172      0.00000
     11      17.6520      0.00000
     12      18.0060      0.00000
     13      19.7051      0.00000
     14      21.6707      0.00000
     15      22.7420      0.00000
     16      24.3855      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9929      2.00000
      2      -0.8250      2.00000
      3       2.0028      2.00000
      4       3.6234      2.00000
      5       7.3264      0.00000
      6      10.6000      0.00000
      7      11.9480      0.00000
      8      12.2259      0.00000
      9      15.3687      0.00000
     10      15.6783      0.00000
     11      19.1301      0.00000
     12      19.1662      0.00000
     13      19.8899      0.00000
     14      23.4828      0.00000
     15      23.8025      0.00000
     16      24.2030      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.0621      2.00000
      2      -0.7360      2.00000
      3       1.7191      2.00000
      4       3.8991      2.00000
      5       7.6180      0.00000
      6      11.6167      0.00000
      7      11.8596      0.00000
      8      12.6407      0.00000
      9      13.6332      0.00000
     10      13.9107      0.00000
     11      19.1334      0.00000
     12      21.1108      0.00000
     13      21.3876      0.00000
     14      22.0428      0.00000
     15      22.5896      0.00000
     16      23.8640      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.7093      2.00000
      2       0.0333      2.00000
      3       1.8829      2.00000
      4       4.3054      2.00000
      5       8.0712      0.00000
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     10      14.5988      0.00000
     11      19.1379      0.00000
     12      19.7664      0.00000
     13      20.1992      0.00000
     14      22.7453      0.00000
     15      23.1920      0.00000
     16      23.5434      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
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     10      16.5977      0.00000
     11      19.0231      0.00000
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     13      19.5710      0.00000
     14      21.4279      0.00000
     15      21.7070      0.00000
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     10      17.4900      0.00000
     11      17.8170      0.00000
     12      18.1470      0.00000
     13      20.5747      0.00000
     14      21.1276      0.00000
     15      21.7535      0.00000
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 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     10      15.9250      0.00000
     11      19.2178      0.00000
     12      19.8576      0.00000
     13      21.2259      0.00000
     14      21.4358      0.00000
     15      22.0931      0.00000
     16      24.2256      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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     10      14.2725      0.00000
     11      20.8189      0.00000
     12      21.1920      0.00000
     13      21.6162      0.00000
     14      21.6855      0.00000
     15      21.8167      0.00000
     16      23.5087      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     10      17.5606      0.00000
     11      17.7151      0.00000
     12      18.3841      0.00000
     13      19.2648      0.00000
     14      19.7711      0.00000
     15      23.8550      0.00000
     16      24.6902      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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      2      -1.8234      2.00000
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     10      16.3125      0.00000
     11      19.0304      0.00000
     12      19.1196      0.00000
     13      19.5561      0.00000
     14      20.0541      0.00000
     15      23.9691      0.00000
     16      24.2694      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3838      2.00000
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     10      14.2893      0.00000
     11      16.2273      0.00000
     12      17.4730      0.00000
     13      18.7326      0.00000
     14      20.4124      0.00000
     15      22.9991      0.00000
     16      24.9829      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
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     10      15.8058      0.00000
     11      16.3793      0.00000
     12      18.3104      0.00000
     13      19.8299      0.00000
     14      21.2625      0.00000
     15      21.9774      0.00000
     16      24.1436      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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     10      15.8080      0.00000
     11      17.5799      0.00000
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     13      20.3475      0.00000
     14      21.3611      0.00000
     15      22.8888      0.00000
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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     14      21.2840      0.00000
     15      23.8625      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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     14      21.2762      0.00000
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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     14      22.0374      0.00000
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
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     14      21.2546      0.00000
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.0171      2.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.5446      2.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
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     14      22.4898      0.00000
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 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
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     14      21.2282      0.00000
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     16      24.1658      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.0080      2.00000
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     11      19.2019      0.00000
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 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3970      2.00000
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      3       2.0932      2.00000
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     11      19.6467      0.00000
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     15      22.9197      0.00000
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 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7523      2.00000
      2      -0.8696      2.00000
      3       1.8166      2.00000
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     14      22.3093      0.00000
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 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.3325      2.00000
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     10      17.2631      0.00000
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 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.1312      2.00000
      2      -1.3837      2.00000
      3       1.7559      2.00000
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     10      16.9006      0.00000
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     14      22.8309      0.00000
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 k-point    57 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9621      2.00000
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      3       5.4490      2.00000
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      5       8.2036      0.00000
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     14      17.6695      0.00000
     15      22.2643      0.00000
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 k-point    58 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7122      2.00000
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     10      13.8658      0.00000
     11      15.3113      0.00000
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 k-point    59 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.2572      2.00000
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     14      20.9551      0.00000
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 k-point    60 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.6308      2.00000
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     11      15.5421      0.00000
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     14      21.1517      0.00000
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 k-point    61 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.9517      2.00000
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     10      16.2293      0.00000
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     14      21.1092      0.00000
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 k-point    62 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
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 k-point    63 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
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     11      17.3967      0.00000
     12      18.0251      0.00000
     13      20.2332      0.00000
     14      20.5370      0.00000
     15      22.6210      0.00000
     16      24.0506      0.00000

 k-point    64 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.8415      2.00000
      2       1.0611      2.00000
      3       3.9820      2.00000
      4       5.1891      2.00000
      5       8.3878      0.00000
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      8      12.6353      0.00000
      9      12.7408      0.00000
     10      15.1984      0.00000
     11      15.7123      0.00000
     12      18.7509      0.00000
     13      20.1640      0.00000
     14      21.8765      0.00000
     15      21.9643      0.00000
     16      23.6196      0.00000

 k-point    65 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.4203      2.00000
      2       2.6299      2.00000
      3       4.2865      2.00000
      4       5.5475      2.00000
      5       8.6729      0.00000
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      8      11.7671      0.00000
      9      12.3536      0.00000
     10      14.2475      0.00000
     11      15.5755      0.00000
     12      17.2178      0.00000
     13      18.8929      0.00000
     14      21.0786      0.00000
     15      23.3657      0.00000
     16      24.4456      0.00000

 k-point    66 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.8131      2.00000
      2       4.1274      2.00000
      3       4.8502      2.00000
      4       5.8134      2.00000
      5       8.7633      0.00000
      6       8.8939      0.00000
      7       8.9440      0.00000
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     10      13.5061      0.00000
     11      15.0051      0.00000
     12      16.9858      0.00000
     13      17.5079      0.00000
     14      19.3654      0.00000
     15      23.1630      0.00000
     16      25.8664      0.00000

 k-point    67 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3804      2.00000
      2       2.8840      2.00000
      3       4.0052      2.00000
      4       5.1253      2.00000
      5       8.2174      0.00000
      6       9.6499      0.00000
      7      10.2481      0.00000
      8      10.7134      0.00000
      9      12.9874      0.00000
     10      14.4555      0.00000
     11      16.1640      0.00000
     12      17.3587      0.00000
     13      18.4832      0.00000
     14      20.7178      0.00000
     15      23.3542      0.00000
     16      24.7884      0.00000

 k-point    68 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.8600      2.00000
      2       1.5384      2.00000
      3       3.4420      2.00000
      4       4.8123      2.00000
      5       8.5455      0.00000
      6       9.5963      0.00000
      7      10.5880      0.00000
      8      10.7916      0.00000
      9      13.4761      0.00000
     10      16.0092      0.00000
     11      16.2442      0.00000
     12      18.1754      0.00000
     13      19.8642      0.00000
     14      21.3592      0.00000
     15      21.9844      0.00000
     16      24.0422      0.00000

 k-point    69 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6708      2.00000
      2       1.6006      2.00000
      3       3.2843      2.00000
      4       4.0822      2.00000
      5       7.6448      0.00000
      6       9.2122      0.00000
      7      11.0485      0.00000
      8      11.8838      0.00000
      9      14.3844      0.00000
     10      16.1227      0.00000
     11      17.4589      0.00000
     12      18.3739      0.00000
     13      19.8162      0.00000
     14      21.2497      0.00000
     15      21.4222      0.00000
     16      23.5902      0.00000

 k-point    70 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1935      2.00000
      2       0.1765      2.00000
      3       3.1878      2.00000
      4       4.4633      2.00000
      5       8.6118      0.00000
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      7      10.6745      0.00000
      8      11.6386      0.00000
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     10      15.7445      0.00000
     11      17.7961      0.00000
     12      17.9949      0.00000
     13      20.0953      0.00000
     14      21.1913      0.00000
     15      22.7088      0.00000
     16      23.7875      0.00000

 k-point    71 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0445      2.00000
      2       0.4956      2.00000
      3       2.7173      2.00000
      4       3.7614      2.00000
      5       8.0180      0.00000
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      7      10.7402      0.00000
      8      12.2690      0.00000
      9      15.2528      0.00000
     10      16.7815      0.00000
     11      18.0553      0.00000
     12      18.4410      0.00000
     13      20.0393      0.00000
     14      20.6765      0.00000
     15      22.3171      0.00000
     16      24.1206      0.00000

 k-point    72 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.7048      2.00000
      2       0.2363      2.00000
      3       2.8067      2.00000
      4       3.2415      2.00000
      5       7.2793      0.00000
      6       8.1462      0.00000
      7      12.4660      0.00000
      8      13.6075      0.00000
      9      15.9745      0.00000
     10      17.4155      0.00000
     11      18.0285      0.00000
     12      19.1012      0.00000
     13      20.0764      0.00000
     14      20.6861      0.00000
     15      22.2141      0.00000
     16      22.8109      0.00000

 k-point    73 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5748      2.00000
      2      -0.8117      2.00000
      3       3.1012      2.00000
      4       4.2330      2.00000
      5       8.6297      0.00000
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      7      10.6120      0.00000
      8      13.1108      0.00000
      9      14.7904      0.00000
     10      15.8311      0.00000
     11      17.0902      0.00000
     12      18.4516      0.00000
     13      19.7025      0.00000
     14      21.2564      0.00000
     15      23.5566      0.00000
     16      25.5315      0.00000

 k-point    74 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.3653      2.00000
      2      -0.5321      2.00000
      3       2.3584      2.00000
      4       3.5789      2.00000
      5       8.1625      0.00000
      6      10.3041      0.00000
      7      11.0032      0.00000
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      9      15.1563      0.00000
     10      16.6289      0.00000
     11      17.5881      0.00000
     12      18.9102      0.00000
     13      20.0209      0.00000
     14      22.2565      0.00000
     15      23.7561      0.00000
     16      24.4396      0.00000

 k-point    75 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.0164      2.00000
      2      -0.6042      2.00000
      3       2.1804      2.00000
      4       3.0419      2.00000
      5       7.6387      0.00000
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      9      15.4541      0.00000
     10      17.0769      0.00000
     11      17.8870      0.00000
     12      20.0281      0.00000
     13      20.5162      0.00000
     14      20.9881      0.00000
     15      23.1470      0.00000
     16      23.6595      0.00000

 k-point    76 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.5184      2.00000
      2      -1.1728      2.00000
      3       2.6191      2.00000
      4       2.7538      2.00000
      5       7.2065      0.00000
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      8      15.2711      0.00000
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     10      17.1938      0.00000
     11      17.8690      0.00000
     12      19.3902      0.00000
     13      20.0008      0.00000
     14      21.6254      0.00000
     15      22.6070      0.00000
     16      23.9973      0.00000

 k-point    77 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.5886      2.00000
      2      -0.7962      2.00000
      3       3.1260      2.00000
      4       4.2030      2.00000
      5       8.6811      0.00000
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     10      15.7331      0.00000
     11      17.1089      0.00000
     12      18.4815      0.00000
     13      19.4557      0.00000
     14      21.5420      0.00000
     15      23.8127      0.00000
     16      25.5576      0.00000

 k-point    78 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.1099      2.00000
      2      -0.8741      2.00000
      3       2.1507      2.00000
      4       3.6432      2.00000
      5       8.3858      0.00000
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      9      13.3511      0.00000
     10      15.8588      0.00000
     11      18.1550      0.00000
     12      18.9802      0.00000
     13      21.8642      0.00000
     14      22.0595      0.00000
     15      23.3802      0.00000
     16      24.2108      0.00000

 k-point    79 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.5533      2.00000
      2      -1.1090      2.00000
      3       1.6795      2.00000
      4       3.1409      2.00000
      5       7.8663      0.00000
      6      10.5360      0.00000
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      8      13.4124      0.00000
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     10      15.9464      0.00000
     11      19.0181      0.00000
     12      20.2943      0.00000
     13      21.5696      0.00000
     14      22.2090      0.00000
     15      23.2726      0.00000
     16      24.4253      0.00000

 k-point    80 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.0146      2.00000
      2      -1.6276      2.00000
      3       1.9711      2.00000
      4       2.8126      2.00000
      5       7.5037      0.00000
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      9      15.5622      0.00000
     10      16.1564      0.00000
     11      18.8523      0.00000
     12      19.6230      0.00000
     13      21.7476      0.00000
     14      22.4405      0.00000
     15      22.7883      0.00000
     16      23.1204      0.00000

 k-point    81 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.2163      2.00000
      2       0.2021      2.00000
      3       3.2496      2.00000
      4       4.3909      2.00000
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     10      15.7757      0.00000
     11      17.5740      0.00000
     12      17.8797      0.00000
     13      20.1574      0.00000
     14      21.3123      0.00000
     15      22.9080      0.00000
     16      23.9997      0.00000

 k-point    82 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6343      2.00000
      2      -0.1669      2.00000
      3       2.1530      2.00000
      4       3.9274      2.00000
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     10      14.6952      0.00000
     11      18.4055      0.00000
     12      20.0554      0.00000
     13      20.5548      0.00000
     14      21.1170      0.00000
     15      23.6758      0.00000
     16      23.8369      0.00000

 k-point    83 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9605      2.00000
      2      -0.7008      2.00000
      3       1.5928      2.00000
      4       3.4596      2.00000
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     10      14.5973      0.00000
     11      20.2329      0.00000
     12      20.4942      0.00000
     13      20.6714      0.00000
     14      22.5054      0.00000
     15      22.5521      0.00000
     16      23.9277      0.00000

 k-point    84 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8802      2.00000
      2       1.5532      2.00000
      3       3.5226      2.00000
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     10      15.8273      0.00000
     11      16.3528      0.00000
     12      18.3001      0.00000
     13      19.8233      0.00000
     14      21.3047      0.00000
     15      21.9450      0.00000
     16      23.9813      0.00000

 k-point    85 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.3173      2.00000
      2       0.8195      2.00000
      3       2.5404      2.00000
      4       4.3482      2.00000
      5       9.2141      0.00000
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     10      16.4171      0.00000
     11      17.9435      0.00000
     12      18.5271      0.00000
     13      19.4771      0.00000
     14      21.8165      0.00000
     15      22.1366      0.00000
     16      24.8521      0.00000

 k-point    86 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3948      2.00000
      2       2.8698      2.00000
      3       4.0975      2.00000
      4       5.0677      2.00000
      5       8.3295      0.00000
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     10      14.3919      0.00000
     11      16.1724      0.00000
     12      17.5282      0.00000
     13      18.7009      0.00000
     14      20.5722      0.00000
     15      23.0413      0.00000
     16      24.6380      0.00000

 k-point    87 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.5354      2.00000
      2       3.5461      2.00000
      3       4.6206      2.00000
      4       4.6206      2.00000
      5       7.5681      0.00000
      6      10.0472      0.00000
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     10      14.4110      0.00000
     11      15.9453      0.00000
     12      18.2747      0.00000
     13      18.2747      0.00000
     14      18.7917      0.00000
     15      24.5951      0.00000
     16      25.0106      0.00000

 k-point    88 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.1497      2.00000
      2       2.4075      2.00000
      3       4.1600      2.00000
      4       4.2813      2.00000
      5       7.6312      0.00000
      6       9.6286      0.00000
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      8      11.1079      0.00000
      9      13.9343      0.00000
     10      14.6941      0.00000
     11      16.7247      0.00000
     12      18.1671      0.00000
     13      19.1754      0.00000
     14      20.4072      0.00000
     15      22.9707      0.00000
     16      23.4746      0.00000

 k-point    89 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.5770      2.00000
      2       1.0468      2.00000
      3       3.5818      2.00000
      4       4.0906      2.00000
      5       7.8573      0.00000
      6      10.0531      0.00000
      7      10.5514      0.00000
      8      11.2134      0.00000
      9      15.4460      0.00000
     10      15.6722      0.00000
     11      16.4870      0.00000
     12      19.2775      0.00000
     13      19.4131      0.00000
     14      21.0522      0.00000
     15      22.0627      0.00000
     16      23.3247      0.00000

 k-point    90 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.8897      2.00000
      2      -0.1962      2.00000
      3       3.0791      2.00000
      4       4.0654      2.00000
      5       7.8978      0.00000
      6      10.3214      0.00000
      7      10.9610      0.00000
      8      11.3219      0.00000
      9      15.8548      0.00000
     10      16.7148      0.00000
     11      17.4842      0.00000
     12      17.6229      0.00000
     13      18.7271      0.00000
     14      22.1362      0.00000
     15      23.8205      0.00000
     16      24.1643      0.00000

 k-point    91 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.3884      2.00000
      2      -0.9262      2.00000
      3       2.7323      2.00000
      4       4.2035      2.00000
      5       8.0142      0.00000
      6      10.1841      0.00000
      7      10.6598      0.00000
      8      12.9875      0.00000
      9      15.0282      0.00000
     10      15.4400      0.00000
     11      17.4016      0.00000
     12      18.6589      0.00000
     13      19.4487      0.00000
     14      21.9363      0.00000
     15      24.5386      0.00000
     16      24.9876      0.00000

 k-point    92 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6621      2.00000
      2      -0.5265      2.00000
      3       2.5772      2.00000
      4       4.4873      2.00000
      5       8.2853      0.00000
      6      10.1659      0.00000
      7      10.4231      0.00000
      8      13.6744      0.00000
      9      13.7100      0.00000
     10      14.7446      0.00000
     11      17.2662      0.00000
     12      20.0161      0.00000
     13      20.6402      0.00000
     14      20.9484      0.00000
     15      22.2636      0.00000
     16      24.8084      0.00000

 k-point    93 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.3396      2.00000
      2       0.6015      2.00000
      3       2.6613      2.00000
      4       4.8776      2.00000
      5       8.6681      0.00000
      6      10.1661      0.00000
      7      10.2075      0.00000
      8      12.2787      0.00000
      9      12.4613      0.00000
     10      16.0816      0.00000
     11      17.9206      0.00000
     12      18.1088      0.00000
     13      19.8288      0.00000
     14      21.8984      0.00000
     15      22.5569      0.00000
     16      23.5556      0.00000

 k-point    94 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9646      2.00000
      2       1.8133      2.00000
      3       3.1488      2.00000
      4       5.2898      2.00000
      5       9.0077      0.00000
      6       9.6625      0.00000
      7       9.8927      0.00000
      8      11.5889      0.00000
      9      12.0411      0.00000
     10      16.1079      0.00000
     11      16.5461      0.00000
     12      17.4270      0.00000
     13      19.7127      0.00000
     14      21.1159      0.00000
     15      22.6341      0.00000
     16      24.5166      0.00000

 k-point    95 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2902      2.00000
      2       0.7921      2.00000
      3       2.4468      2.00000
      4       4.4587      2.00000
      5       9.2908      0.00000
      6       9.3221      0.00000
      7      10.5762      0.00000
      8      11.6115      0.00000
      9      13.4901      0.00000
     10      16.5212      0.00000
     11      18.1020      0.00000
     12      18.2999      0.00000
     13      19.5067      0.00000
     14      21.7863      0.00000
     15      22.0698      0.00000
     16      24.7535      0.00000

 k-point    96 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.6072      2.00000
      2      -0.2063      2.00000
      3       2.0703      2.00000
      4       4.0384      2.00000
      5       8.8655      0.00000
      6       9.7227      0.00000
      7      11.4776      0.00000
      8      12.0686      0.00000
      9      14.4313      0.00000
     10      14.8786      0.00000
     11      18.2299      0.00000
     12      20.2800      0.00000
     13      20.4252      0.00000
     14      20.9499      0.00000
     15      23.4633      0.00000
     16      23.7409      0.00000

 k-point    97 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3923      2.00000
      2      -0.1971      2.00000
      3       2.0374      2.00000
      4       3.3015      2.00000
      5       8.9661      0.00000
      6       9.6143      0.00000
      7      10.3657      0.00000
      8      13.5354      0.00000
      9      15.0864      0.00000
     10      15.4458      0.00000
     11      19.3461      0.00000
     12      20.0189      0.00000
     13      20.0856      0.00000
     14      20.5955      0.00000
     15      22.6028      0.00000
     16      24.1415      0.00000

 k-point    98 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.1069      2.00000
      2      -0.8952      2.00000
      3       2.0929      2.00000
      4       3.7291      2.00000
      5       8.4888      0.00000
      6       9.9291      0.00000
      7      12.1720      0.00000
      8      12.8305      0.00000
      9      13.2176      0.00000
     10      15.9581      0.00000
     11      18.0282      0.00000
     12      18.9443      0.00000
     13      21.5986      0.00000
     14      22.2876      0.00000
     15      23.1309      0.00000
     16      24.2604      0.00000

 k-point    99 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7575      2.00000
      2      -0.9092      2.00000
      3       1.7752      2.00000
      4       2.9638      2.00000
      5       9.3538      0.00000
      6       9.8426      0.00000
      7      11.0077      0.00000
      8      13.0588      0.00000
      9      14.0047      0.00000
     10      16.5976      0.00000
     11      18.4000      0.00000
     12      19.9060      0.00000
     13      21.3248      0.00000
     14      22.5243      0.00000
     15      22.9298      0.00000
     16      24.5237      0.00000

 k-point   100 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.3382      2.00000
      2      -1.2379      2.00000
      3       1.9995      2.00000
      4       2.4131      2.00000
      5       8.8816      0.00000
      6       9.0909      0.00000
      7      11.6923      0.00000
      8      13.3085      0.00000
      9      15.4818      0.00000
     10      16.9766      0.00000
     11      18.2749      0.00000
     12      19.6180      0.00000
     13      21.5626      0.00000
     14      22.5951      0.00000
     15      23.0067      0.00000
     16      24.2410      0.00000

 k-point   101 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.3981      2.00000
      2      -0.5248      2.00000
      3       2.3505      2.00000
      4       3.6170      2.00000
      5       8.2633      0.00000
      6      10.1995      0.00000
      7      11.1517      0.00000
      8      12.2927      0.00000
      9      14.9606      0.00000
     10      16.5683      0.00000
     11      17.6879      0.00000
     12      18.9270      0.00000
     13      19.7617      0.00000
     14      22.4291      0.00000
     15      23.9415      0.00000
     16      24.5294      0.00000

 k-point   102 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.7833      2.00000
      2      -0.8967      2.00000
      3       1.8175      2.00000
      4       2.9334      2.00000
      5       9.4401      0.00000
      6       9.7742      0.00000
      7      11.1491      0.00000
      8      12.8732      0.00000
      9      14.0205      0.00000
     10      16.5167      0.00000
     11      18.5251      0.00000
     12      19.9416      0.00000
     13      21.4600      0.00000
     14      22.3247      0.00000
     15      22.9054      0.00000
     16      24.7894      0.00000

 k-point   103 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.1573      2.00000
      2      -1.4040      2.00000
      3       1.7563      2.00000
      4       2.4302      2.00000
      5       9.2484      0.00000
      6      10.5520      0.00000
      7      11.4303      0.00000
      8      11.4575      0.00000
      9      15.5291      0.00000
     10      16.5819      0.00000
     11      18.6632      0.00000
     12      19.8396      0.00000
     13      21.6683      0.00000
     14      22.5938      0.00000
     15      24.2644      0.00000
     16      24.2986      0.00000

 k-point   104 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.0817      2.00000
      2       0.4879      2.00000
      3       2.7803      2.00000
      4       3.7494      2.00000
      5       8.1307      0.00000
      6       9.7018      0.00000
      7      10.6249      0.00000
      8      12.3414      0.00000
      9      15.2555      0.00000
     10      16.6562      0.00000
     11      17.8375      0.00000
     12      18.4861      0.00000
     13      20.1067      0.00000
     14      20.7342      0.00000
     15      22.3609      0.00000
     16      24.1670      0.00000

 k-point   105 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.4334      2.00000
      2      -0.1943      2.00000
      3       2.1306      2.00000
      4       3.2452      2.00000
      5       9.1116      0.00000
      6       9.6829      0.00000
      7      10.2900      0.00000
      8      13.5676      0.00000
      9      14.8868      0.00000
     10      15.4019      0.00000
     11      19.5645      0.00000
     12      19.9286      0.00000
     13      20.1657      0.00000
     14      20.5337      0.00000
     15      22.6969      0.00000
     16      23.9944      0.00000

 k-point   106 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7019      2.00000
      2       1.5592      2.00000
      3       3.3878      2.00000
      4       4.0692      2.00000
      5       7.7742      0.00000
      6       9.2355      0.00000
      7      10.9256      0.00000
      8      11.9499      0.00000
      9      14.4500      0.00000
     10      15.9622      0.00000
     11      17.4239      0.00000
     12      18.5085      0.00000
     13      19.7569      0.00000
     14      21.2644      0.00000
     15      21.3313      0.00000
     16      23.5874      0.00000

 k-point   107 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.8330      2.00000
      2       1.9115      2.00000
      3       3.9046      2.00000
      4       3.9046      2.00000
      5       6.9841      0.00000
      6       8.7000      0.00000
      7      12.0866      0.00000
      8      12.0866      0.00000
      9      14.4481      0.00000
     10      15.1985      0.00000
     11      17.7842      0.00000
     12      19.2435      0.00000
     13      19.2435      0.00000
     14      20.0513      0.00000
     15      22.9132      0.00000
     16      22.9132      0.00000

 k-point   108 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.3210      2.00000
      2       0.9648      2.00000
      3       3.3350      2.00000
      4       3.6766      2.00000
      5       7.1201      0.00000
      6       8.4455      0.00000
      7      12.3778      0.00000
      8      12.5754      0.00000
      9      15.9007      0.00000
     10      15.9257      0.00000
     11      18.0287      0.00000
     12      19.2950      0.00000
     13      19.7385      0.00000
     14      20.7382      0.00000
     15      21.8243      0.00000
     16      22.7971      0.00000

 k-point   109 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6579      2.00000
      2      -0.0495      2.00000
      3       2.5582      2.00000
      4       3.6204      2.00000
      5       7.3041      0.00000
      6       9.2715      0.00000
      7      12.2140      0.00000
      8      12.4512      0.00000
      9      16.9936      0.00000
     10      17.1637      0.00000
     11      17.6477      0.00000
     12      17.8340      0.00000
     13      19.6128      0.00000
     14      21.5773      0.00000
     15      22.7526      0.00000
     16      24.3802      0.00000

 k-point   110 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.0268      2.00000
      2      -0.8545      2.00000
      3       1.9516      2.00000
      4       3.7388      2.00000
      5       7.4450      0.00000
      6      10.7876      0.00000
      7      12.0493      0.00000
      8      12.1158      0.00000
      9      15.4572      0.00000
     10      15.5101      0.00000
     11      18.9902      0.00000
     12      19.0510      0.00000
     13      19.7090      0.00000
     14      23.5881      0.00000
     15      23.6068      0.00000
     16      24.1011      0.00000

 k-point   111 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.0564      2.00000
      2      -0.7925      2.00000
      3       1.6493      2.00000
      4       4.0193      2.00000
      5       7.7485      0.00000
      6      11.7217      0.00000
      7      11.7525      0.00000
      8      12.8094      0.00000
      9      13.7418      0.00000
     10      13.7593      0.00000
     11      18.8930      0.00000
     12      21.0199      0.00000
     13      21.0823      0.00000
     14      21.8539      0.00000
     15      22.7622      0.00000
     16      23.7376      0.00000

 k-point   112 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6907      2.00000
      2      -0.0249      2.00000
      3       1.8040      2.00000
      4       4.4267      2.00000
      5       8.2090      0.00000
      6      11.1429      0.00000
      7      11.4025      0.00000
      8      12.3776      0.00000
      9      12.6402      0.00000
     10      14.8083      0.00000
     11      18.8112      0.00000
     12      19.5781      0.00000
     13      20.4391      0.00000
     14      22.6181      0.00000
     15      22.9163      0.00000
     16      23.5216      0.00000

 k-point   113 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9410      2.00000
      2      -0.7565      2.00000
      3       1.5274      2.00000
      4       3.5781      2.00000
      5       8.3555      0.00000
      6      10.9933      0.00000
      7      11.7591      0.00000
      8      12.7905      0.00000
      9      13.4947      0.00000
     10      14.7344      0.00000
     11      19.9369      0.00000
     12      20.4422      0.00000
     13      20.5043      0.00000
     14      22.5266      0.00000
     15      22.7214      0.00000
     16      23.6477      0.00000

 k-point   114 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.5741      2.00000
      2      -1.1547      2.00000
      3       1.6566      2.00000
      4       3.2463      2.00000
      5       7.9735      0.00000
      6      10.6938      0.00000
      7      11.6788      0.00000
      8      13.2707      0.00000
      9      13.9934      0.00000
     10      16.0843      0.00000
     11      18.9988      0.00000
     12      20.1487      0.00000
     13      21.5668      0.00000
     14      21.9602      0.00000
     15      23.0993      0.00000
     16      24.1981      0.00000

 k-point   115 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.1559      2.00000
      2      -1.4358      2.00000
      3       1.7379      2.00000
      4       2.4854      2.00000
      5       9.3661      0.00000
      6      10.6026      0.00000
      7      11.3213      0.00000
      8      11.3921      0.00000
      9      15.5452      0.00000
     10      16.6783      0.00000
     11      18.6457      0.00000
     12      19.8448      0.00000
     13      21.5020      0.00000
     14      22.6457      0.00000
     15      24.1323      0.00000
     16      24.1483      0.00000

 k-point   116 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -3.0694      2.00000
      2      -0.6495      2.00000
      3       2.2232      2.00000
      4       3.1157      2.00000
      5       7.7535      0.00000
      6       9.0989      0.00000
      7      11.9777      0.00000
      8      14.0906      0.00000
      9      15.2467      0.00000
     10      17.1096      0.00000
     11      18.0487      0.00000
     12      19.8233      0.00000
     13      20.4355      0.00000
     14      21.1090      0.00000
     15      22.9979      0.00000
     16      23.6206      0.00000

 k-point   117 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.3847      2.00000
      2      -1.2689      2.00000
      3       2.0706      2.00000
      4       2.4312      2.00000
      5       9.0233      0.00000
      6       9.2160      0.00000
      7      11.5603      0.00000
      8      13.1374      0.00000
      9      15.5480      0.00000
     10      16.9910      0.00000
     11      18.4109      0.00000
     12      19.7371      0.00000
     13      21.5308      0.00000
     14      22.3556      0.00000
     15      22.8120      0.00000
     16      24.1475      0.00000

 k-point   118 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.7562      2.00000
      2       0.1641      2.00000
      3       2.9153      2.00000
      4       3.2839      2.00000
      5       7.4171      0.00000
      6       8.2222      0.00000
      7      12.3329      0.00000
      8      13.7200      0.00000
      9      16.0899      0.00000
     10      17.2095      0.00000
     11      17.8273      0.00000
     12      19.2198      0.00000
     13      20.0492      0.00000
     14      20.7263      0.00000
     15      22.1672      0.00000
     16      22.8006      0.00000

 k-point   119 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.8694      2.00000
      2       0.2812      2.00000
      3       3.4029      2.00000
      4       3.4029      2.00000
      5       6.6270      0.00000
      6       7.5913      0.00000
      7      13.7721      0.00000
      8      13.7721      0.00000
      9      16.2976      0.00000
     10      16.4272      0.00000
     11      19.1213      0.00000
     12      19.1213      0.00000
     13      19.4069      0.00000
     14      21.4077      0.00000
     15      21.6729      0.00000
     16      22.6159      0.00000

 k-point   120 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.2479      2.00000
      2      -0.5297      2.00000
      3       2.8417      2.00000
      4       3.3003      2.00000
      5       6.8300      0.00000
      6       7.6477      0.00000
      7      14.1072      0.00000
      8      14.1172      0.00000
      9      17.4122      0.00000
     10      17.5114      0.00000
     11      17.7153      0.00000
     12      18.0032      0.00000
     13      20.5125      0.00000
     14      21.0533      0.00000
     15      21.6342      0.00000
     16      23.7552      0.00000

 k-point   121 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.5628      2.00000
      2      -1.2390      2.00000
      3       2.0181      2.00000
      4       3.3772      2.00000
      5       6.9939      0.00000
      6       8.8880      0.00000
      7      13.8343      0.00000
      8      13.9657      0.00000
      9      15.7198      0.00000
     10      15.7408      0.00000
     11      19.2281      0.00000
     12      19.6967      0.00000
     13      21.1398      0.00000
     14      21.3178      0.00000
     15      21.9763      0.00000
     16      23.9273      0.00000

 k-point   122 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4658      2.00000
      2      -1.2779      2.00000
      3       1.4919      2.00000
      4       3.6261      2.00000
      5       7.2799      0.00000
      6      10.6430      0.00000
      7      13.1541      0.00000
      8      13.6063      0.00000
      9      13.9851      0.00000
     10      14.2058      0.00000
     11      20.6633      0.00000
     12      20.9949      0.00000
     13      21.3480      0.00000
     14      21.4725      0.00000
     15      21.7416      0.00000
     16      23.4476      0.00000

 k-point   123 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.0637      2.00000
      2      -1.7007      2.00000
      3       2.0126      2.00000
      4       2.9167      2.00000
      5       7.6196      0.00000
      6       8.9022      0.00000
      7      13.4049      0.00000
      8      13.6437      0.00000
      9      15.6462      0.00000
     10      16.3215      0.00000
     11      18.9380      0.00000
     12      19.7746      0.00000
     13      21.4589      0.00000
     14      22.1942      0.00000
     15      22.5381      0.00000
     16      22.9870      0.00000

 k-point   124 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.5892      2.00000
      2      -1.2542      2.00000
      3       2.7224      2.00000
      4       2.8366      2.00000
      5       7.3408      0.00000
      6       7.5957      0.00000
      7      13.8752      0.00000
      8      15.3461      0.00000
      9      15.7945      0.00000
     10      17.3033      0.00000
     11      18.0693      0.00000
     12      19.5555      0.00000
     13      19.7717      0.00000
     14      21.3569      0.00000
     15      22.4694      0.00000
     16      23.8906      0.00000

 k-point   125 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.6688      2.00000
      2      -1.2678      2.00000
      3       3.1466      2.00000
      4       3.1466      2.00000
      5       6.5773      0.00000
      6       6.8861      0.00000
      7      15.5002      0.00000
      8      15.5002      0.00000
      9      17.4962      0.00000
     10      17.4962      0.00000
     11      17.7026      0.00000
     12      18.2534      0.00000
     13      19.4092      0.00000
     14      19.5641      0.00000
     15      23.6945      0.00000
     16      24.5364      0.00000

 k-point   126 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.0176      2.00000
      2      -1.9110      2.00000
      3       2.6794      2.00000
      4       3.1731      2.00000
      5       6.7523      0.00000
      6       7.3580      0.00000
      7      15.4561      0.00000
      8      15.7222      0.00000
      9      16.0712      0.00000
     10      16.2465      0.00000
     11      19.1201      0.00000
     12      19.2128      0.00000
     13      19.3780      0.00000
     14      19.9402      0.00000
     15      23.6872      0.00000
     16      24.0584      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.405  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.178  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.178  -0.000   0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.178   0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.491  -0.799  -0.000   0.000   0.000   0.000   0.000  -0.000
 -0.799   0.800   0.000   0.000   0.000   0.000   0.000  -0.000
  0.000   0.000   1.036   0.000  -0.000  -0.575   0.000   0.000
  0.000   0.000   0.000   1.036   0.000   0.000  -0.575  -0.000
  0.000   0.000  -0.000   0.000   1.036   0.000  -0.000  -0.584
  0.000   0.000  -0.575   0.000   0.000   0.377   0.000  -0.000
  0.000  -0.000   0.000  -0.575  -0.000   0.000   0.377   0.000
 -0.000  -0.000   0.000  -0.000  -0.584  -0.000   0.000   0.387


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0210: real time    0.0210
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0090: real time    0.0094
    STRESS:  cpu time    0.1320: real time    0.1329
    FORCOR:  cpu time    0.0040: real time    0.0040
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.38997     3.38997     3.38997
  Ewald     -75.34278   -76.90605   -76.90605     0.00000    -0.00000     0.00000
  Hartree     5.11827     4.85148     4.85148     0.00000     0.00000     0.00000
  E(xc)     -25.41819   -25.41518   -25.41518    -0.00000    -0.00000    -0.00000
  Local     -30.41249   -28.48486   -28.48486     0.00001     0.00001     0.00001
  n-local    78.17165    76.03127    79.83202    -0.76696     0.31992     1.90088
  augment   -11.65617   -11.65600   -11.65600    -0.00001    -0.00001    -0.00001
  Kinetic    56.56829    56.80519    57.34576    -0.30468     0.65685     2.61802
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.41854     0.78649     0.78649     0.00000     0.00000     0.00000
  in kB      16.88237    31.72386    31.72386     0.00000     0.00000     0.00000
  external pressure =       26.78 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.72
      direct lattice vectors                 reciprocal lattice vectors
     2.735100200  2.694680000  0.000000000     0.182808659  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.182808659  0.185550789  0.185550789
     2.735100200  0.000000000  2.694680000     0.182808659 -0.185550789  0.185550789

  length of vectors
     3.839540781  3.810853002  3.839540781     0.319808062  0.319808062  0.319808062


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.175E-06 0.168E-06 0.150E-06   0.328E-14 -.224E-14 -.277E-15   -.652E-16 0.101E-16 -.467E-16   0.171E-07 0.541E-08 0.541E-08
   -.175E-06 -.168E-06 -.150E-06   -.303E-14 0.202E-14 0.152E-15   0.679E-16 -.803E-17 0.336E-16   -.171E-07 -.541E-08 -.541E-08
 -----------------------------------------------------------------------------------------------
   -.741E-15 0.404E-13 -.444E-13   0.250E-15 -.222E-15 -.125E-15   0.269E-17 0.210E-17 -.131E-16   -.480E-14 -.104E-14 -.427E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000     -0.000000     -0.000000
      1.36755      1.34734      1.34734         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.83569383 eV

  energy  without entropy=      -10.83569383  energy(sigma->0) =      -10.83569383
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.1079905E-01-0.108E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.1132293E+01 0.113E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0056


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   1/  7
  Displacement:        1/  2
  Total:               1/ 14
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     3.8108530023
 C/A-ratio  =     1.3930003589
  
  Lattice vectors:
  
 A1 = (   2.6542598000,   2.6946800000,   0.0000000000)
 A2 = (   2.6542598000,  -2.6946800000,   0.0000000000)
 A3 = (  -2.6542598000,   0.0000000000,  -2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000    90.000000    -1.000000    -0.000000    -0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     1.000000    -0.000000    -0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    6     1.000000   180.000000     0.000000    -0.000000     1.000000     0.000000     0.000000     0.000000
    7    -1.000000   180.000000    -0.000000    -0.707107    -0.707107     0.000000     0.000000     0.000000
    8     1.000000   180.000000     0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
    9    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
   10     1.000000    90.000000    -1.000000    -0.000000    -0.000000     0.250000    -0.750000     0.250000
   11    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
   12     1.000000    90.000000     1.000000    -0.000000    -0.000000     0.250000    -0.750000     0.250000
   13     1.000000   180.000000     0.000000    -0.707107     0.707107     0.250000    -0.750000     0.250000
   14    -1.000000   180.000000     0.000000    -0.000000     1.000000     0.250000    -0.750000     0.250000
   15     1.000000   180.000000    -0.000000    -0.707107    -0.707107     0.250000    -0.750000     0.250000
   16    -1.000000   180.000000     0.000000    -1.000000    -0.000000     0.250000    -0.750000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    126 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      8.000000
  0.181818 -0.000000 -0.000000      8.000000
  0.272727  0.000000 -0.000000      8.000000
  0.363636 -0.000000 -0.000000      8.000000
  0.454545  0.000000 -0.000000      8.000000
  0.090909  0.090909 -0.000000      4.000000
  0.181818  0.090909  0.000000     16.000000
  0.272727  0.090909  0.000000     16.000000
  0.363636  0.090909 -0.000000     16.000000
  0.454545  0.090909 -0.000000     16.000000
 -0.454545  0.090909  0.000000     16.000000
 -0.363636  0.090909  0.000000     16.000000
 -0.272727  0.090909  0.000000     16.000000
 -0.181818  0.090909  0.000000     16.000000
 -0.090909  0.090909  0.000000      8.000000
  0.181818  0.181818 -0.000000      4.000000
  0.272727  0.181818 -0.000000     16.000000
  0.363636  0.181818  0.000000     16.000000
  0.454545  0.181818  0.000000     16.000000
 -0.454545  0.181818 -0.000000     16.000000
 -0.363636  0.181818  0.000000     16.000000
 -0.272727  0.181818  0.000000     16.000000
 -0.181818  0.181818  0.000000      8.000000
  0.272727  0.272727 -0.000000      4.000000
  0.363636  0.272727 -0.000000     16.000000
  0.454545  0.272727 -0.000000     16.000000
 -0.454545  0.272727  0.000000     16.000000
 -0.363636  0.272727  0.000000     16.000000
 -0.272727  0.272727  0.000000      8.000000
  0.363636  0.363636 -0.000000      4.000000
  0.454545  0.363636 -0.000000     16.000000
 -0.454545  0.363636  0.000000     16.000000
 -0.363636  0.363636  0.000000      8.000000
  0.454545  0.454545 -0.000000      4.000000
 -0.454545  0.454545  0.000000      8.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818 -0.000000  0.090909      8.000000
  0.272727  0.000000  0.090909      8.000000
  0.363636 -0.000000  0.090909      8.000000
  0.454545 -0.000000  0.090909      8.000000
 -0.454545 -0.000000  0.090909      8.000000
 -0.363636  0.000000  0.090909      8.000000
 -0.272727 -0.000000  0.090909      8.000000
 -0.181818  0.000000  0.090909      8.000000
 -0.090909  0.000000  0.090909      4.000000
  0.272727  0.181818  0.090909      8.000000
  0.363636  0.181818  0.090909     16.000000
  0.454545  0.181818  0.090909     16.000000
 -0.454545  0.181818  0.090909     16.000000
  0.181818  0.272727  0.090909      8.000000
  0.363636  0.272727  0.090909      8.000000
  0.454545  0.272727  0.090909     16.000000
 -0.454545  0.272727  0.090909     16.000000
 -0.363636  0.272727  0.090909     16.000000
 -0.272727  0.272727  0.090909     16.000000
 -0.181818  0.272727  0.090909      8.000000
  0.181818  0.363636  0.090909     16.000000
  0.272727  0.363636  0.090909      8.000000
  0.454545  0.363636  0.090909      8.000000
 -0.454545  0.363636  0.090909     16.000000
 -0.363636  0.363636  0.090909     16.000000
 -0.272727  0.363636  0.090909      8.000000
  0.181818  0.454545  0.090909     16.000000
  0.272727  0.454545  0.090909     16.000000
  0.363636  0.454545  0.090909      8.000000
 -0.454545  0.454545  0.090909      8.000000
 -0.363636  0.454545  0.090909      8.000000
  0.181818 -0.454545  0.090909     16.000000
  0.272727 -0.454545  0.090909     16.000000
  0.363636 -0.454545  0.090909     16.000000
  0.454545 -0.454545  0.090909      8.000000
  0.181818 -0.363636  0.090909     16.000000
  0.272727 -0.363636  0.090909     16.000000
  0.363636 -0.363636  0.090909     16.000000
  0.454545 -0.363636  0.090909      8.000000
  0.181818 -0.272727  0.090909     16.000000
  0.272727 -0.272727  0.090909     16.000000
  0.363636 -0.272727  0.090909      8.000000
  0.181818 -0.181818  0.090909     16.000000
  0.272727 -0.181818  0.090909      8.000000
  0.181818 -0.090909  0.090909      8.000000
  0.181818  0.000000  0.181818      2.000000
  0.272727  0.000000  0.181818      8.000000
  0.363636 -0.000000  0.181818      8.000000
  0.454545  0.000000  0.181818      8.000000
 -0.454545 -0.000000  0.181818      8.000000
 -0.363636  0.000000  0.181818      8.000000
 -0.272727 -0.000000  0.181818      8.000000
 -0.181818  0.000000  0.181818      4.000000
 -0.454545  0.363636  0.181818      8.000000
 -0.363636  0.363636  0.181818     16.000000
  0.272727  0.454545  0.181818      8.000000
 -0.363636  0.454545  0.181818      8.000000
 -0.272727  0.454545  0.181818      8.000000
  0.272727 -0.454545  0.181818     16.000000
  0.363636 -0.454545  0.181818      8.000000
  0.272727 -0.363636  0.181818     16.000000
  0.363636 -0.363636  0.181818     16.000000
  0.454545 -0.363636  0.181818      8.000000
  0.272727 -0.272727  0.181818     16.000000
  0.363636 -0.272727  0.181818     16.000000
  0.454545 -0.272727  0.181818      8.000000
  0.272727 -0.181818  0.181818     16.000000
  0.363636 -0.181818  0.181818      8.000000
  0.272727 -0.090909  0.181818      8.000000
  0.272727  0.000000  0.272727      2.000000
  0.363636  0.000000  0.272727      8.000000
  0.454545  0.000000  0.272727      8.000000
 -0.454545 -0.000000  0.272727      8.000000
 -0.363636  0.000000  0.272727      8.000000
 -0.272727 -0.000000  0.272727      4.000000
  0.363636 -0.363636  0.272727      8.000000
  0.363636 -0.272727  0.272727     16.000000
  0.454545 -0.272727  0.272727      8.000000
  0.363636 -0.181818  0.272727     16.000000
  0.454545 -0.181818  0.272727      8.000000
  0.363636 -0.090909  0.272727      8.000000
  0.363636  0.000000  0.363636      2.000000
  0.454545  0.000000  0.363636      8.000000
 -0.454545 -0.000000  0.363636      8.000000
 -0.363636  0.000000  0.363636      4.000000
  0.454545 -0.181818  0.363636      8.000000
  0.454545 -0.090909  0.363636      8.000000
  0.454545  0.000000  0.454545      2.000000
 -0.454545  0.000000  0.454545      4.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.017125  0.016868 -0.016868      8.000000
  0.034250  0.033737 -0.033737      8.000000
  0.051375  0.050605 -0.050605      8.000000
  0.068501  0.067473 -0.067473      8.000000
  0.085626  0.084341 -0.084341      8.000000
  0.000000  0.033737  0.000000      4.000000
  0.017125  0.050605 -0.016868     16.000000
  0.034250  0.067473 -0.033737     16.000000
  0.051375  0.084341 -0.050605     16.000000
  0.068501  0.101210 -0.067473     16.000000
 -0.102751 -0.067473  0.101210     16.000000
 -0.085626 -0.050605  0.084341     16.000000
 -0.068501 -0.033737  0.067473     16.000000
 -0.051375 -0.016868  0.050605     16.000000
 -0.034250  0.000000  0.033737      8.000000
  0.000000  0.067473  0.000000      4.000000
  0.017125  0.084341 -0.016868     16.000000
  0.034250  0.101210 -0.033737     16.000000
  0.051375  0.118078 -0.050605     16.000000
 -0.119876 -0.050605  0.118078     16.000000
 -0.102751 -0.033737  0.101210     16.000000
 -0.085626 -0.016868  0.084341     16.000000
 -0.068501  0.000000  0.067473      8.000000
 -0.000000  0.101210 -0.000000      4.000000
  0.017125  0.118078 -0.016868     16.000000
  0.034250  0.134946 -0.033737     16.000000
 -0.137001 -0.033737  0.134946     16.000000
 -0.119876 -0.016868  0.118078     16.000000
 -0.102751  0.000000  0.101210      8.000000
  0.000000  0.134946  0.000000      4.000000
  0.017125  0.151814 -0.016868     16.000000
 -0.154126 -0.016868  0.151814     16.000000
 -0.137001  0.000000  0.134946      8.000000
 -0.000000  0.168683 -0.000000      4.000000
 -0.171251 -0.000000  0.168683      8.000000
  0.034250  0.000000  0.000000      2.000000
  0.051375  0.016868 -0.016868      8.000000
  0.068501  0.033737 -0.033737      8.000000
  0.085626  0.050605 -0.050605      8.000000
  0.102751  0.067473 -0.067473      8.000000
 -0.068501 -0.101210  0.101210      8.000000
 -0.051375 -0.084341  0.084341      8.000000
 -0.034250 -0.067473  0.067473      8.000000
 -0.017125 -0.050605  0.050605      8.000000
  0.000000 -0.033737  0.033737      4.000000
  0.034250  0.067473  0.000000      8.000000
  0.051375  0.084341 -0.016868     16.000000
  0.068501  0.101210 -0.033737     16.000000
 -0.102751 -0.067473  0.134946     16.000000
  0.000000  0.067473  0.033737      8.000000
  0.034250  0.101210  0.000000      8.000000
  0.051375  0.118078 -0.016868     16.000000
 -0.119876 -0.050605  0.151814     16.000000
 -0.102751 -0.033737  0.134946     16.000000
 -0.085626 -0.016868  0.118078     16.000000
 -0.068501  0.000000  0.101210      8.000000
 -0.017125  0.084341  0.050605     16.000000
  0.000000  0.101210  0.033737      8.000000
  0.034250  0.134946 -0.000000      8.000000
 -0.137001 -0.033737  0.168683     16.000000
 -0.119876 -0.016868  0.151814     16.000000
 -0.102751  0.000000  0.134946      8.000000
 -0.034250  0.101210  0.067473     16.000000
 -0.017125  0.118078  0.050605     16.000000
 -0.000000  0.134946  0.033737      8.000000
 -0.154126 -0.016868  0.185551      8.000000
 -0.137001  0.000000  0.168683      8.000000
  0.137001 -0.067473 -0.101210     16.000000
  0.154126 -0.050605 -0.118078     16.000000
  0.171251 -0.033737 -0.134946     16.000000
  0.188376 -0.016868 -0.151814      8.000000
  0.119876 -0.050605 -0.084341     16.000000
  0.137001 -0.033737 -0.101210     16.000000
  0.154126 -0.016868 -0.118078     16.000000
  0.171251  0.000000 -0.134946      8.000000
  0.102751 -0.033737 -0.067473     16.000000
  0.119876 -0.016868 -0.084341     16.000000
  0.137001  0.000000 -0.101210      8.000000
  0.085626 -0.016868 -0.050605     16.000000
  0.102751  0.000000 -0.067473      8.000000
  0.068501  0.000000 -0.033737      8.000000
  0.068501  0.000000  0.000000      2.000000
  0.085626  0.016868 -0.016868      8.000000
  0.102751  0.033737 -0.033737      8.000000
  0.119876  0.050605 -0.050605      8.000000
 -0.051375 -0.118078  0.118078      8.000000
 -0.034250 -0.101210  0.101210      8.000000
 -0.017125 -0.084341  0.084341      8.000000
  0.000000 -0.067473  0.067473      4.000000
 -0.119876 -0.050605  0.185551      8.000000
 -0.102751 -0.033737  0.168683     16.000000
  0.000000  0.101210  0.067473      8.000000
 -0.119876 -0.016868  0.185551      8.000000
 -0.102751 -0.000000  0.168683      8.000000
  0.171251 -0.067473 -0.101210     16.000000
  0.188376 -0.050605 -0.118078      8.000000
  0.154126 -0.050605 -0.084341     16.000000
  0.171251 -0.033737 -0.101210     16.000000
  0.188376 -0.016868 -0.118078      8.000000
  0.137001 -0.033737 -0.067473     16.000000
  0.154126 -0.016868 -0.084341     16.000000
  0.171251  0.000000 -0.101210      8.000000
  0.119876 -0.016868 -0.050605     16.000000
  0.137001  0.000000 -0.067473      8.000000
  0.102751  0.000000 -0.033737      8.000000
  0.102751  0.000000  0.000000      2.000000
  0.119876  0.016868 -0.016868      8.000000
  0.137001  0.033737 -0.033737      8.000000
 -0.034250 -0.134946  0.134946      8.000000
 -0.017125 -0.118078  0.118078      8.000000
  0.000000 -0.101210  0.101210      4.000000
  0.188376 -0.050605 -0.084341      8.000000
  0.171251 -0.033737 -0.067473     16.000000
  0.188376 -0.016868 -0.084341      8.000000
  0.154126 -0.016868 -0.050605     16.000000
  0.171251  0.000000 -0.067473      8.000000
  0.137001  0.000000 -0.033737      8.000000
  0.137001  0.000000  0.000000      2.000000
  0.154126  0.016868 -0.016868      8.000000
 -0.017125 -0.151814  0.151814      8.000000
  0.000000 -0.134946  0.134946      4.000000
  0.188376 -0.016868 -0.050605      8.000000
  0.171251  0.000000 -0.033737      8.000000
  0.171251  0.000000  0.000000      2.000000
 -0.000000 -0.168683  0.168683      4.000000
 
    WAVPRE:  cpu time    0.0760: real time    0.0804
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0210: real time    0.0204
    ORTHCH:  cpu time    0.1120: real time    0.1121
     LOOP+:  cpu time    3.1165: real time    3.1315


--------------------------------------- Iteration      3(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0070: real time    0.0086
    SETDIJ:  cpu time    0.0020: real time    0.0016
    EDDIAG:  cpu time    0.2100: real time    0.2095
  RMM-DIIS:  cpu time    0.1960: real time    0.1967
    ORTHCH:  cpu time    0.1100: real time    0.1093
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0207
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5469: real time    0.5479

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.2649833E-01  (-0.1365034E-01)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4574134 magnetization 

 Broyden mixing:
  rms(total) = 0.30602E-01    rms(broyden)= 0.30598E-01
  rms(prec ) = 0.10702E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.97010785
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.77981304
  PAW double counting   =        74.60620369      -39.65122726
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.81951362
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80919642 eV

  energy without entropy =      -10.80919642  energy(sigma->0) =      -10.80919642


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.2050: real time    0.2044
  RMM-DIIS:  cpu time    0.1890: real time    0.1890
    ORTHCH:  cpu time    0.1090: real time    0.1094
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0208
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5299: real time    0.5306

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3032424E-02  (-0.8413368E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4584076 magnetization 

 Broyden mixing:
  rms(total) = 0.17956E-01    rms(broyden)= 0.17955E-01
  rms(prec ) = 0.61647E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3458
  2.3458

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.74532425
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78671834
  PAW double counting   =        74.91409450      -39.96665180
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.61220148
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80616400 eV

  energy without entropy =      -10.80616400  energy(sigma->0) =      -10.80616400


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.2040: real time    0.2046
  RMM-DIIS:  cpu time    0.1890: real time    0.1890
    ORTHCH:  cpu time    0.1100: real time    0.1091
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0200: real time    0.0205
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5309: real time    0.5302

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.1512735E-02  (-0.1347643E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4600580 magnetization 

 Broyden mixing:
  rms(total) = 0.25074E-02    rms(broyden)= 0.25072E-02
  rms(prec ) = 0.58626E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1594
  2.0674  2.2513

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46138208
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.79097827
  PAW double counting   =        75.47000925      -40.53648746
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.34795288
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80465126 eV

  energy without entropy =      -10.80465126  energy(sigma->0) =      -10.80465126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.2030: real time    0.2034
  RMM-DIIS:  cpu time    0.1890: real time    0.1890
    ORTHCH:  cpu time    0.1100: real time    0.1093
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0205
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5289: real time    0.5291

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.6226890E-05  (-0.2345550E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601139 magnetization 

 Broyden mixing:
  rms(total) = 0.63752E-03    rms(broyden)= 0.63748E-03
  rms(prec ) = 0.14904E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0116
  1.0500  2.2270  2.7577

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46904350
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78746058
  PAW double counting   =        75.61087366      -40.68267987
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35741838
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80465749 eV

  energy without entropy =      -10.80465749  energy(sigma->0) =      -10.80465749


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.2040: real time    0.2043
  RMM-DIIS:  cpu time    0.1900: real time    0.1891
    ORTHCH:  cpu time    0.1090: real time    0.1092
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0205
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5299: real time    0.5301

 eigenvalue-minimisations  :  3867
 total energy-change (2. order) :-0.3111599E-05  (-0.2138060E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601290 magnetization 

 Broyden mixing:
  rms(total) = 0.11401E-03    rms(broyden)= 0.11399E-03
  rms(prec ) = 0.29432E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0398
  0.9969  2.7844  2.1889  2.1889

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46900995
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78657091
  PAW double counting   =        75.64830138      -40.72174314
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35812760
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80466060 eV

  energy without entropy =      -10.80466060  energy(sigma->0) =      -10.80466060


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.2050: real time    0.2042
  RMM-DIIS:  cpu time    0.1840: real time    0.1842
    ORTHCH:  cpu time    0.1090: real time    0.1093
       DOS:  cpu time    0.0010: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time    0.5039: real time    0.5045

 eigenvalue-minimisations  :  2791
 total energy-change (2. order) : 0.5602174E-06  (-0.1522450E-07)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601290 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46778336
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78691178
  PAW double counting   =        75.63210766      -40.70519449
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35688751
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80466004 eV

  energy without entropy =      -10.80466004  energy(sigma->0) =      -10.80466004


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.8162       2 -82.8162
 
 
 
 E-fermi :   6.3288     XC(G=0):  -9.5591     alpha+bet :-12.4444


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0057      2.00000
      2       6.1833      2.00000
      3       6.1833      2.00000
      4       6.2898      2.00000
      5       8.7655      0.00000
      6       8.8196      0.00000
      7       8.8196      0.00000
      8      10.0333      0.00000
      9      13.8280      0.00000
     10      14.1055      0.00000
     11      14.3319      0.00000
     12      17.4563      0.00000
     13      17.4563      0.00000
     14      17.9049      0.00000
     15      21.8834      0.00000
     16      29.9619      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.8939      2.00000
      2       5.2265      2.00000
      3       6.0049      2.00000
      4       6.0855      2.00000
      5       8.8836      0.00000
      6       9.0504      0.00000
      7       9.0742      0.00000
      8      10.7455      0.00000
      9      13.5212      0.00000
     10      13.7642      0.00000
     11      14.7973      0.00000
     12      17.2149      0.00000
     13      18.1306      0.00000
     14      18.4615      0.00000
     15      22.6112      0.00000
     16      28.7583      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.5623      2.00000
      2       3.5143      2.00000
      3       5.6431      2.00000
      4       5.7410      2.00000
      5       8.6299      0.00000
      6       9.5444      0.00000
      7       9.5450      0.00000
      8      12.2878      0.00000
      9      13.2021      0.00000
     10      13.3588      0.00000
     11      15.5201      0.00000
     12      17.1443      0.00000
     13      19.6563      0.00000
     14      19.9879      0.00000
     15      24.1682      0.00000
     16      26.2986      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0273      2.00000
      2       1.8068      2.00000
      3       5.3004      2.00000
      4       5.4191      2.00000
      5       8.2944      0.00000
      6       9.7427      0.00000
      7       9.8130      0.00000
      8      13.5816      0.00000
      9      13.5942      0.00000
     10      13.8045      0.00000
     11      15.3008      0.00000
     12      18.8283      0.00000
     13      21.3092      0.00000
     14      21.5199      0.00000
     15      23.9442      0.00000
     16      24.0686      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.3394      2.00000
      2       0.3013      2.00000
      3       5.0551      2.00000
      4       5.1912      2.00000
      5       8.0363      0.00000
      6       9.6303      0.00000
      7       9.7481      0.00000
      8      14.2064      0.00000
      9      14.6576      0.00000
     10      14.7425      0.00000
     11      16.0815      0.00000
     12      20.3733      0.00000
     13      20.5803      0.00000
     14      20.6995      0.00000
     15      23.2846      0.00000
     16      24.6612      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.6955      2.00000
      2      -0.7593      2.00000
      3       4.9301      2.00000
      4       5.0760      2.00000
      5       7.9015      0.00000
      6       9.4988      0.00000
      7       9.6313      0.00000
      8      14.0275      0.00000
      9      16.2015      0.00000
     10      16.3551      0.00000
     11      17.5426      0.00000
     12      18.3665      0.00000
     13      18.5396      0.00000
     14      20.1299      0.00000
     15      24.9227      0.00000
     16      27.1656      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.8577      2.00000
      2       5.4129      2.00000
      3       5.6816      2.00000
      4       5.7601      2.00000
      5       8.4929      0.00000
      6       9.4447      0.00000
      7       9.5396      0.00000
      8      10.7156      0.00000
      9      12.9940      0.00000
     10      14.1979      0.00000
     11      14.9454      0.00000
     12      17.7153      0.00000
     13      18.1470      0.00000
     14      18.1694      0.00000
     15      22.8491      0.00000
     16      27.9660      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.5999      2.00000
      2       4.0369      2.00000
      3       5.3065      2.00000
      4       5.4949      2.00000
      5       8.5442      0.00000
      6       9.6308      0.00000
      7      10.1152      0.00000
      8      11.3777      0.00000
      9      12.9376      0.00000
     10      14.1357      0.00000
     11      15.7791      0.00000
     12      17.4848      0.00000
     13      18.7788      0.00000
     14      19.6947      0.00000
     15      24.1838      0.00000
     16      25.9750      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1315      2.00000
      2       2.3721      2.00000
      3       4.9753      2.00000
      4       5.1071      2.00000
      5       8.7190      0.00000
      6       9.5788      0.00000
      7      10.4735      0.00000
      8      11.6177      0.00000
      9      14.2180      0.00000
     10      14.3306      0.00000
     11      15.9400      0.00000
     12      18.3250      0.00000
     13      20.2985      0.00000
     14      21.5012      0.00000
     15      23.5755      0.00000
     16      24.2991      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.4857      2.00000
      2       0.8140      2.00000
      3       4.6749      2.00000
      4       4.8210      2.00000
      5       8.6007      0.00000
      6       9.5250      0.00000
      7      10.3882      0.00000
      8      12.4557      0.00000
      9      15.2085      0.00000
     10      15.2402      0.00000
     11      16.1482      0.00000
     12      20.0279      0.00000
     13      20.1832      0.00000
     14      21.7134      0.00000
     15      23.4272      0.00000
     16      24.0069      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.7826      2.00000
      2      -0.4293      2.00000
      3       4.3727      2.00000
      4       4.7757      2.00000
      5       8.4754      0.00000
      6       9.4463      0.00000
      7      10.1296      0.00000
      8      13.7553      0.00000
      9      15.0960      0.00000
     10      16.6539      0.00000
     11      17.6622      0.00000
     12      18.1998      0.00000
     13      19.1903      0.00000
     14      21.6633      0.00000
     15      24.1167      0.00000
     16      25.6396      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.4906      2.00000
      2      -0.8582      2.00000
      3       4.1880      2.00000
      4       4.8828      2.00000
      5       8.4596      0.00000
      6       9.4964      0.00000
      7       9.9316      0.00000
      8      14.3944      0.00000
      9      15.7344      0.00000
     10      15.9889      0.00000
     11      17.4538      0.00000
     12      18.7385      0.00000
     13      19.2760      0.00000
     14      20.4110      0.00000
     15      25.4679      0.00000
     16      26.6861      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0002      2.00000
      2      -0.0760      2.00000
      3       4.1493      2.00000
      4       5.1183      2.00000
      5       8.5659      0.00000
      6       9.7027      0.00000
      7       9.8551      0.00000
      8      14.1038      0.00000
      9      14.3004      0.00000
     10      15.5265      0.00000
     11      17.8704      0.00000
     12      18.4632      0.00000
     13      20.7754      0.00000
     14      21.2622      0.00000
     15      23.2902      0.00000
     16      24.6683      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7103      2.00000
      2       1.3024      2.00000
      3       4.2732      2.00000
      4       5.4508      2.00000
      5       8.7818      0.00000
      6       9.7984      0.00000
      7       9.9552      0.00000
      8      13.0240      0.00000
      9      13.1244      0.00000
     10      15.6339      0.00000
     11      16.1796      0.00000
     12      19.3074      0.00000
     13      20.6475      0.00000
     14      22.4022      0.00000
     15      22.5365      0.00000
     16      24.3420      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3049      2.00000
      2       2.9079      2.00000
      3       4.5759      2.00000
      4       5.8225      2.00000
      5       9.0676      0.00000
      6       9.5191      0.00000
      7       9.8837      0.00000
      8      12.2583      0.00000
      9      12.6155      0.00000
     10      14.6577      0.00000
     11      16.0422      0.00000
     12      17.7025      0.00000
     13      19.4304      0.00000
     14      21.4841      0.00000
     15      23.8433      0.00000
     16      25.0411      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7072      2.00000
      2       4.4288      2.00000
      3       5.1513      2.00000
      4       6.1003      2.00000
      5       9.0859      0.00000
      6       9.2777      0.00000
      7       9.3266      0.00000
      8      11.5391      0.00000
      9      12.9655      0.00000
     10      13.8692      0.00000
     11      15.4624      0.00000
     12      17.4096      0.00000
     13      18.0428      0.00000
     14      19.7363      0.00000
     15      23.6788      0.00000
     16      26.3744      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4162      2.00000
      2       3.9112      2.00000
      3       4.8387      2.00000
      4       4.8881      2.00000
      5       7.8296      0.00000
      6      10.4289      0.00000
      7      10.8116      0.00000
      8      10.9726      0.00000
      9      13.2437      0.00000
     10      14.6836      0.00000
     11      16.4506      0.00000
     12      18.4763      0.00000
     13      18.8510      0.00000
     14      19.2457      0.00000
     15      25.3075      0.00000
     16      25.8879      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0179      2.00000
      2       2.7230      2.00000
      3       4.4150      2.00000
      4       4.5189      2.00000
      5       7.8894      0.00000
      6       9.9564      0.00000
      7      11.1549      0.00000
      8      11.5216      0.00000
      9      14.5488      0.00000
     10      15.0119      0.00000
     11      17.2170      0.00000
     12      18.6133      0.00000
     13      19.5808      0.00000
     14      20.8968      0.00000
     15      23.5224      0.00000
     16      24.1782      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
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     10      16.3056      0.00000
     11      16.9506      0.00000
     12      19.8172      0.00000
     13      19.9196      0.00000
     14      21.6255      0.00000
     15      22.5527      0.00000
     16      23.9090      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
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      2       0.0179      2.00000
      3       3.3523      2.00000
      4       4.2888      2.00000
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     10      17.1372      0.00000
     11      18.0279      0.00000
     12      18.2347      0.00000
     13      19.3424      0.00000
     14      22.7057      0.00000
     15      24.2925      0.00000
     16      24.7770      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.1990      2.00000
      2      -0.7368      2.00000
      3       2.9994      2.00000
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     10      15.8820      0.00000
     11      17.9205      0.00000
     12      19.1743      0.00000
     13      20.1681      0.00000
     14      22.4897      0.00000
     15      25.2634      0.00000
     16      25.6146      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
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      3       2.8352      2.00000
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     10      15.1374      0.00000
     11      17.7472      0.00000
     12      20.5170      0.00000
     13      21.1924      0.00000
     14      21.6988      0.00000
     15      22.9509      0.00000
     16      25.4135      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
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      2       0.8556      2.00000
      3       2.9098      2.00000
      4       5.1230      2.00000
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     10      16.5491      0.00000
     11      18.4265      0.00000
     12      18.5925      0.00000
     13      20.3590      0.00000
     14      22.4803      0.00000
     15      23.1447      0.00000
     16      24.3059      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.8386      2.00000
      2       2.0978      2.00000
      3       3.3993      2.00000
      4       5.5512      2.00000
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     10      16.5837      0.00000
     11      17.0618      0.00000
     12      17.9356      0.00000
     13      20.2040      0.00000
     14      21.5948      0.00000
     15      23.1047      0.00000
     16      25.2327      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.6895      2.00000
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      9      15.0898      0.00000
     10      15.5293      0.00000
     11      18.3546      0.00000
     12      19.5815      0.00000
     13      19.7921      0.00000
     14      20.5051      0.00000
     15      23.3594      0.00000
     16      23.7095      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1605      2.00000
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      3       3.5487      2.00000
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      5       7.3545      0.00000
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     10      16.6517      0.00000
     11      18.5536      0.00000
     12      19.7811      0.00000
     13      20.2632      0.00000
     14      21.2817      0.00000
     15      22.3449      0.00000
     16      23.3612      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.4757      2.00000
      2       0.2164      2.00000
      3       2.7698      2.00000
      4       3.8290      2.00000
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     10      17.6011      0.00000
     11      18.1348      0.00000
     12      18.5616      0.00000
     13      20.1540      0.00000
     14      22.1645      0.00000
     15      23.2806      0.00000
     16      24.9635      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     10      16.1128      0.00000
     11      19.5144      0.00000
     12      19.5492      0.00000
     13      20.4610      0.00000
     14      24.0428      0.00000
     15      24.3702      0.00000
     16      24.7974      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     10      14.3514      0.00000
     11      19.4328      0.00000
     12      21.5340      0.00000
     13      21.8252      0.00000
     14      22.5611      0.00000
     15      23.3176      0.00000
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 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     10      15.2090      0.00000
     11      19.3810      0.00000
     12      20.1226      0.00000
     13      20.9860      0.00000
     14      23.1692      0.00000
     15      23.7142      0.00000
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 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
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     12      19.7695      0.00000
     13      20.0421      0.00000
     14      21.9037      0.00000
     15      22.1689      0.00000
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     11      18.3033      0.00000
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     13      21.0901      0.00000
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     15      22.1794      0.00000
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 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     10      16.3872      0.00000
     11      19.6764      0.00000
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     13      21.6797      0.00000
     14      21.8737      0.00000
     15      22.6734      0.00000
     16      24.5911      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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     10      14.6976      0.00000
     11      21.2565      0.00000
     12      21.5698      0.00000
     13      22.0703      0.00000
     14      22.0810      0.00000
     15      22.3383      0.00000
     16      24.1678      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.4523      2.00000
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     10      18.0351      0.00000
     11      18.1689      0.00000
     12      19.0230      0.00000
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     14      20.3569      0.00000
     15      24.2749      0.00000
     16      25.1647      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -1.7797      2.00000
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     10      16.7197      0.00000
     11      19.4947      0.00000
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     13      20.1674      0.00000
     14      20.6689      0.00000
     15      24.3303      0.00000
     16      24.6792      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.2706      2.00000
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     10      14.8916      0.00000
     11      16.6252      0.00000
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     13      18.9849      0.00000
     14      21.2242      0.00000
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 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7387      2.00000
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     10      16.4824      0.00000
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     12      18.6968      0.00000
     13      20.3459      0.00000
     14      21.8729      0.00000
     15      22.5006      0.00000
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 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.0528      2.00000
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     10      16.1679      0.00000
     11      18.2745      0.00000
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     13      20.6207      0.00000
     14      21.7541      0.00000
     15      23.3280      0.00000
     16      24.5766      0.00000

 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4050      2.00000
      2      -0.6194      2.00000
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     10      16.1456      0.00000
     11      17.5365      0.00000
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     13      20.2171      0.00000
     14      22.0794      0.00000
     15      24.2232      0.00000
     16      26.1524      0.00000

 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5537      2.00000
      2       1.8564      2.00000
      3       3.5684      2.00000
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     10      16.6177      0.00000
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     13      20.2695      0.00000
     14      21.7715      0.00000
     15      21.9260      0.00000
     16      24.1626      0.00000

 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9127      2.00000
      2       0.7411      2.00000
      3       2.9629      2.00000
      4       4.0062      2.00000
      5       8.4097      0.00000
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     10      17.2240      0.00000
     11      18.5785      0.00000
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     13      20.5316      0.00000
     14      21.1790      0.00000
     15      22.8336      0.00000
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.2072      2.00000
      2      -0.3132      2.00000
      3       2.5568      2.00000
      4       3.8416      2.00000
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     10      16.9880      0.00000
     11      18.0498      0.00000
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     14      22.8315      0.00000
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9187      2.00000
      2      -0.6873      2.00000
      3       2.3153      2.00000
      4       3.9323      2.00000
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     10      16.2849      0.00000
     11      18.4991      0.00000
     12      19.4030      0.00000
     13      22.4220      0.00000
     14      22.8292      0.00000
     15      23.7655      0.00000
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.4505      2.00000
      2       0.0372      2.00000
      3       2.3003      2.00000
      4       4.2386      2.00000
      5       9.1892      0.00000
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     11      18.7172      0.00000
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     14      21.4875      0.00000
     15      24.2118      0.00000
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1556      2.00000
      2       1.0595      2.00000
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      4       4.6755      2.00000
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     10      16.9845      0.00000
     11      18.6601      0.00000
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     13      19.9684      0.00000
     14      22.3119      0.00000
     15      22.5884      0.00000
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 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5759      2.00000
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      4       3.5019      2.00000
      5       7.6661      0.00000
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     10      17.8733      0.00000
     11      18.5920      0.00000
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     14      21.1395      0.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8671      2.00000
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      3       2.3945      2.00000
      4       3.3070      2.00000
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     10      17.5088      0.00000
     11      18.3897      0.00000
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     14      21.5112      0.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3640      2.00000
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      3       1.8348      2.00000
      4       3.4239      2.00000
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     10      16.4023      0.00000
     11      19.4634      0.00000
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     13      22.1106      0.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.7596      2.00000
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     10      15.0401      0.00000
     11      20.4969      0.00000
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 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.3709      2.00000
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     10      17.6502      0.00000
     11      18.3973      0.00000
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     14      22.1714      0.00000
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 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.8328      2.00000
      2      -1.4603      2.00000
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      9      15.9866      0.00000
     10      16.6248      0.00000
     11      19.3445      0.00000
     12      20.1671      0.00000
     13      22.2541      0.00000
     14      23.0416      0.00000
     15      23.1661      0.00000
     16      23.5188      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.2430      2.00000
      2       0.0457      2.00000
      3       2.2703      2.00000
      4       3.4965      2.00000
      5       9.4141      0.00000
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     10      15.8268      0.00000
     11      19.8577      0.00000
     12      20.5611      0.00000
     13      20.5893      0.00000
     14      21.0628      0.00000
     15      23.1670      0.00000
     16      24.6495      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.5779      2.00000
      2      -0.6817      2.00000
      3       1.9715      2.00000
      4       3.1580      2.00000
      5       9.7612      0.00000
      6      10.2290      0.00000
      7      11.5199      0.00000
      8      13.4456      0.00000
      9      14.3894      0.00000
     10      16.9634      0.00000
     11      18.8991      0.00000
     12      20.3426      0.00000
     13      21.8729      0.00000
     14      23.1193      0.00000
     15      23.4163      0.00000
     16      25.3448      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.1650      2.00000
      2      -1.0305      2.00000
      3       2.2184      2.00000
      4       2.6148      2.00000
      5       9.3196      0.00000
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      7      12.1113      0.00000
      8      13.7284      0.00000
      9      15.9006      0.00000
     10      17.3943      0.00000
     11      18.7932      0.00000
     12      20.1414      0.00000
     13      21.9937      0.00000
     14      23.1640      0.00000
     15      23.4009      0.00000
     16      24.8025      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -1.9483      2.00000
      2      -1.2025      2.00000
      3       1.9133      2.00000
      4       2.6507      2.00000
      5       9.6818      0.00000
      6      10.9628      0.00000
      7      11.8576      0.00000
      8      11.8945      0.00000
      9      15.9260      0.00000
     10      17.0347      0.00000
     11      19.1115      0.00000
     12      20.3241      0.00000
     13      22.0090      0.00000
     14      23.0633      0.00000
     15      24.7207      0.00000
     16      24.9847      0.00000

 k-point    57 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.8537      2.00000
      2       5.5118      2.00000
      3       5.6607      2.00000
      4       5.6607      2.00000
      5       8.4207      0.00000
      6       9.5203      0.00000
      7       9.5203      0.00000
      8      10.7121      0.00000
      9      13.2655      0.00000
     10      13.9939      0.00000
     11      14.9735      0.00000
     12      17.7272      0.00000
     13      17.7272      0.00000
     14      18.3613      0.00000
     15      23.0599      0.00000
     16      28.3507      0.00000

 k-point    58 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.5921      2.00000
      2       4.0487      2.00000
      3       5.2418      2.00000
      4       5.5243      2.00000
      5       8.4486      0.00000
      6       9.6747      0.00000
      7      10.1241      0.00000
      8      11.4082      0.00000
      9      13.1513      0.00000
     10      13.9791      0.00000
     11      15.8048      0.00000
     12      17.4043      0.00000
     13      18.6057      0.00000
     14      19.6968      0.00000
     15      24.4726      0.00000
     16      26.1816      0.00000

 k-point    59 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1202      2.00000
      2       2.3639      2.00000
      3       4.9044      2.00000
      4       5.1685      2.00000
      5       8.6208      0.00000
      6       9.6711      0.00000
      7      10.4322      0.00000
      8      11.6284      0.00000
      9      14.2602      0.00000
     10      14.3649      0.00000
     11      15.8925      0.00000
     12      18.3336      0.00000
     13      20.1381      0.00000
     14      21.5434      0.00000
     15      23.7244      0.00000
     16      24.4223      0.00000

 k-point    60 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.4721      2.00000
      2       0.8000      2.00000
      3       4.7057      2.00000
      4       4.7909      2.00000
      5       8.5090      0.00000
      6       9.6823      0.00000
      7      10.3007      0.00000
      8      12.3493      0.00000
      9      15.1966      0.00000
     10      15.2899      0.00000
     11      16.2510      0.00000
     12      20.1033      0.00000
     13      20.2327      0.00000
     14      21.7340      0.00000
     15      23.2659      0.00000
     16      23.9245      0.00000

 k-point    61 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.7705      2.00000
      2      -0.4400      2.00000
      3       4.4904      2.00000
      4       4.6606      2.00000
      5       8.3823      0.00000
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      8      13.6173      0.00000
      9      15.0445      0.00000
     10      16.7841      0.00000
     11      17.8314      0.00000
     12      18.2921      0.00000
     13      19.2466      0.00000
     14      21.4120      0.00000
     15      24.0974      0.00000
     16      25.4092      0.00000

 k-point    62 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.4919      2.00000
      2      -0.8522      2.00000
      3       4.3048      2.00000
      4       4.7651      2.00000
      5       8.3726      0.00000
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     10      16.0486      0.00000
     11      17.5092      0.00000
     12      18.9144      0.00000
     13      19.1568      0.00000
     14      20.3958      0.00000
     15      25.6548      0.00000
     16      26.7354      0.00000

 k-point    63 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.0106      2.00000
      2      -0.0571      2.00000
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      5       8.4973      0.00000
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     10      15.6179      0.00000
     11      17.6468      0.00000
     12      18.2634      0.00000
     13      20.9835      0.00000
     14      21.3573      0.00000
     15      23.4671      0.00000
     16      24.8930      0.00000

 k-point    64 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7206      2.00000
      2       1.3235      2.00000
      3       4.3661      2.00000
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     10      15.7939      0.00000
     11      15.9910      0.00000
     12      19.3353      0.00000
     13      20.5366      0.00000
     14      22.4960      0.00000
     15      22.5812      0.00000
     16      24.5288      0.00000

 k-point    65 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3124      2.00000
      2       2.9232      2.00000
      3       4.6549      2.00000
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      5       9.0455      0.00000
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      8      12.3252      0.00000
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     10      14.5216      0.00000
     11      16.1531      0.00000
     12      17.7947      0.00000
     13      19.7188      0.00000
     14      21.2157      0.00000
     15      23.5054      0.00000
     16      25.0037      0.00000

 k-point    66 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7111      2.00000
      2       4.4212      2.00000
      3       5.2334      2.00000
      4       6.0272      2.00000
      5       9.1214      0.00000
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      8      11.5582      0.00000
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     10      13.8499      0.00000
     11      15.4625      0.00000
     12      17.4868      0.00000
     13      18.4274      0.00000
     14      19.4683      0.00000
     15      23.5392      0.00000
     16      25.9630      0.00000

 k-point    67 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.2742      2.00000
      2       3.1833      2.00000
      3       4.3589      2.00000
      4       5.3344      2.00000
      5       8.6007      0.00000
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     10      14.7204      0.00000
     11      16.6883      0.00000
     12      17.9766      0.00000
     13      19.2569      0.00000
     14      20.9046      0.00000
     15      23.4895      0.00000
     16      25.4141      0.00000

 k-point    68 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7452      2.00000
      2       1.8287      2.00000
      3       3.7889      2.00000
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     10      16.2847      0.00000
     11      16.8507      0.00000
     12      18.8353      0.00000
     13      20.3031      0.00000
     14      21.8036      0.00000
     15      22.4884      0.00000
     16      24.6984      0.00000

 k-point    69 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.5568      2.00000
      2       1.8743      2.00000
      3       3.6174      2.00000
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     10      16.3832      0.00000
     11      17.9666      0.00000
     12      18.9835      0.00000
     13      20.2638      0.00000
     14      21.7957      0.00000
     15      21.8397      0.00000
     16      24.2388      0.00000

 k-point    70 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0606      2.00000
      2       0.4329      2.00000
      3       3.5354      2.00000
      4       4.6303      2.00000
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     10      16.2370      0.00000
     11      18.0626      0.00000
     12      18.3230      0.00000
     13      20.8845      0.00000
     14      21.9253      0.00000
     15      23.5299      0.00000
     16      24.5878      0.00000

 k-point    71 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9175      2.00000
      2       0.7655      2.00000
      3       3.0143      2.00000
      4       3.9741      2.00000
      5       8.3652      0.00000
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     10      17.0746      0.00000
     11      18.3296      0.00000
     12      18.9843      0.00000
     13      20.7777      0.00000
     14      21.4029      0.00000
     15      22.9726      0.00000
     16      24.8309      0.00000

 k-point    72 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5779      2.00000
      2       0.4617      2.00000
      3       3.1225      2.00000
      4       3.4875      2.00000
      5       7.6385      0.00000
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      8      14.3272      0.00000
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     10      17.5734      0.00000
     11      18.3005      0.00000
     12      19.8520      0.00000
     13      20.7117      0.00000
     14      21.3687      0.00000
     15      22.7156      0.00000
     16      23.4647      0.00000

 k-point    73 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.4078      2.00000
      2      -0.6027      2.00000
      3       3.4249      2.00000
      4       4.4291      2.00000
      5       8.9429      0.00000
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      9      15.0380      0.00000
     10      16.1969      0.00000
     11      17.7007      0.00000
     12      19.1614      0.00000
     13      19.9946      0.00000
     14      22.1099      0.00000
     15      24.5321      0.00000
     16      26.1648      0.00000

 k-point    74 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.2099      2.00000
      2      -0.2908      2.00000
      3       2.5929      2.00000
      4       3.8378      2.00000
      5       8.4844      0.00000
      6      10.4258      0.00000
      7      11.4396      0.00000
      8      12.8426      0.00000
      9      15.2923      0.00000
     10      17.1376      0.00000
     11      18.3314      0.00000
     12      19.5917      0.00000
     13      20.2917      0.00000
     14      23.1247      0.00000
     15      24.5961      0.00000
     16      25.2404      0.00000

 k-point    75 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.8684      2.00000
      2      -0.3791      2.00000
      3       2.4169      2.00000
      4       3.3226      2.00000
      5       7.9639      0.00000
      6       9.3339      0.00000
      7      12.2274      0.00000
      8      14.7158      0.00000
      9      15.5448      0.00000
     10      17.7607      0.00000
     11      18.7520      0.00000
     12      20.3517      0.00000
     13      21.0428      0.00000
     14      21.8491      0.00000
     15      23.5118      0.00000
     16      24.3259      0.00000

 k-point    76 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.3708      2.00000
      2      -0.9931      2.00000
      3       2.9167      2.00000
      4       3.0285      2.00000
      5       7.5521      0.00000
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      7      14.1458      0.00000
      8      15.8049      0.00000
      9      16.2889      0.00000
     10      18.0022      0.00000
     11      18.7332      0.00000
     12      20.2581      0.00000
     13      20.3146      0.00000
     14      21.7758      0.00000
     15      23.0772      0.00000
     16      24.6363      0.00000

 k-point    77 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.3929      2.00000
      2      -0.6201      2.00000
      3       3.3961      2.00000
      4       4.4632      2.00000
      5       8.8924      0.00000
      6       9.3588      0.00000
      7      11.0661      0.00000
      8      13.4260      0.00000
      9      15.1671      0.00000
     10      16.2935      0.00000
     11      17.6860      0.00000
     12      19.1357      0.00000
     13      20.2265      0.00000
     14      21.8237      0.00000
     15      24.2772      0.00000
     16      26.1191      0.00000

 k-point    78 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9081      2.00000
      2      -0.6778      2.00000
      3       2.3285      2.00000
      4       3.9594      2.00000
      5       8.7037      0.00000
      6      10.1611      0.00000
      7      12.6981      0.00000
      8      13.1266      0.00000
      9      13.5488      0.00000
     10      16.5627      0.00000
     11      18.6141      0.00000
     12      19.6551      0.00000
     13      22.1554      0.00000
     14      22.8411      0.00000
     15      23.8597      0.00000
     16      25.0698      0.00000

 k-point    79 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3557      2.00000
      2      -0.9072      2.00000
      3       1.8393      2.00000
      4       3.4644      2.00000
      5       8.1743      0.00000
      6      10.9286      0.00000
      7      11.9473      0.00000
      8      13.5570      0.00000
      9      14.6033      0.00000
     10      16.7389      0.00000
     11      19.7259      0.00000
     12      20.7820      0.00000
     13      22.2318      0.00000
     14      22.5948      0.00000
     15      23.7790      0.00000
     16      24.7388      0.00000

 k-point    80 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.8267      2.00000
      2      -1.4567      2.00000
      3       2.1889      2.00000
      4       3.1207      2.00000
      5       7.8215      0.00000
      6       9.1318      0.00000
      7      13.6778      0.00000
      8      13.9083      0.00000
      9      16.3131      0.00000
     10      16.9882      0.00000
     11      19.6917      0.00000
     12      20.5125      0.00000
     13      21.9361      0.00000
     14      22.6852      0.00000
     15      23.1770      0.00000
     16      23.6353      0.00000

 k-point    81 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.0362      2.00000
      2       0.4035      2.00000
      3       3.4666      2.00000
      4       4.7101      2.00000
      5       8.8786      0.00000
      6       9.6407      0.00000
      7      11.1311      0.00000
      8      11.9306      0.00000
      9      15.0845      0.00000
     10      16.2087      0.00000
     11      18.2835      0.00000
     12      18.4411      0.00000
     13      20.8232      0.00000
     14      21.7944      0.00000
     15      23.3079      0.00000
     16      24.3807      0.00000

 k-point    82 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.4320      2.00000
      2       0.0426      2.00000
      3       2.2914      2.00000
      4       4.2845      2.00000
      5       9.0878      0.00000
      6       9.9657      0.00000
      7      11.7587      0.00000
      8      12.5973      0.00000
      9      14.9837      0.00000
     10      15.2631      0.00000
     11      18.7712      0.00000
     12      20.8347      0.00000
     13      21.1078      0.00000
     14      21.6432      0.00000
     15      24.0411      0.00000
     16      24.5023      0.00000

 k-point    83 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.7415      2.00000
      2      -0.4981      2.00000
      3       1.7103      2.00000
      4       3.8111      2.00000
      5       8.5581      0.00000
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     10      15.3344      0.00000
     11      20.5338      0.00000
     12      21.1512      0.00000
     13      21.2405      0.00000
     14      23.2928      0.00000
     15      23.2939      0.00000
     16      24.1541      0.00000

 k-point    84 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7237      2.00000
      2       1.8086      2.00000
      3       3.7034      2.00000
      4       5.0760      2.00000
      5       8.8140      0.00000
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     10      16.4696      0.00000
     11      16.7329      0.00000
     12      18.7090      0.00000
     13      20.3630      0.00000
     14      21.8391      0.00000
     15      22.5382      0.00000
     16      24.7194      0.00000

 k-point    85 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1377      2.00000
      2       1.0722      2.00000
      3       2.6644      2.00000
      4       4.7190      2.00000
      5       9.5437      0.00000
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      7      10.8598      0.00000
      8      12.1435      0.00000
      9      13.9832      0.00000
     10      16.9778      0.00000
     11      18.6581      0.00000
     12      18.7828      0.00000
     13      20.0110      0.00000
     14      22.3767      0.00000
     15      22.8249      0.00000
     16      25.3427      0.00000

 k-point    86 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.2589      2.00000
      2       3.1911      2.00000
      3       4.2640      2.00000
      4       5.3966      2.00000
      5       8.4863      0.00000
      6      10.0024      0.00000
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      8      11.0703      0.00000
      9      13.4472      0.00000
     10      14.8141      0.00000
     11      16.6833      0.00000
     12      17.7888      0.00000
     13      19.0216      0.00000
     14      21.0382      0.00000
     15      23.8103      0.00000
     16      25.6188      0.00000

 k-point    87 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4006      2.00000
      2       4.0132      2.00000
      3       4.7853      2.00000
      4       4.7853      2.00000
      5       7.7258      0.00000
      6      10.4800      0.00000
      7      10.9209      0.00000
      8      10.9209      0.00000
      9      13.4331      0.00000
     10      14.4963      0.00000
     11      16.5395      0.00000
     12      18.5220      0.00000
     13      18.5220      0.00000
     14      19.2172      0.00000
     15      25.7310      0.00000
     16      25.8256      0.00000

 k-point    88 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9950      2.00000
      2       2.7658      2.00000
      3       4.4169      2.00000
      4       4.4237      2.00000
      5       7.7700      0.00000
      6       9.9678      0.00000
      7      11.2468      0.00000
      8      11.4925      0.00000
      9      14.7024      0.00000
     10      14.8825      0.00000
     11      17.2613      0.00000
     12      18.5938      0.00000
     13      19.4775      0.00000
     14      20.8421      0.00000
     15      23.6724      0.00000
     16      24.2219      0.00000

 k-point    89 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.3984      2.00000
      2       1.3077      2.00000
      3       3.9174      2.00000
      4       4.2148      2.00000
      5       8.0200      0.00000
      6      10.2647      0.00000
      7      11.0828      0.00000
      8      11.5022      0.00000
      9      15.8373      0.00000
     10      16.4104      0.00000
     11      16.9707      0.00000
     12      19.8782      0.00000
     13      19.9351      0.00000
     14      21.7195      0.00000
     15      22.4729      0.00000
     16      23.8774      0.00000

 k-point    90 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6873      2.00000
      2       0.0073      2.00000
      3       3.4479      2.00000
      4       4.1774      2.00000
      5       8.0583      0.00000
      6      10.8513      0.00000
      7      11.2014      0.00000
      8      11.4830      0.00000
      9      16.3271      0.00000
     10      17.2576      0.00000
     11      18.1793      0.00000
     12      18.3070      0.00000
     13      19.4018      0.00000
     14      22.7047      0.00000
     15      24.1635      0.00000
     16      24.5261      0.00000

 k-point    91 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.1873      2.00000
      2      -0.7296      2.00000
      3       3.1053      2.00000
      4       4.3108      2.00000
      5       8.1580      0.00000
      6      10.7253      0.00000
      7      10.8980      0.00000
      8      13.1265      0.00000
      9      15.5571      0.00000
     10      15.9060      0.00000
     11      18.0441      0.00000
     12      19.3458      0.00000
     13      20.3200      0.00000
     14      22.2106      0.00000
     15      25.5358      0.00000
     16      25.7653      0.00000

 k-point    92 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.5075      2.00000
      2      -0.2752      2.00000
      3       2.9373      2.00000
      4       4.5991      2.00000
      5       8.4270      0.00000
      6      10.6888      0.00000
      7      10.7036      0.00000
      8      14.0906      0.00000
      9      14.1975      0.00000
     10      14.9668      0.00000
     11      17.8779      0.00000
     12      20.2756      0.00000
     13      21.4187      0.00000
     14      21.8684      0.00000
     15      23.2673      0.00000
     16      25.4440      0.00000

 k-point    93 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2141      2.00000
      2       0.8991      2.00000
      3       3.0011      2.00000
      4       5.0046      2.00000
      5       8.8333      0.00000
      6      10.4903      0.00000
      7      10.7377      0.00000
      8      12.7337      0.00000
      9      12.7988      0.00000
     10      16.5428      0.00000
     11      18.3501      0.00000
     12      18.5310      0.00000
     13      20.4802      0.00000
     14      22.5971      0.00000
     15      23.2870      0.00000
     16      24.5031      0.00000

 k-point    94 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.8526      2.00000
      2       2.1306      2.00000
      3       3.4832      2.00000
      4       5.4432      2.00000
      5       9.2230      0.00000
      6      10.0246      0.00000
      7      10.4203      0.00000
      8      12.0969      0.00000
      9      12.2301      0.00000
     10      16.3930      0.00000
     11      17.1616      0.00000
     12      18.2374      0.00000
     13      20.1854      0.00000
     14      21.4722      0.00000
     15      22.8967      0.00000
     16      25.4248      0.00000

 k-point    95 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.1668      2.00000
      2       1.1051      2.00000
      3       2.7625      2.00000
      4       4.6024      2.00000
      5       9.4653      0.00000
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      7      10.9242      0.00000
      8      12.1448      0.00000
      9      13.9192      0.00000
     10      16.8586      0.00000
     11      18.4613      0.00000
     12      19.0676      0.00000
     13      19.9946      0.00000
     14      22.4102      0.00000
     15      22.8837      0.00000
     16      25.4529      0.00000

 k-point    96 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.4613      2.00000
      2       0.0866      2.00000
      3       2.3795      2.00000
      4       4.1667      2.00000
      5       8.9819      0.00000
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     10      15.0942      0.00000
     11      18.9628      0.00000
     12      20.5901      0.00000
     13      21.2804      0.00000
     14      21.8025      0.00000
     15      24.2675      0.00000
     16      24.5988      0.00000

 k-point    97 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.2488      2.00000
      2       0.0854      2.00000
      3       2.3298      2.00000
      4       3.4658      2.00000
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     10      15.9956      0.00000
     11      20.1778      0.00000
     12      20.5284      0.00000
     13      20.8334      0.00000
     14      21.2023      0.00000
     15      23.4902      0.00000
     16      24.5628      0.00000

 k-point    98 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -2.9120      2.00000
      2      -0.6555      2.00000
      3       2.3921      2.00000
      4       3.8677      2.00000
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     10      16.4605      0.00000
     11      18.7444      0.00000
     12      19.6980      0.00000
     13      22.4614      0.00000
     14      22.5694      0.00000
     15      24.1389      0.00000
     16      25.0012      0.00000

 k-point    99 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.5740      2.00000
      2      -0.6414      2.00000
      3       2.0147      2.00000
      4       3.1440      2.00000
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     10      17.1627      0.00000
     11      19.2493      0.00000
     12      20.5985      0.00000
     13      22.2146      0.00000
     14      22.8924      0.00000
     15      23.5953      0.00000
     16      25.3775      0.00000

 k-point   100 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.1604      2.00000
      2      -1.0089      2.00000
      3       2.2579      2.00000
      4       2.6236      2.00000
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      9      16.2100      0.00000
     10      17.6765      0.00000
     11      19.1420      0.00000
     12      20.5106      0.00000
     13      22.1666      0.00000
     14      22.8643      0.00000
     15      23.4537      0.00000
     16      24.7948      0.00000

 k-point   101 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.1747      2.00000
      2      -0.3019      2.00000
      3       2.6036      2.00000
      4       3.7981      2.00000
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     10      17.2088      0.00000
     11      18.2326      0.00000
     12      19.5647      0.00000
     13      20.5531      0.00000
     14      22.9466      0.00000
     15      24.3949      0.00000
     16      25.1687      0.00000

 k-point   102 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.5459      2.00000
      2      -0.6565      2.00000
      3       1.9697      2.00000
      4       3.1773      2.00000
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     10      17.2551      0.00000
     11      19.1112      0.00000
     12      20.5600      0.00000
     13      22.0746      0.00000
     14      23.1121      0.00000
     15      23.6001      0.00000
     16      25.1009      0.00000

 k-point   103 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -1.9222      2.00000
      2      -1.1838      2.00000
      3       1.9152      2.00000
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     10      17.3590      0.00000
     11      19.3913      0.00000
     12      20.6156      0.00000
     13      22.1479      0.00000
     14      23.3259      0.00000
     15      24.7110      0.00000
     16      24.8198      0.00000

 k-point   104 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.8779      2.00000
      2       0.7682      2.00000
      3       2.9489      2.00000
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     10      17.2139      0.00000
     11      18.5486      0.00000
     12      18.9255      0.00000
     13      20.7150      0.00000
     14      21.3320      0.00000
     15      22.9290      0.00000
     16      24.8089      0.00000

 k-point   105 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.2046      2.00000
      2       0.0790      2.00000
      3       2.2315      2.00000
      4       3.5276      2.00000
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     10      16.0562      0.00000
     11      19.9418      0.00000
     12      20.6817      0.00000
     13      20.7509      0.00000
     14      21.1953      0.00000
     15      23.3899      0.00000
     16      24.7146      0.00000

 k-point   106 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.5238      2.00000
      2       1.9113      2.00000
      3       3.5099      2.00000
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     10      16.5604      0.00000
     11      18.0076      0.00000
     12      18.8333      0.00000
     13      20.3434      0.00000
     14      21.8006      0.00000
     15      21.9068      0.00000
     16      24.2056      0.00000

 k-point   107 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.6554      2.00000
      2       2.3657      2.00000
      3       4.0270      2.00000
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      5       7.0915      0.00000
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     10      15.3320      0.00000
     11      18.5120      0.00000
     12      19.6547      0.00000
     13      19.6547      0.00000
     14      20.4461      0.00000
     15      23.5994      0.00000
     16      23.5994      0.00000

 k-point   108 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.1168      2.00000
      2       1.3576      2.00000
      3       3.4973      2.00000
      4       3.7827      2.00000
      5       7.2208      0.00000
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      8      12.9570      0.00000
      9      16.1765      0.00000
     10      16.7273      0.00000
     11      18.6412      0.00000
     12      19.8151      0.00000
     13      20.3388      0.00000
     14      21.3465      0.00000
     15      22.3470      0.00000
     16      23.3487      0.00000

 k-point   109 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.4269      2.00000
      2       0.2559      2.00000
      3       2.7856      2.00000
      4       3.7155      2.00000
      5       7.4247      0.00000
      6       9.3879      0.00000
      7      12.7459      0.00000
      8      12.7579      0.00000
      9      17.5931      0.00000
     10      17.6523      0.00000
     11      18.1422      0.00000
     12      18.6608      0.00000
     13      20.2330      0.00000
     14      22.2910      0.00000
     15      23.2564      0.00000
     16      25.0147      0.00000

 k-point   110 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.7885      2.00000
      2      -0.5969      2.00000
      3       2.2184      2.00000
      4       3.8294      2.00000
      5       7.5576      0.00000
      6      10.8675      0.00000
      7      12.4113      0.00000
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      9      15.9400      0.00000
     10      16.0422      0.00000
     11      19.6878      0.00000
     12      19.6973      0.00000
     13      20.5933      0.00000
     14      24.2461      0.00000
     15      24.2768      0.00000
     16      24.8269      0.00000

 k-point   111 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8734      2.00000
      2      -0.4941      2.00000
      3       1.9284      2.00000
      4       4.1127      2.00000
      5       7.8569      0.00000
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     10      14.3200      0.00000
     11      19.6884      0.00000
     12      21.7774      0.00000
     13      22.0304      0.00000
     14      22.6968      0.00000
     15      23.1756      0.00000
     16      24.5421      0.00000

 k-point   112 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5481      2.00000
      2       0.3015      2.00000
      3       2.0952      2.00000
      4       4.5318      2.00000
      5       8.3301      0.00000
      6      11.5148      0.00000
      7      11.9271      0.00000
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     10      14.9939      0.00000
     11      19.7334      0.00000
     12      20.3257      0.00000
     13      20.7392      0.00000
     14      23.4030      0.00000
     15      23.8997      0.00000
     16      24.1415      0.00000

 k-point   113 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.7635      2.00000
      2      -0.4375      2.00000
      3       1.7804      2.00000
      4       3.6859      2.00000
      5       8.4519      0.00000
      6      11.3662      0.00000
      7      12.1424      0.00000
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      9      14.0843      0.00000
     10      15.1842      0.00000
     11      20.8551      0.00000
     12      21.2923      0.00000
     13      21.3295      0.00000
     14      23.0665      0.00000
     15      23.3281      0.00000
     16      24.4511      0.00000

 k-point   114 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.3345      2.00000
      2      -0.8595      2.00000
      3       1.8659      2.00000
      4       3.3530      2.00000
      5       8.0649      0.00000
      6      10.7717      0.00000
      7      12.0566      0.00000
      8      13.7185      0.00000
      9      14.5310      0.00000
     10      16.5932      0.00000
     11      19.7604      0.00000
     12      20.9301      0.00000
     13      22.3088      0.00000
     14      22.7820      0.00000
     15      23.9535      0.00000
     16      24.9722      0.00000

 k-point   115 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -1.9246      2.00000
      2      -1.1491      2.00000
      3       1.9353      2.00000
      4       2.6263      2.00000
      5       9.4465      0.00000
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      8      11.7142      0.00000
      9      16.1944      0.00000
     10      17.2521      0.00000
     11      19.4156      0.00000
     12      20.6136      0.00000
     13      22.3234      0.00000
     14      23.2666      0.00000
     15      24.8782      0.00000
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 k-point   116 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.8121      2.00000
      2      -0.3339      2.00000
      3       2.3744      2.00000
      4       3.2450      2.00000
      5       7.8463      0.00000
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     10      17.7408      0.00000
     11      18.5845      0.00000
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     13      21.1145      0.00000
     14      21.7155      0.00000
     15      23.7218      0.00000
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 k-point   117 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.1107      2.00000
      2      -0.9771      2.00000
      3       2.1826      2.00000
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      5       9.0934      0.00000
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     10      17.6688      0.00000
     11      18.9991      0.00000
     12      20.3875      0.00000
     13      22.1957      0.00000
     14      23.1036      0.00000
     15      23.6724      0.00000
     16      24.9030      0.00000

 k-point   118 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.5234      2.00000
      2       0.5350      2.00000
      3       3.0089      2.00000
      4       3.4448      2.00000
      5       7.4958      0.00000
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     10      17.7874      0.00000
     11      18.5068      0.00000
     12      19.7327      0.00000
     13      20.7509      0.00000
     14      21.3126      0.00000
     15      22.7900      0.00000
     16      23.4471      0.00000

 k-point   119 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.6357      2.00000
      2       0.7010      2.00000
      3       3.4949      2.00000
      4       3.4949      2.00000
      5       6.7047      0.00000
      6       7.7698      0.00000
      7      14.2365      0.00000
      8      14.2365      0.00000
      9      16.4982      0.00000
     10      17.2469      0.00000
     11      19.6846      0.00000
     12      19.6846      0.00000
     13      20.2400      0.00000
     14      21.9172      0.00000
     15      22.1927      0.00000
     16      23.2450      0.00000

 k-point   120 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.9837      2.00000
      2      -0.1517      2.00000
      3       2.9491      2.00000
      4       3.3834      2.00000
      5       6.9149      0.00000
      6       7.7648      0.00000
      7      14.5171      0.00000
      8      14.6137      0.00000
      9      17.7711      0.00000
     10      18.1475      0.00000
     11      18.2099      0.00000
     12      18.7657      0.00000
     13      21.3007      0.00000
     14      21.5634      0.00000
     15      22.2985      0.00000
     16      24.4338      0.00000

 k-point   121 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.2810      2.00000
      2      -0.9104      2.00000
      3       2.1617      2.00000
      4       3.4571      2.00000
      5       7.0869      0.00000
      6       8.9630      0.00000
      7      14.2038      0.00000
      8      14.5082      0.00000
      9      16.1436      0.00000
     10      16.2960      0.00000
     11      19.7615      0.00000
     12      20.5361      0.00000
     13      21.8881      0.00000
     14      21.9607      0.00000
     15      22.7035      0.00000
     16      24.9051      0.00000

 k-point   122 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.2339      2.00000
      2      -0.9475      2.00000
      3       1.6861      2.00000
      4       3.7091      2.00000
      5       7.3743      0.00000
      6      10.7060      0.00000
      7      13.5503      0.00000
      8      14.2003      0.00000
      9      14.5146      0.00000
     10      14.5157      0.00000
     11      21.5772      0.00000
     12      21.6758      0.00000
     13      22.3036      0.00000
     14      22.3362      0.00000
     15      22.4155      0.00000
     16      24.1777      0.00000

 k-point   123 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.7754      2.00000
      2      -1.3791      2.00000
      3       2.1459      2.00000
      4       3.0110      2.00000
      5       7.7021      0.00000
      6       8.9733      0.00000
      7      13.8394      0.00000
      8      14.0676      0.00000
      9      16.2231      0.00000
     10      16.8115      0.00000
     11      19.6090      0.00000
     12      20.3656      0.00000
     13      22.2248      0.00000
     14      22.9222      0.00000
     15      23.4416      0.00000
     16      23.7737      0.00000

 k-point   124 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.2958      2.00000
      2      -0.9075      2.00000
      3       2.8083      2.00000
      4       2.9418      2.00000
      5       7.4130      0.00000
      6       7.6916      0.00000
      7      14.2995      0.00000
      8      15.8555      0.00000
      9      16.2897      0.00000
     10      17.8899      0.00000
     11      18.5413      0.00000
     12      20.1468      0.00000
     13      20.4728      0.00000
     14      22.0494      0.00000
     15      23.2200      0.00000
     16      24.7459      0.00000

 k-point   125 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.3700      2.00000
      2      -0.9033      2.00000
      3       3.2230      2.00000
      4       3.2230      2.00000
      5       6.6524      0.00000
      6       6.9923      0.00000
      7      15.9994      0.00000
      8      15.9994      0.00000
      9      17.9890      0.00000
     10      18.0157      0.00000
     11      18.0157      0.00000
     12      19.0542      0.00000
     13      19.7990      0.00000
     14      20.3782      0.00000
     15      24.4403      0.00000
     16      25.3366      0.00000

 k-point   126 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.6953      2.00000
      2      -1.5790      2.00000
      3       2.7702      2.00000
      4       3.2483      2.00000
      5       6.8390      0.00000
      6       7.4370      0.00000
      7      15.9278      0.00000
      8      16.2607      0.00000
      9      16.6122      0.00000
     10      16.6477      0.00000
     11      19.5603      0.00000
     12      19.6350      0.00000
     13      20.1895      0.00000
     14      20.6857      0.00000
     15      24.6262      0.00000
     16      24.9009      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.370  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.174  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.174  -0.000   0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.174   0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.487  -0.842  -0.000   0.000  -0.000   0.000   0.000   0.000
 -0.842   0.863   0.000   0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   1.057   0.000   0.000  -0.604   0.000  -0.000
  0.000   0.000   0.000   1.057  -0.000   0.000  -0.604   0.000
 -0.000  -0.000   0.000  -0.000   1.057  -0.000   0.000  -0.595
  0.000   0.000  -0.604   0.000  -0.000   0.406   0.000   0.000
 -0.000   0.000   0.000  -0.604   0.000   0.000   0.406  -0.000
  0.000   0.000  -0.000   0.000  -0.595   0.000  -0.000   0.396


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0200: real time    0.0206
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0090: real time    0.0089
    STRESS:  cpu time    0.1320: real time    0.1312
    FORCOR:  cpu time    0.0040: real time    0.0039
    FORHAR:  cpu time    0.0000: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.49322     3.49322     3.49322
  Ewald     -78.22213   -76.61811   -76.61811    -0.00000     0.00000     0.00000
  Hartree     4.64579     4.91107     4.91107     0.00000     0.00000     0.00000
  E(xc)     -25.59246   -25.59635   -25.59635    -0.00000    -0.00000    -0.00000
  Local     -27.41165   -29.37501   -29.37501     0.00001     0.00001     0.00001
  n-local    78.45002    76.74773    80.66112    -0.80699     0.30357     2.03416
  augment   -11.67146   -11.67223   -11.67223    -0.00001    -0.00001    -0.00001
  Kinetic    57.95391    57.29854    57.61245    -0.20808     0.73224     2.54432
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.64524     1.30250     1.30250    -0.00000     0.00000     0.00000
  in kB      68.38346    54.13778    54.13778    -0.00000     0.00000     0.00000
  external pressure =       58.89 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       38.55
      direct lattice vectors                 reciprocal lattice vectors
     2.654259800  2.694680000  0.000000000     0.188376435  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.188376435  0.185550789  0.185550789
     2.654259800  0.000000000  2.694680000     0.188376435 -0.185550789  0.185550789

  length of vectors
     3.782379593  3.810853002  3.782379593     0.323023021  0.323023021  0.323023021


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.984E-07 0.135E-06 0.112E-06   -.224E-14 0.112E-14 -.262E-14   -.153E-16 0.101E-16 0.110E-16   -.113E-07 -.263E-08 -.263E-08
   -.984E-07 -.135E-06 -.112E-06   0.203E-14 -.758E-15 0.279E-14   0.217E-16 -.216E-16 -.215E-16   0.113E-07 0.263E-08 0.263E-08
 -----------------------------------------------------------------------------------------------
   0.388E-14 0.341E-13 -.420E-13   -.203E-15 0.364E-15 0.163E-15   0.641E-17 -.115E-16 -.105E-16   0.490E-15 0.197E-14 0.337E-15
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      1.32713      1.34734      1.34734        -0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.80466004 eV

  energy  without entropy=      -10.80466004  energy(sigma->0) =      -10.80466004
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.3103379E-01 0.310E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.2303460E+01-0.230E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0054


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   1/  7
  Displacement:        2/  2
  Total:               2/ 14
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     3.8108530023
 C/A-ratio  =     1.4354267658
  
  Lattice vectors:
  
 A1 = (   0.0000000000,  -2.7351002000,  -2.6946800000)
 A2 = (   0.0000000000,  -2.7351002000,   2.6946800000)
 A3 = (  -2.6946800000,   2.7351002000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000    90.000000    -0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
    6     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
    8     1.000000   180.000000     0.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000
    9    -1.000000     0.000000     1.000000     0.000000     0.000000    -0.750000     0.250000     0.250000
   10     1.000000    90.000000    -0.000000     1.000000     0.000000    -0.750000     0.250000     0.250000
   11    -1.000000   180.000000     0.000000    -1.000000    -0.000000    -0.750000     0.250000     0.250000
   12     1.000000    90.000000    -0.000000    -1.000000     0.000000    -0.750000     0.250000     0.250000
   13     1.000000   180.000000     0.707107     0.000000     0.707107    -0.750000     0.250000     0.250000
   14    -1.000000   180.000000     1.000000     0.000000     0.000000    -0.750000     0.250000     0.250000
   15     1.000000   180.000000     0.707107     0.000000    -0.707107    -0.750000     0.250000     0.250000
   16    -1.000000   180.000000     0.000000    -0.000000    -1.000000    -0.750000     0.250000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    126 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      8.000000
  0.181818 -0.000000 -0.000000      8.000000
  0.272727 -0.000000 -0.000000      8.000000
  0.363636 -0.000000 -0.000000      8.000000
  0.454545  0.000000  0.000000      8.000000
  0.090909  0.090909  0.000000      2.000000
  0.181818  0.090909  0.000000      8.000000
  0.272727  0.090909  0.000000      8.000000
  0.363636  0.090909 -0.000000      8.000000
  0.454545  0.090909  0.000000      8.000000
 -0.454545  0.090909  0.000000      8.000000
 -0.363636  0.090909  0.000000      8.000000
 -0.272727  0.090909  0.000000      8.000000
 -0.181818  0.090909  0.000000      8.000000
 -0.090909  0.090909  0.000000      4.000000
  0.181818  0.181818  0.000000      2.000000
  0.272727  0.181818  0.000000      8.000000
  0.363636  0.181818  0.000000      8.000000
  0.454545  0.181818  0.000000      8.000000
 -0.454545  0.181818 -0.000000      8.000000
 -0.363636  0.181818  0.000000      8.000000
 -0.272727  0.181818  0.000000      8.000000
 -0.181818  0.181818  0.000000      4.000000
  0.272727  0.272727  0.000000      2.000000
  0.363636  0.272727  0.000000      8.000000
  0.454545  0.272727  0.000000      8.000000
 -0.454545  0.272727  0.000000      8.000000
 -0.363636  0.272727  0.000000      8.000000
 -0.272727  0.272727  0.000000      4.000000
  0.363636  0.363636  0.000000      2.000000
  0.454545  0.363636  0.000000      8.000000
 -0.454545  0.363636  0.000000      8.000000
 -0.363636  0.363636  0.000000      4.000000
  0.454545  0.454545  0.000000      2.000000
 -0.454545  0.454545  0.000000      4.000000
  0.090909 -0.000000  0.090909      4.000000
  0.181818  0.000000  0.090909     16.000000
  0.272727 -0.000000  0.090909     16.000000
  0.363636  0.000000  0.090909     16.000000
  0.454545 -0.000000  0.090909     16.000000
 -0.454545 -0.000000  0.090909     16.000000
 -0.363636  0.000000  0.090909     16.000000
 -0.272727  0.000000  0.090909     16.000000
 -0.181818  0.000000  0.090909     16.000000
 -0.090909  0.000000  0.090909      8.000000
  0.272727  0.181818  0.090909      8.000000
  0.363636  0.181818  0.090909     16.000000
  0.454545  0.181818  0.090909     16.000000
 -0.454545  0.181818  0.090909     16.000000
 -0.363636  0.181818  0.090909     16.000000
 -0.272727  0.181818  0.090909     16.000000
 -0.181818  0.181818  0.090909     16.000000
 -0.090909  0.181818  0.090909      8.000000
  0.363636  0.272727  0.090909      8.000000
  0.454545  0.272727  0.090909     16.000000
 -0.454545  0.272727  0.090909     16.000000
 -0.363636  0.272727  0.090909     16.000000
 -0.272727  0.272727  0.090909     16.000000
 -0.181818  0.272727  0.090909      8.000000
  0.454545  0.363636  0.090909      8.000000
 -0.454545  0.363636  0.090909     16.000000
 -0.363636  0.363636  0.090909     16.000000
 -0.272727  0.363636  0.090909      8.000000
 -0.454545  0.454545  0.090909      8.000000
 -0.363636  0.454545  0.090909      8.000000
  0.181818 -0.000000  0.181818      4.000000
  0.272727 -0.000000  0.181818     16.000000
  0.363636  0.000000  0.181818     16.000000
  0.454545  0.000000  0.181818     16.000000
 -0.454545 -0.000000  0.181818     16.000000
 -0.363636  0.000000  0.181818     16.000000
 -0.272727 -0.000000  0.181818     16.000000
 -0.181818  0.000000  0.181818      8.000000
  0.272727  0.090909  0.181818      8.000000
  0.363636  0.090909  0.181818     16.000000
  0.454545  0.090909  0.181818     16.000000
 -0.454545  0.090909  0.181818     16.000000
  0.454545  0.272727  0.181818      8.000000
 -0.454545  0.272727  0.181818     16.000000
 -0.363636  0.272727  0.181818     16.000000
 -0.272727  0.272727  0.181818     16.000000
 -0.181818  0.272727  0.181818     16.000000
 -0.090909  0.272727  0.181818      8.000000
 -0.454545  0.363636  0.181818      8.000000
 -0.363636  0.363636  0.181818     16.000000
 -0.272727  0.363636  0.181818     16.000000
 -0.181818  0.363636  0.181818      8.000000
 -0.363636  0.454545  0.181818      8.000000
 -0.272727  0.454545  0.181818      8.000000
  0.272727  0.000000  0.272727      4.000000
  0.363636  0.000000  0.272727     16.000000
  0.454545  0.000000  0.272727     16.000000
 -0.454545  0.000000  0.272727     16.000000
 -0.363636  0.000000  0.272727     16.000000
 -0.272727  0.000000  0.272727      8.000000
  0.363636  0.090909  0.272727      8.000000
  0.454545  0.090909  0.272727     16.000000
 -0.454545  0.090909  0.272727     16.000000
 -0.363636  0.090909  0.272727     16.000000
 -0.272727  0.090909  0.272727     16.000000
 -0.181818  0.090909  0.272727      8.000000
 -0.363636  0.363636  0.272727      8.000000
 -0.272727  0.363636  0.272727     16.000000
 -0.181818  0.363636  0.272727     16.000000
 -0.090909  0.363636  0.272727      8.000000
 -0.272727  0.454545  0.272727      8.000000
 -0.181818  0.454545  0.272727      8.000000
  0.363636 -0.000000  0.363636      4.000000
  0.454545  0.000000  0.363636     16.000000
 -0.454545 -0.000000  0.363636     16.000000
 -0.363636  0.000000  0.363636      8.000000
  0.454545  0.090909  0.363636      8.000000
 -0.454545  0.090909  0.363636     16.000000
 -0.363636  0.090909  0.363636     16.000000
 -0.272727  0.090909  0.363636      8.000000
 -0.454545  0.181818  0.363636      8.000000
 -0.363636  0.181818  0.363636     16.000000
 -0.181818  0.454545  0.363636      8.000000
 -0.090909  0.454545  0.363636      8.000000
  0.454545  0.000000  0.454545      4.000000
 -0.454545  0.000000  0.454545      8.000000
 -0.454545  0.090909  0.454545      8.000000
 -0.363636  0.090909  0.454545      8.000000
 -0.363636  0.181818  0.454545      8.000000
 -0.272727  0.181818  0.454545      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016868  0.016619 -0.016868      8.000000
  0.033737  0.033238 -0.033737      8.000000
  0.050605  0.049857 -0.050605      8.000000
  0.067473  0.066476 -0.067473      8.000000
  0.084341  0.083095 -0.084341      8.000000
  0.000000  0.033238  0.000000      2.000000
  0.016868  0.049857 -0.016868      8.000000
  0.033737  0.066476 -0.033737      8.000000
  0.050605  0.083095 -0.050605      8.000000
  0.067473  0.099714 -0.067473      8.000000
 -0.101210 -0.066476  0.101210      8.000000
 -0.084341 -0.049857  0.084341      8.000000
 -0.067473 -0.033238  0.067473      8.000000
 -0.050605 -0.016619  0.050605      8.000000
 -0.033737  0.000000  0.033737      4.000000
  0.000000  0.066476  0.000000      2.000000
  0.016868  0.083095 -0.016868      8.000000
  0.033737  0.099714 -0.033737      8.000000
  0.050605  0.116333 -0.050605      8.000000
 -0.118078 -0.049857  0.118078      8.000000
 -0.101210 -0.033238  0.101210      8.000000
 -0.084341 -0.016619  0.084341      8.000000
 -0.067473  0.000000  0.067473      4.000000
  0.000000  0.099714  0.000000      2.000000
  0.016868  0.116333 -0.016868      8.000000
  0.033737  0.132952 -0.033737      8.000000
 -0.134946 -0.033238  0.134946      8.000000
 -0.118078 -0.016619  0.118078      8.000000
 -0.101210  0.000000  0.101210      4.000000
  0.000000  0.132952  0.000000      2.000000
  0.016868  0.149571 -0.016868      8.000000
 -0.151814 -0.016619  0.151814      8.000000
 -0.134946  0.000000  0.134946      4.000000
  0.000000  0.166190  0.000000      2.000000
 -0.168683  0.000000  0.168683      4.000000
  0.033737  0.000000  0.000000      4.000000
  0.050605  0.016619 -0.016868     16.000000
  0.067473  0.033238 -0.033737     16.000000
  0.084341  0.049857 -0.050605     16.000000
  0.101210  0.066476 -0.067473     16.000000
 -0.067473 -0.099714  0.101210     16.000000
 -0.050605 -0.083095  0.084341     16.000000
 -0.033737 -0.066476  0.067473     16.000000
 -0.016868 -0.049857  0.050605     16.000000
  0.000000 -0.033238  0.033737      8.000000
  0.033737  0.066476  0.000000      8.000000
  0.050605  0.083095 -0.016868     16.000000
  0.067473  0.099714 -0.033737     16.000000
 -0.101210 -0.066476  0.134946     16.000000
 -0.084341 -0.049857  0.118078     16.000000
 -0.067473 -0.033238  0.101210     16.000000
 -0.050605 -0.016619  0.084341     16.000000
 -0.033737  0.000000  0.067473      8.000000
  0.033737  0.099714  0.000000      8.000000
  0.050605  0.116333 -0.016868     16.000000
 -0.118078 -0.049857  0.151814     16.000000
 -0.101210 -0.033238  0.134946     16.000000
 -0.084341 -0.016619  0.118078     16.000000
 -0.067473  0.000000  0.101210      8.000000
  0.033737  0.132952  0.000000      8.000000
 -0.134946 -0.033238  0.168683     16.000000
 -0.118078 -0.016619  0.151814     16.000000
 -0.101210  0.000000  0.134946      8.000000
 -0.151814 -0.016619  0.185551      8.000000
 -0.134946  0.000000  0.168683      8.000000
  0.067473  0.000000  0.000000      4.000000
  0.084341  0.016619 -0.016868     16.000000
  0.101210  0.033238 -0.033737     16.000000
  0.118078  0.049857 -0.050605     16.000000
 -0.050605 -0.116333  0.118078     16.000000
 -0.033737 -0.099714  0.101210     16.000000
 -0.016868 -0.083095  0.084341     16.000000
  0.000000 -0.066476  0.067473      8.000000
  0.067473  0.033238  0.000000      8.000000
  0.084341  0.049857 -0.016868     16.000000
  0.101210  0.066476 -0.033737     16.000000
 -0.067473 -0.099714  0.134946     16.000000
  0.067473  0.099714  0.000000      8.000000
 -0.101210 -0.066476  0.168683     16.000000
 -0.084341 -0.049857  0.151814     16.000000
 -0.067473 -0.033238  0.134946     16.000000
 -0.050605 -0.016619  0.118078     16.000000
 -0.033737  0.000000  0.101210      8.000000
 -0.118078 -0.049857  0.185551      8.000000
 -0.101210 -0.033238  0.168683     16.000000
 -0.084341 -0.016619  0.151814     16.000000
 -0.067473  0.000000  0.134946      8.000000
 -0.118078 -0.016619  0.185551      8.000000
 -0.101210  0.000000  0.168683      8.000000
  0.101210 -0.000000  0.000000      4.000000
  0.118078  0.016619 -0.016868     16.000000
  0.134946  0.033238 -0.033737     16.000000
 -0.033737 -0.132952  0.134946     16.000000
 -0.016868 -0.116333  0.118078     16.000000
  0.000000 -0.099714  0.101210      8.000000
  0.101210  0.033238  0.000000      8.000000
  0.118078  0.049857 -0.016868     16.000000
 -0.050605 -0.116333  0.151814     16.000000
 -0.033737 -0.099714  0.134946     16.000000
 -0.016868 -0.083095  0.118078     16.000000
  0.000000 -0.066476  0.101210      8.000000
 -0.084341 -0.049857  0.185551      8.000000
 -0.067473 -0.033238  0.168683     16.000000
 -0.050605 -0.016619  0.151814     16.000000
 -0.033737  0.000000  0.134946      8.000000
 -0.084341 -0.016619  0.185551      8.000000
 -0.067473  0.000000  0.168683      8.000000
  0.134946  0.000000  0.000000      4.000000
  0.151814  0.016619 -0.016868     16.000000
 -0.016868 -0.149571  0.151814     16.000000
  0.000000 -0.132952  0.134946      8.000000
  0.134946  0.033238  0.000000      8.000000
 -0.033737 -0.132952  0.168683     16.000000
 -0.016868 -0.116333  0.151814     16.000000
  0.000000 -0.099714  0.134946      8.000000
 -0.050605 -0.116333  0.185551      8.000000
 -0.033737 -0.099714  0.168683     16.000000
 -0.050605 -0.016619  0.185551      8.000000
 -0.033737  0.000000  0.168683      8.000000
  0.168683  0.000000  0.000000      4.000000
 -0.000000 -0.166190  0.168683      8.000000
 -0.016868 -0.149571  0.185551      8.000000
  0.000000 -0.132952  0.168683      8.000000
 -0.016868 -0.116333  0.185551      8.000000
 -0.000000 -0.099714  0.168683      8.000000
 
    WAVPRE:  cpu time    0.0750: real time    0.0797
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0200: real time    0.0203
    ORTHCH:  cpu time    0.1130: real time    0.1132
     LOOP+:  cpu time    3.5615: real time    3.5722


--------------------------------------- Iteration      4(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0070: real time    0.0081
    SETDIJ:  cpu time    0.0010: real time    0.0015
    EDDIAG:  cpu time    0.2090: real time    0.2096
  RMM-DIIS:  cpu time    0.1580: real time    0.1578
    ORTHCH:  cpu time    0.1100: real time    0.1096
       DOS:  cpu time    0.0010: real time    0.0013
    CHARGE:  cpu time    0.0210: real time    0.0213
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5069: real time    0.5093

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.3579216E-01  (-0.1208220E-01)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4616886 magnetization 

 Broyden mixing:
  rms(total) = 0.28190E-01    rms(broyden)= 0.28187E-01
  rms(prec ) = 0.10217E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.32386854
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.93527198
  PAW double counting   =        75.62673941      -40.69970090
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.12520260
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84045276 eV

  energy without entropy =      -10.84045276  energy(sigma->0) =      -10.84045276


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2053
  RMM-DIIS:  cpu time    0.1560: real time    0.1559
    ORTHCH:  cpu time    0.1100: real time    0.1095
       DOS:  cpu time    0.0010: real time    0.0013
    CHARGE:  cpu time    0.0210: real time    0.0212
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.4989: real time    0.4989

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3147864E-02  (-0.6896274E-04)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4608042 magnetization 

 Broyden mixing:
  rms(total) = 0.16450E-01    rms(broyden)= 0.16450E-01
  rms(prec ) = 0.59146E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3303
  2.3303

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.54013361
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92831830
  PAW double counting   =        75.31463019      -40.37989671
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.32996688
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83730489 eV

  energy without entropy =      -10.83730489  energy(sigma->0) =      -10.83730489


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2050
  RMM-DIIS:  cpu time    0.1540: real time    0.1543
    ORTHCH:  cpu time    0.1100: real time    0.1095
       DOS:  cpu time    0.0010: real time    0.0013
    CHARGE:  cpu time    0.0210: real time    0.0212
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.4969: real time    0.4971

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.1608605E-02  (-0.1321286E-03)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4591278 magnetization 

 Broyden mixing:
  rms(total) = 0.21925E-02    rms(broyden)= 0.21923E-02
  rms(prec ) = 0.50457E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1181
  2.1181  2.1181

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82832142
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92242650
  PAW double counting   =        74.76136407      -39.81280609
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.60004700
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569629 eV

  energy without entropy =      -10.83569629  energy(sigma->0) =      -10.83569629


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2052
  RMM-DIIS:  cpu time    0.1510: real time    0.1508
    ORTHCH:  cpu time    0.1100: real time    0.1095
       DOS:  cpu time    0.0010: real time    0.0012
    CHARGE:  cpu time    0.0200: real time    0.0207
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.4939: real time    0.4933

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3971032E-05  (-0.1663469E-05)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4591048 magnetization 

 Broyden mixing:
  rms(total) = 0.64753E-03    rms(broyden)= 0.64749E-03
  rms(prec ) = 0.17398E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9982
  1.0403  2.7220  2.2322

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.81537536
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92569677
  PAW double counting   =        74.63925027      -39.68589335
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.58557625
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569232 eV

  energy without entropy =      -10.83569232  energy(sigma->0) =      -10.83569232


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2049
  RMM-DIIS:  cpu time    0.1510: real time    0.1511
    ORTHCH:  cpu time    0.1100: real time    0.1091
       DOS:  cpu time    0.0010: real time    0.0012
    CHARGE:  cpu time    0.0210: real time    0.0208
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.4929: real time    0.4930

 eigenvalue-minimisations  :  3968
 total energy-change (2. order) :-0.1429741E-05  (-0.2441828E-06)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4590642 magnetization 

 Broyden mixing:
  rms(total) = 0.10909E-03    rms(broyden)= 0.10907E-03
  rms(prec ) = 0.28053E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0221
  1.0017  2.7371  2.1749  2.1749

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82028225
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92645490
  PAW double counting   =        74.58989793      -39.63456076
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.58925959
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569375 eV

  energy without entropy =      -10.83569375  energy(sigma->0) =      -10.83569375


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0044
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2044
  RMM-DIIS:  cpu time    0.1490: real time    0.1490
    ORTHCH:  cpu time    0.1090: real time    0.1090
       DOS:  cpu time    0.0010: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    0.4689: real time    0.4694

 eigenvalue-minimisations  :  2757
 total energy-change (2. order) :-0.4707169E-06  (-0.1447160E-07)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4590642 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82134889
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92612013
  PAW double counting   =        74.60598053      -39.65100009
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.59034772
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569422 eV

  energy without entropy =      -10.83569422  energy(sigma->0) =      -10.83569422


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -83.1579       2 -83.1579
 
 
 
 E-fermi :   5.9845     XC(G=0):  -9.4410     alpha+bet :-12.0766


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1051      2.00000
      2       5.8373      2.00000
      3       5.9447      2.00000
      4       5.9447      2.00000
      5       8.4626      0.00000
      6       8.4626      0.00000
      7       8.5162      0.00000
      8       9.3714      0.00000
      9      13.5079      0.00000
     10      13.7815      0.00000
     11      13.9002      0.00000
     12      16.9125      0.00000
     13      17.3343      0.00000
     14      17.3343      0.00000
     15      21.3744      0.00000
     16      29.0402      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9961      2.00000
      2       4.9205      2.00000
      3       5.7024      2.00000
      4       5.7793      2.00000
      5       8.5183      0.00000
      6       8.7126      0.00000
      7       8.7507      0.00000
      8      10.1335      0.00000
      9      13.2079      0.00000
     10      13.4487      0.00000
     11      14.3555      0.00000
     12      16.8042      0.00000
     13      17.7294      0.00000
     14      18.0136      0.00000
     15      22.0876      0.00000
     16      27.8884      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6731      2.00000
      2       3.2360      2.00000
      3       5.3484      2.00000
      4       5.4446      2.00000
      5       8.2259      0.00000
      6       9.2019      0.00000
      7       9.2102      0.00000
      8      11.7066      0.00000
      9      12.8954      0.00000
     10      13.0503      0.00000
     11      15.0885      0.00000
     12      16.7032      0.00000
     13      19.1953      0.00000
     14      19.5272      0.00000
     15      23.6051      0.00000
     16      25.6433      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.1526      2.00000
      2       1.5647      2.00000
      3       5.0124      2.00000
      4       5.1290      2.00000
      5       7.8821      0.00000
      6       9.4236      0.00000
      7       9.4769      0.00000
      8      13.1972      0.00000
      9      13.2831      0.00000
     10      13.3038      0.00000
     11      14.8719      0.00000
     12      18.2994      0.00000
     13      20.7968      0.00000
     14      21.0113      0.00000
     15      23.4141      0.00000
     16      23.4663      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4856      2.00000
      2       0.0965      2.00000
      3       4.7711      2.00000
      4       4.9046      2.00000
      5       7.6217      0.00000
      6       9.3352      0.00000
      7       9.4294      0.00000
      8      13.8283      0.00000
      9      14.3034      0.00000
     10      14.3628      0.00000
     11      15.5057      0.00000
     12      19.8900      0.00000
     13      19.9672      0.00000
     14      20.1230      0.00000
     15      22.6475      0.00000
     16      24.1564      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.8667      2.00000
      2      -0.9306      2.00000
      3       4.6478      2.00000
      4       4.7908      2.00000
      5       7.4861      0.00000
      6       9.2171      0.00000
      7       9.3226      0.00000
      8      13.6783      0.00000
      9      15.8179      0.00000
     10      15.9423      0.00000
     11      16.9618      0.00000
     12      17.8870      0.00000
     13      18.0520      0.00000
     14      19.4108      0.00000
     15      24.2866      0.00000
     16      26.6854      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9620      2.00000
      2       5.0474      2.00000
      3       5.4491      2.00000
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      8      10.0912      0.00000
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     10      13.9377      0.00000
     11      14.4917      0.00000
     12      17.5744      0.00000
     13      17.5744      0.00000
     14      17.6696      0.00000
     15      22.2644      0.00000
     16      27.4190      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7121      2.00000
      2       3.7299      2.00000
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     10      13.8658      0.00000
     11      15.3115      0.00000
     12      17.0919      0.00000
     13      18.4322      0.00000
     14      19.1816      0.00000
     15      23.5443      0.00000
     16      25.3262      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.2571      2.00000
      2       2.1113      2.00000
      3       4.7421      2.00000
      4       4.7767      2.00000
      5       8.4003      0.00000
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     10      13.9922      0.00000
     11      15.5273      0.00000
     12      17.8268      0.00000
     13      19.9012      0.00000
     14      20.9552      0.00000
     15      23.0114      0.00000
     16      23.5730      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.6307      2.00000
      2       0.5943      2.00000
      3       4.3761      2.00000
      4       4.5632      2.00000
      5       8.2542      0.00000
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      8      12.1289      0.00000
      9      14.8312      0.00000
     10      14.8500      0.00000
     11      15.5422      0.00000
     12      19.4641      0.00000
     13      19.6275      0.00000
     14      21.1517      0.00000
     15      22.9851      0.00000
     16      23.3568      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.9516      2.00000
      2      -0.6129      2.00000
      3       4.0674      2.00000
      4       4.5304      2.00000
      5       8.1176      0.00000
      6       9.0893      0.00000
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      8      13.4043      0.00000
      9      14.7451      0.00000
     10      16.2294      0.00000
     11      17.0443      0.00000
     12      17.6831      0.00000
     13      18.5683      0.00000
     14      21.1093      0.00000
     15      23.5162      0.00000
     16      25.1618      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.6691      2.00000
      2      -1.0301      2.00000
      3       3.8863      2.00000
      4       4.6376      2.00000
      5       8.0900      0.00000
      6       9.1546      0.00000
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      8      14.0076      0.00000
      9      15.3860      0.00000
     10      15.5443      0.00000
     11      16.9286      0.00000
     12      18.2305      0.00000
     13      18.7362      0.00000
     14      19.7126      0.00000
     15      24.7576      0.00000
     16      26.0355      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.1542      2.00000
      2      -0.2792      2.00000
      3       3.8532      2.00000
      4       4.8672      2.00000
      5       8.1828      0.00000
      6       9.3684      0.00000
      7       9.5561      0.00000
      8      13.6937      0.00000
      9      13.9093      0.00000
     10      15.0774      0.00000
     11      17.3968      0.00000
     12      18.0252      0.00000
     13      20.2333      0.00000
     14      20.5371      0.00000
     15      22.6211      0.00000
     16      24.0507      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.8414      2.00000
      2       1.0612      2.00000
      3       3.9821      2.00000
      4       5.1893      2.00000
      5       8.3879      0.00000
      6       9.4777      0.00000
      7       9.6122      0.00000
      8      12.6354      0.00000
      9      12.7408      0.00000
     10      15.1985      0.00000
     11      15.7124      0.00000
     12      18.7511      0.00000
     13      20.1641      0.00000
     14      21.8766      0.00000
     15      21.9642      0.00000
     16      23.6201      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.4202      2.00000
      2       2.6300      2.00000
      3       4.2866      2.00000
      4       5.5476      2.00000
      5       8.6730      0.00000
      6       9.1766      0.00000
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      8      11.7672      0.00000
      9      12.3536      0.00000
     10      14.2476      0.00000
     11      15.5756      0.00000
     12      17.2179      0.00000
     13      18.8930      0.00000
     14      21.0786      0.00000
     15      23.3658      0.00000
     16      24.4460      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.8130      2.00000
      2       4.1275      2.00000
      3       4.8503      2.00000
      4       5.8135      2.00000
      5       8.7633      0.00000
      6       8.8940      0.00000
      7       8.9441      0.00000
      8      10.9738      0.00000
      9      12.7287      0.00000
     10      13.5061      0.00000
     11      15.0052      0.00000
     12      16.9858      0.00000
     13      17.5080      0.00000
     14      19.3655      0.00000
     15      23.1632      0.00000
     16      25.8666      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.5353      2.00000
      2       3.5462      2.00000
      3       4.6207      2.00000
      4       4.6207      2.00000
      5       7.5682      0.00000
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      9      12.6478      0.00000
     10      14.4110      0.00000
     11      15.9454      0.00000
     12      18.2747      0.00000
     13      18.2747      0.00000
     14      18.7918      0.00000
     15      24.5953      0.00000
     16      25.0107      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.1496      2.00000
      2       2.4076      2.00000
      3       4.1601      2.00000
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      5       7.6313      0.00000
      6       9.6286      0.00000
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      8      11.1080      0.00000
      9      13.9344      0.00000
     10      14.6941      0.00000
     11      16.7248      0.00000
     12      18.1672      0.00000
     13      19.1754      0.00000
     14      20.4073      0.00000
     15      22.9708      0.00000
     16      23.4747      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.5769      2.00000
      2       1.0469      2.00000
      3       3.5819      2.00000
      4       4.0907      2.00000
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     10      15.6723      0.00000
     11      16.4871      0.00000
     12      19.2777      0.00000
     13      19.4132      0.00000
     14      21.0523      0.00000
     15      22.0628      0.00000
     16      23.3248      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8896      2.00000
      2      -0.1961      2.00000
      3       3.0792      2.00000
      4       4.0655      2.00000
      5       7.8978      0.00000
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     10      16.7149      0.00000
     11      17.4844      0.00000
     12      17.6229      0.00000
     13      18.7272      0.00000
     14      22.1363      0.00000
     15      23.8207      0.00000
     16      24.1643      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.3883      2.00000
      2      -0.9261      2.00000
      3       2.7324      2.00000
      4       4.2036      2.00000
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     10      15.4401      0.00000
     11      17.4017      0.00000
     12      18.6590      0.00000
     13      19.4488      0.00000
     14      21.9364      0.00000
     15      24.5386      0.00000
     16      24.9888      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.6620      2.00000
      2      -0.5264      2.00000
      3       2.5773      2.00000
      4       4.4874      2.00000
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     10      14.7447      0.00000
     11      17.2663      0.00000
     12      20.0162      0.00000
     13      20.6403      0.00000
     14      20.9486      0.00000
     15      22.2637      0.00000
     16      24.8087      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.3395      2.00000
      2       0.6016      2.00000
      3       2.6614      2.00000
      4       4.8777      2.00000
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     10      16.0817      0.00000
     11      17.9207      0.00000
     12      18.1089      0.00000
     13      19.8289      0.00000
     14      21.8985      0.00000
     15      22.5569      0.00000
     16      23.5557      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9645      2.00000
      2       1.8135      2.00000
      3       3.1489      2.00000
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     10      16.1080      0.00000
     11      16.5462      0.00000
     12      17.4270      0.00000
     13      19.7128      0.00000
     14      21.1160      0.00000
     15      22.6341      0.00000
     16      24.5171      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.8329      2.00000
      2       1.9117      2.00000
      3       3.9047      2.00000
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      5       6.9842      0.00000
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      9      14.4483      0.00000
     10      15.1986      0.00000
     11      17.7843      0.00000
     12      19.2436      0.00000
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     14      20.0514      0.00000
     15      22.9133      0.00000
     16      22.9133      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.3209      2.00000
      2       0.9649      2.00000
      3       3.3351      2.00000
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      5       7.1202      0.00000
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     10      15.9259      0.00000
     11      18.0288      0.00000
     12      19.2950      0.00000
     13      19.7386      0.00000
     14      20.7384      0.00000
     15      21.8244      0.00000
     16      22.7972      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6578      2.00000
      2      -0.0494      2.00000
      3       2.5583      2.00000
      4       3.6205      2.00000
      5       7.3042      0.00000
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     10      17.1637      0.00000
     11      17.6478      0.00000
     12      17.8342      0.00000
     13      19.6129      0.00000
     14      21.5774      0.00000
     15      22.7527      0.00000
     16      24.3805      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.0267      2.00000
      2      -0.8543      2.00000
      3       1.9517      2.00000
      4       3.7389      2.00000
      5       7.4451      0.00000
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     10      15.5102      0.00000
     11      18.9903      0.00000
     12      19.0510      0.00000
     13      19.7091      0.00000
     14      23.5881      0.00000
     15      23.6068      0.00000
     16      24.0910      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.0563      2.00000
      2      -0.7924      2.00000
      3       1.6494      2.00000
      4       4.0194      2.00000
      5       7.7486      0.00000
      6      11.7218      0.00000
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     10      13.7594      0.00000
     11      18.8931      0.00000
     12      21.0199      0.00000
     13      21.0824      0.00000
     14      21.8540      0.00000
     15      22.7623      0.00000
     16      23.7381      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6906      2.00000
      2      -0.0248      2.00000
      3       1.8041      2.00000
      4       4.4268      2.00000
      5       8.2091      0.00000
      6      11.1430      0.00000
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     10      14.8084      0.00000
     11      18.8113      0.00000
     12      19.5782      0.00000
     13      20.4392      0.00000
     14      22.6182      0.00000
     15      22.9165      0.00000
     16      23.5219      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.8693      2.00000
      2       0.2813      2.00000
      3       3.4030      2.00000
      4       3.4030      2.00000
      5       6.6271      0.00000
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      9      16.2976      0.00000
     10      16.4274      0.00000
     11      19.1213      0.00000
     12      19.1213      0.00000
     13      19.4071      0.00000
     14      21.4078      0.00000
     15      21.6731      0.00000
     16      22.6160      0.00000

 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.2478      2.00000
      2      -0.5296      2.00000
      3       2.8418      2.00000
      4       3.3004      2.00000
      5       6.8301      0.00000
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      7      14.1073      0.00000
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      9      17.4122      0.00000
     10      17.5115      0.00000
     11      17.7153      0.00000
     12      18.0034      0.00000
     13      20.5127      0.00000
     14      21.0533      0.00000
     15      21.6343      0.00000
     16      23.7558      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.5627      2.00000
      2      -1.2389      2.00000
      3       2.0182      2.00000
      4       3.3773      2.00000
      5       6.9940      0.00000
      6       8.8881      0.00000
      7      13.8344      0.00000
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      9      15.7199      0.00000
     10      15.7409      0.00000
     11      19.2281      0.00000
     12      19.6968      0.00000
     13      21.1399      0.00000
     14      21.3178      0.00000
     15      21.9764      0.00000
     16      23.9274      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -2.4657      2.00000
      2      -1.2778      2.00000
      3       1.4919      2.00000
      4       3.6262      2.00000
      5       7.2800      0.00000
      6      10.6431      0.00000
      7      13.1541      0.00000
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      9      13.9852      0.00000
     10      14.2059      0.00000
     11      20.6635      0.00000
     12      20.9950      0.00000
     13      21.3481      0.00000
     14      21.4726      0.00000
     15      21.7416      0.00000
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 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.6687      2.00000
      2      -1.2677      2.00000
      3       3.1467      2.00000
      4       3.1467      2.00000
      5       6.5774      0.00000
      6       6.8862      0.00000
      7      15.5003      0.00000
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      9      17.4963      0.00000
     10      17.4963      0.00000
     11      17.7026      0.00000
     12      18.2536      0.00000
     13      19.4092      0.00000
     14      19.5643      0.00000
     15      23.6946      0.00000
     16      24.5364      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.0175      2.00000
      2      -1.9109      2.00000
      3       2.6795      2.00000
      4       3.1732      2.00000
      5       6.7524      0.00000
      6       7.3581      0.00000
      7      15.4561      0.00000
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      9      16.0713      0.00000
     10      16.2466      0.00000
     11      19.1201      0.00000
     12      19.2129      0.00000
     13      19.3782      0.00000
     14      19.9403      0.00000
     15      23.6873      0.00000
     16      24.0585      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3947      2.00000
      2       2.8699      2.00000
      3       4.0976      2.00000
      4       5.0678      2.00000
      5       8.3296      0.00000
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     10      14.3919      0.00000
     11      16.1726      0.00000
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     13      18.7009      0.00000
     14      20.5723      0.00000
     15      23.0414      0.00000
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 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8801      2.00000
      2       1.5533      2.00000
      3       3.5227      2.00000
      4       4.7319      2.00000
      5       8.6565      0.00000
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     10      15.8274      0.00000
     11      16.3529      0.00000
     12      18.3003      0.00000
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     14      21.3048      0.00000
     15      21.9450      0.00000
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 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2162      2.00000
      2       0.2022      2.00000
      3       3.2497      2.00000
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      5       8.7049      0.00000
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     10      15.7758      0.00000
     11      17.5741      0.00000
     12      17.8798      0.00000
     13      20.1576      0.00000
     14      21.3124      0.00000
     15      22.9080      0.00000
     16      23.9999      0.00000

 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5885      2.00000
      2      -0.7961      2.00000
      3       3.1261      2.00000
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     10      15.7332      0.00000
     11      17.1089      0.00000
     12      18.4816      0.00000
     13      19.4558      0.00000
     14      21.5421      0.00000
     15      23.8128      0.00000
     16      25.5566      0.00000

 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7018      2.00000
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     10      15.9623      0.00000
     11      17.4240      0.00000
     12      18.5086      0.00000
     13      19.7570      0.00000
     14      21.2645      0.00000
     15      21.3313      0.00000
     16      23.5875      0.00000

 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.0816      2.00000
      2       0.4880      2.00000
      3       2.7804      2.00000
      4       3.7495      2.00000
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     10      16.6563      0.00000
     11      17.8376      0.00000
     12      18.4861      0.00000
     13      20.1068      0.00000
     14      20.7343      0.00000
     15      22.3610      0.00000
     16      24.1668      0.00000

 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.3980      2.00000
      2      -0.5247      2.00000
      3       2.3506      2.00000
      4       3.6171      2.00000
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     10      16.5684      0.00000
     11      17.6880      0.00000
     12      18.9271      0.00000
     13      19.7618      0.00000
     14      22.4292      0.00000
     15      23.9394      0.00000
     16      24.5293      0.00000

 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.1068      2.00000
      2      -0.8951      2.00000
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     10      15.9582      0.00000
     11      18.0283      0.00000
     12      18.9444      0.00000
     13      21.5987      0.00000
     14      22.2878      0.00000
     15      23.1310      0.00000
     16      24.2598      0.00000

 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6071      2.00000
      2      -0.2062      2.00000
      3       2.0704      2.00000
      4       4.0385      2.00000
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     10      14.8787      0.00000
     11      18.2300      0.00000
     12      20.2801      0.00000
     13      20.4253      0.00000
     14      20.9500      0.00000
     15      23.4635      0.00000
     16      23.7404      0.00000

 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.2901      2.00000
      2       0.7922      2.00000
      3       2.4469      2.00000
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      9      13.4901      0.00000
     10      16.5213      0.00000
     11      18.1021      0.00000
     12      18.3000      0.00000
     13      19.5068      0.00000
     14      21.7864      0.00000
     15      22.0699      0.00000
     16      24.7530      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.7561      2.00000
      2       0.1642      2.00000
      3       2.9154      2.00000
      4       3.2840      2.00000
      5       7.4172      0.00000
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      7      12.3330      0.00000
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      9      16.0900      0.00000
     10      17.2096      0.00000
     11      17.8274      0.00000
     12      19.2198      0.00000
     13      20.0493      0.00000
     14      20.7264      0.00000
     15      22.1673      0.00000
     16      22.8007      0.00000

 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.0693      2.00000
      2      -0.6494      2.00000
      3       2.2233      2.00000
      4       3.1157      2.00000
      5       7.7536      0.00000
      6       9.0990      0.00000
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     10      17.1097      0.00000
     11      18.0488      0.00000
     12      19.8234      0.00000
     13      20.4356      0.00000
     14      21.1091      0.00000
     15      22.9980      0.00000
     16      23.6207      0.00000

 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.5740      2.00000
      2      -1.1546      2.00000
      3       1.6567      2.00000
      4       3.2464      2.00000
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     10      16.0844      0.00000
     11      18.9989      0.00000
     12      20.1488      0.00000
     13      21.5669      0.00000
     14      21.9603      0.00000
     15      23.0994      0.00000
     16      24.1990      0.00000

 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9409      2.00000
      2      -0.7564      2.00000
      3       1.5275      2.00000
      4       3.5782      2.00000
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     10      14.7345      0.00000
     11      19.9370      0.00000
     12      20.4423      0.00000
     13      20.5044      0.00000
     14      22.5266      0.00000
     15      22.7215      0.00000
     16      23.6478      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.5891      2.00000
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      4       2.8367      2.00000
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     10      17.3034      0.00000
     11      18.0694      0.00000
     12      19.5555      0.00000
     13      19.7718      0.00000
     14      21.3570      0.00000
     15      22.4695      0.00000
     16      23.8907      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.0636      2.00000
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      3       2.0127      2.00000
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     10      16.3216      0.00000
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     13      21.4591      0.00000
     14      22.1943      0.00000
     15      22.5382      0.00000
     16      22.9871      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.4333      2.00000
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     10      15.4020      0.00000
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     13      20.1658      0.00000
     14      20.5338      0.00000
     15      22.6970      0.00000
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 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7832      2.00000
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     10      16.5168      0.00000
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     13      21.4600      0.00000
     14      22.3248      0.00000
     15      22.9054      0.00000
     16      24.7891      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
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     10      16.9911      0.00000
     11      18.4110      0.00000
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     13      21.5310      0.00000
     14      22.3557      0.00000
     15      22.8121      0.00000
     16      24.1486      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.1557      2.00000
      2      -1.4357      2.00000
      3       1.7380      2.00000
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     10      16.6783      0.00000
     11      18.6458      0.00000
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     13      21.5021      0.00000
     14      22.6458      0.00000
     15      24.1333      0.00000
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 k-point    57 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9583      2.00000
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     10      13.7392      0.00000
     11      14.5182      0.00000
     12      17.1803      0.00000
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     14      17.8745      0.00000
     15      22.4525      0.00000
     16      27.3980      0.00000

 k-point    58 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7046      2.00000
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     10      13.7050      0.00000
     11      15.3375      0.00000
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     13      18.2201      0.00000
     14      19.2603      0.00000
     15      23.8065      0.00000
     16      25.4283      0.00000

 k-point    59 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.2464      2.00000
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     11      15.4925      0.00000
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     13      19.7063      0.00000
     14      21.0384      0.00000
     15      23.0925      0.00000
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 k-point    60 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.6178      2.00000
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     11      15.6571      0.00000
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     14      21.1936      0.00000
     15      22.7866      0.00000
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 k-point    61 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.9404      2.00000
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     10      16.3315      0.00000
     11      17.1954      0.00000
     12      17.7742      0.00000
     13      18.6669      0.00000
     14      20.8589      0.00000
     15      23.4776      0.00000
     16      24.9090      0.00000

 k-point    62 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.6700      2.00000
      2      -1.0245      2.00000
      3       3.9898      2.00000
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     10      15.6307      0.00000
     11      16.9899      0.00000
     12      18.3487      0.00000
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     14      19.6751      0.00000
     15      24.9593      0.00000
     16      26.0488      0.00000

 k-point    63 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.1638      2.00000
      2      -0.2618      2.00000
      3       3.9513      2.00000
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     10      15.1774      0.00000
     11      17.1766      0.00000
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     13      20.3596      0.00000
     14      20.7036      0.00000
     15      22.8020      0.00000
     16      24.2400      0.00000

 k-point    64 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.8509      2.00000
      2       1.0801      2.00000
      3       4.0683      2.00000
      4       5.0881      2.00000
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     10      15.3464      0.00000
     11      15.5242      0.00000
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     13      20.0637      0.00000
     14      21.9121      0.00000
     15      22.0347      0.00000
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 k-point    65 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.4272      2.00000
      2       2.6422      2.00000
      3       4.3620      2.00000
      4       5.4600      2.00000
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     10      14.1232      0.00000
     11      15.6777      0.00000
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     14      20.8066      0.00000
     15      23.0365      0.00000
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 k-point    66 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.8167      2.00000
      2       4.1155      2.00000
      3       4.9319      2.00000
      4       5.7431      2.00000
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     10      13.5272      0.00000
     11      15.0072      0.00000
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     13      17.8667      0.00000
     14      19.1037      0.00000
     15      23.0484      0.00000
     16      25.4679      0.00000

 k-point    67 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5747      2.00000
      2      -0.8116      2.00000
      3       3.1013      2.00000
      4       4.2331      2.00000
      5       8.6298      0.00000
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     10      15.8312      0.00000
     11      17.0903      0.00000
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     14      21.2565      0.00000
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 k-point    68 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1934      2.00000
      2       0.1766      2.00000
      3       3.1879      2.00000
      4       4.4634      2.00000
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     10      15.7446      0.00000
     11      17.7962      0.00000
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     13      20.0954      0.00000
     14      21.1914      0.00000
     15      22.7089      0.00000
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 k-point    69 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8599      2.00000
      2       1.5386      2.00000
      3       3.4421      2.00000
      4       4.8124      2.00000
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     10      16.0093      0.00000
     11      16.2443      0.00000
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     14      21.3593      0.00000
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 k-point    70 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3803      2.00000
      2       2.8841      2.00000
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     10      14.4556      0.00000
     11      16.1642      0.00000
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     14      20.7179      0.00000
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 k-point    71 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.5205      2.00000
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     10      14.2231      0.00000
     11      16.0293      0.00000
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     13      18.3151      0.00000
     14      18.7937      0.00000
     15      24.9975      0.00000
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 k-point    72 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.1279      2.00000
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     14      20.3906      0.00000
     15      23.0178      0.00000
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 k-point    73 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.5498      2.00000
      2       1.0543      2.00000
      3       3.6344      2.00000
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     10      15.8117      0.00000
     11      16.5110      0.00000
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     14      21.1364      0.00000
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     16      23.3394      0.00000

 k-point    74 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.8618      2.00000
      2      -0.2029      2.00000
      3       3.1658      2.00000
      4       3.9603      2.00000
      5       7.7952      0.00000
      6      10.4036      0.00000
      7      10.9085      0.00000
      8      11.1584      0.00000
      9      15.8896      0.00000
     10      16.8049      0.00000
     11      17.5683      0.00000
     12      17.7551      0.00000
     13      18.8149      0.00000
     14      22.1314      0.00000
     15      23.6415      0.00000
     16      23.9581      0.00000

 k-point    75 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.3769      2.00000
      2      -0.9183      2.00000
      3       2.8303      2.00000
      4       4.0902      2.00000
      5       7.8932      0.00000
      6      10.2653      0.00000
      7      10.6243      0.00000
      8      12.7881      0.00000
      9      15.0575      0.00000
     10      15.5151      0.00000
     11      17.5295      0.00000
     12      18.7862      0.00000
     13      19.6373      0.00000
     14      21.6603      0.00000
     15      24.8371      0.00000
     16      25.0327      0.00000

 k-point    76 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6748      2.00000
      2      -0.4917      2.00000
      3       2.6728      2.00000
      4       4.3698      2.00000
      5       8.1494      0.00000
      6      10.2283      0.00000
      7      10.4317      0.00000
      8      13.6138      0.00000
      9      13.8431      0.00000
     10      14.5759      0.00000
     11      17.3852      0.00000
     12      19.7697      0.00000
     13      20.7838      0.00000
     14      21.1882      0.00000
     15      22.5727      0.00000
     16      24.8263      0.00000

 k-point    77 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.3561      2.00000
      2       0.6414      2.00000
      3       2.7480      2.00000
      4       4.7617      2.00000
      5       8.5297      0.00000
      6      10.1212      0.00000
      7      10.3594      0.00000
      8      12.2947      0.00000
      9      12.4787      0.00000
     10      16.0817      0.00000
     11      17.8272      0.00000
     12      18.0602      0.00000
     13      19.9311      0.00000
     14      22.0037      0.00000
     15      22.6751      0.00000
     16      23.7631      0.00000

 k-point    78 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9776      2.00000
      2       1.8421      2.00000
      3       3.2297      2.00000
      4       5.1837      2.00000
      5       8.8809      0.00000
      6       9.6556      0.00000
      7      10.0338      0.00000
      8      11.6498      0.00000
      9      11.9768      0.00000
     10      15.9173      0.00000
     11      16.6444      0.00000
     12      17.7098      0.00000
     13      19.7059      0.00000
     14      20.9740      0.00000
     15      22.4248      0.00000
     16      24.6688      0.00000

 k-point    79 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3837      2.00000
      2       2.8966      2.00000
      3       4.0671      2.00000
      4       5.0577      2.00000
      5       8.2062      0.00000
      6       9.5066      0.00000
      7      10.4070      0.00000
      8      10.7162      0.00000
      9      13.0208      0.00000
     10      14.2894      0.00000
     11      16.2274      0.00000
     12      17.4731      0.00000
     13      18.7327      0.00000
     14      20.4124      0.00000
     15      22.9992      0.00000
     16      24.9841      0.00000

 k-point    80 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.8660      2.00000
      2       1.5616      2.00000
      3       3.5129      2.00000
      4       4.7368      2.00000
      5       8.5088      0.00000
      6       9.4435      0.00000
      7      10.6396      0.00000
      8      10.8746      0.00000
      9      13.5537      0.00000
     10      15.8059      0.00000
     11      16.3794      0.00000
     12      18.3105      0.00000
     13      19.8300      0.00000
     14      21.2626      0.00000
     15      21.9774      0.00000
     16      24.1437      0.00000

 k-point    81 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.2005      2.00000
      2       0.1999      2.00000
      3       3.2732      2.00000
      4       4.3831      2.00000
      5       8.5296      0.00000
      6       9.2281      0.00000
      7      10.8178      0.00000
      8      11.6025      0.00000
      9      14.6814      0.00000
     10      15.8081      0.00000
     11      17.5800      0.00000
     12      17.8649      0.00000
     13      20.3476      0.00000
     14      21.3611      0.00000
     15      22.8889      0.00000
     16      23.8019      0.00000

 k-point    82 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5769      2.00000
      2      -0.7958      2.00000
      3       3.1873      2.00000
      4       4.1622      2.00000
      5       8.4932      0.00000
      6       9.0164      0.00000
      7      10.7531      0.00000
      8      13.0715      0.00000
      9      14.6465      0.00000
     10      15.8783      0.00000
     11      17.2539      0.00000
     12      18.7146      0.00000
     13      19.4699      0.00000
     14      21.2841      0.00000
     15      23.8627      0.00000
     16      25.5154      0.00000

 k-point    83 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.3172      2.00000
      2       0.8197      2.00000
      3       2.5405      2.00000
      4       4.3483      2.00000
      5       9.2142      0.00000
      6       9.4312      0.00000
      7      10.6454      0.00000
      8      11.6160      0.00000
      9      13.4394      0.00000
     10      16.4172      0.00000
     11      17.9436      0.00000
     12      18.5272      0.00000
     13      19.4772      0.00000
     14      21.8166      0.00000
     15      22.1367      0.00000
     16      24.8520      0.00000

 k-point    84 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.6342      2.00000
      2      -0.1668      2.00000
      3       2.1531      2.00000
      4       3.9275      2.00000
      5       8.7595      0.00000
      6       9.8487      0.00000
      7      11.5981      0.00000
      8      12.0563      0.00000
      9      14.3316      0.00000
     10      14.6953      0.00000
     11      18.4056      0.00000
     12      20.0555      0.00000
     13      20.5549      0.00000
     14      21.1171      0.00000
     15      23.6758      0.00000
     16      23.8359      0.00000

 k-point    85 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.1098      2.00000
      2      -0.8740      2.00000
      3       2.1508      2.00000
      4       3.6433      2.00000
      5       8.3859      0.00000
      6      10.0479      0.00000
      7      12.1108      0.00000
      8      12.6938      0.00000
      9      13.3512      0.00000
     10      15.8588      0.00000
     11      18.1551      0.00000
     12      18.9803      0.00000
     13      21.8644      0.00000
     14      22.0596      0.00000
     15      23.3803      0.00000
     16      24.2106      0.00000

 k-point    86 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.3652      2.00000
      2      -0.5319      2.00000
      3       2.3585      2.00000
      4       3.5790      2.00000
      5       8.1626      0.00000
      6      10.3042      0.00000
      7      11.0033      0.00000
      8      12.2262      0.00000
      9      15.1564      0.00000
     10      16.6290      0.00000
     11      17.5882      0.00000
     12      18.9103      0.00000
     13      20.0210      0.00000
     14      22.2566      0.00000
     15      23.7565      0.00000
     16      24.4353      0.00000

 k-point    87 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.0444      2.00000
      2       0.4957      2.00000
      3       2.7174      2.00000
      4       3.7615      2.00000
      5       8.0181      0.00000
      6       9.6064      0.00000
      7      10.7403      0.00000
      8      12.2691      0.00000
      9      15.2529      0.00000
     10      16.7816      0.00000
     11      18.0554      0.00000
     12      18.4410      0.00000
     13      20.0394      0.00000
     14      20.6766      0.00000
     15      22.3172      0.00000
     16      24.1177      0.00000

 k-point    88 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.6707      2.00000
      2       1.6007      2.00000
      3       3.2844      2.00000
      4       4.0824      2.00000
      5       7.6449      0.00000
      6       9.2123      0.00000
      7      11.0486      0.00000
      8      11.8838      0.00000
      9      14.3845      0.00000
     10      16.1228      0.00000
     11      17.4591      0.00000
     12      18.3740      0.00000
     13      19.8163      0.00000
     14      21.2498      0.00000
     15      21.4223      0.00000
     16      23.5903      0.00000

 k-point    89 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7574      2.00000
      2      -0.9090      2.00000
      3       1.7752      2.00000
      4       2.9639      2.00000
      5       9.3539      0.00000
      6       9.8427      0.00000
      7      11.0077      0.00000
      8      13.0589      0.00000
      9      14.0048      0.00000
     10      16.5977      0.00000
     11      18.4001      0.00000
     12      19.9061      0.00000
     13      21.3249      0.00000
     14      22.5244      0.00000
     15      22.9298      0.00000
     16      24.5238      0.00000

 k-point    90 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3922      2.00000
      2      -0.1970      2.00000
      3       2.0375      2.00000
      4       3.3016      2.00000
      5       8.9662      0.00000
      6       9.6143      0.00000
      7      10.3658      0.00000
      8      13.5355      0.00000
      9      15.0865      0.00000
     10      15.4459      0.00000
     11      19.3462      0.00000
     12      20.0190      0.00000
     13      20.0858      0.00000
     14      20.5956      0.00000
     15      22.6029      0.00000
     16      24.1416      0.00000

 k-point    91 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.8006      2.00000
      2       2.0211      2.00000
      3       3.7965      2.00000
      4       3.8269      2.00000
      5       6.8607      0.00000
      6       8.7038      0.00000
      7      11.9895      0.00000
      8      12.2246      0.00000
      9      14.5536      0.00000
     10      15.0627      0.00000
     11      17.9314      0.00000
     12      19.1097      0.00000
     13      19.2996      0.00000
     14      20.0175      0.00000
     15      22.8178      0.00000
     16      23.1570      0.00000

 k-point    92 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2796      2.00000
      2       1.0481      2.00000
      3       3.2813      2.00000
      4       3.5765      2.00000
      5       6.9911      0.00000
      6       8.3927      0.00000
      7      12.3342      0.00000
      8      12.6368      0.00000
      9      15.7537      0.00000
     10      16.1036      0.00000
     11      18.1080      0.00000
     12      19.3075      0.00000
     13      19.8090      0.00000
     14      20.7953      0.00000
     15      21.8406      0.00000
     16      22.8091      0.00000

 k-point    93 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6117      2.00000
      2      -0.0067      2.00000
      3       2.5680      2.00000
      4       3.5119      2.00000
      5       7.1933      0.00000
      6       9.1296      0.00000
      7      12.1773      0.00000
      8      12.4867      0.00000
      9      17.0198      0.00000
     10      17.2173      0.00000
     11      17.6521      0.00000
     12      18.0061      0.00000
     13      19.7052      0.00000
     14      21.6708      0.00000
     15      22.7420      0.00000
     16      24.3693      0.00000

 k-point    94 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9928      2.00000
      2      -0.8249      2.00000
      3       2.0029      2.00000
      4       3.6235      2.00000
      5       7.3265      0.00000
      6      10.6001      0.00000
      7      11.9481      0.00000
      8      12.2260      0.00000
      9      15.3688      0.00000
     10      15.6784      0.00000
     11      19.1301      0.00000
     12      19.1663      0.00000
     13      19.8900      0.00000
     14      23.4829      0.00000
     15      23.8025      0.00000
     16      24.2043      0.00000

 k-point    95 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.0619      2.00000
      2      -0.7359      2.00000
      3       1.7192      2.00000
      4       3.8992      2.00000
      5       7.6181      0.00000
      6      11.6168      0.00000
      7      11.8597      0.00000
      8      12.6408      0.00000
      9      13.6333      0.00000
     10      13.9108      0.00000
     11      19.1335      0.00000
     12      21.1108      0.00000
     13      21.3878      0.00000
     14      22.0429      0.00000
     15      22.5897      0.00000
     16      23.8610      0.00000

 k-point    96 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.7092      2.00000
      2       0.0334      2.00000
      3       1.8830      2.00000
      4       4.3055      2.00000
      5       8.0713      0.00000
      6      11.1033      0.00000
      7      11.5493      0.00000
      8      12.3611      0.00000
      9      12.6547      0.00000
     10      14.5989      0.00000
     11      19.1380      0.00000
     12      19.7665      0.00000
     13      20.1993      0.00000
     14      22.7454      0.00000
     15      23.1921      0.00000
     16      23.5425      0.00000

 k-point    97 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.6735      2.00000
      2       1.6180      2.00000
      3       3.3319      2.00000
      4       4.0387      2.00000
      5       7.6244      0.00000
      6       9.1918      0.00000
      7      10.8187      0.00000
      8      12.1062      0.00000
      9      14.5483      0.00000
     10      15.8818      0.00000
     11      17.5021      0.00000
     12      18.4897      0.00000
     13      19.8101      0.00000
     14      21.2763      0.00000
     15      21.3268      0.00000
     16      23.6703      0.00000

 k-point    98 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.0487      2.00000
      2       0.5194      2.00000
      3       2.7689      2.00000
      4       3.7249      2.00000
      5       7.9769      0.00000
      6       9.5740      0.00000
      7      10.4846      0.00000
      8      12.5020      0.00000
      9      15.4223      0.00000
     10      16.6315      0.00000
     11      17.7978      0.00000
     12      18.5170      0.00000
     13      20.2775      0.00000
     14      20.8897      0.00000
     15      22.4434      0.00000
     16      24.2530      0.00000

 k-point    99 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.3671      2.00000
      2      -0.5104      2.00000
      3       2.3977      2.00000
      4       3.5666      2.00000
      5       8.0980      0.00000
      6      10.0727      0.00000
      7      10.9408      0.00000
      8      12.4616      0.00000
      9      14.8860      0.00000
     10      16.7865      0.00000
     11      17.8622      0.00000
     12      19.1350      0.00000
     13      19.7538      0.00000
     14      22.5356      0.00000
     15      23.8588      0.00000
     16      24.6451      0.00000

 k-point   100 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.0993      2.00000
      2      -0.8641      2.00000
      3       2.1666      2.00000
      4       3.6614      2.00000
      5       8.3009      0.00000
      6       9.8167      0.00000
      7      12.3332      0.00000
      8      12.6182      0.00000
      9      13.1227      0.00000
     10      16.1314      0.00000
     11      18.2624      0.00000
     12      19.2308      0.00000
     13      21.6226      0.00000
     14      22.0375      0.00000
     15      23.4887      0.00000
     16      24.5042      0.00000

 k-point   101 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6165      2.00000
      2      -0.1593      2.00000
      3       2.1455      2.00000
      4       3.9652      2.00000
      5       8.6614      0.00000
      6       9.6413      0.00000
      7      11.3966      0.00000
      8      12.2543      0.00000
      9      14.5404      0.00000
     10      14.6781      0.00000
     11      18.4580      0.00000
     12      20.0386      0.00000
     13      20.7417      0.00000
     14      21.2547      0.00000
     15      23.5154      0.00000
     16      23.9769      0.00000

 k-point   102 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.3003      2.00000
      2       0.8351      2.00000
      3       2.5165      2.00000
      4       4.3847      2.00000
      5       9.1147      0.00000
      6       9.2385      0.00000
      7      10.5205      0.00000
      8      11.8114      0.00000
      9      13.5846      0.00000
     10      16.4032      0.00000
     11      17.9257      0.00000
     12      18.5366      0.00000
     13      19.5220      0.00000
     14      21.8755      0.00000
     15      22.3569      0.00000
     16      24.7181      0.00000

 k-point   103 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9603      2.00000
      2      -0.7007      2.00000
      3       1.5929      2.00000
      4       3.4597      2.00000
      5       8.2511      0.00000
      6      11.1339      0.00000
      7      11.8868      0.00000
      8      12.5848      0.00000
      9      13.4746      0.00000
     10      14.5974      0.00000
     11      20.2330      0.00000
     12      20.4943      0.00000
     13      20.6714      0.00000
     14      22.5055      0.00000
     15      22.5521      0.00000
     16      23.9278      0.00000

 k-point   104 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.5532      2.00000
      2      -1.1089      2.00000
      3       1.6796      2.00000
      4       3.1410      2.00000
      5       7.8664      0.00000
      6      10.5361      0.00000
      7      11.7947      0.00000
      8      13.4125      0.00000
      9      13.9413      0.00000
     10      15.9465      0.00000
     11      19.0182      0.00000
     12      20.2944      0.00000
     13      21.5696      0.00000
     14      22.2091      0.00000
     15      23.2727      0.00000
     16      24.4228      0.00000

 k-point   105 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.0163      2.00000
      2      -0.6041      2.00000
      3       2.1805      2.00000
      4       3.0420      2.00000
      5       7.6388      0.00000
      6       8.9600      0.00000
      7      12.1090      0.00000
      8      13.9776      0.00000
      9      15.4542      0.00000
     10      17.0770      0.00000
     11      17.8871      0.00000
     12      20.0282      0.00000
     13      20.5162      0.00000
     14      20.9882      0.00000
     15      23.1471      0.00000
     16      23.6595      0.00000

 k-point   106 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.7047      2.00000
      2       0.2364      2.00000
      3       2.8068      2.00000
      4       3.2416      2.00000
      5       7.2793      0.00000
      6       8.1463      0.00000
      7      12.4661      0.00000
      8      13.6076      0.00000
      9      15.9746      0.00000
     10      17.4157      0.00000
     11      18.0286      0.00000
     12      19.1013      0.00000
     13      20.0765      0.00000
     14      20.6862      0.00000
     15      22.2142      0.00000
     16      22.8109      0.00000

 k-point   107 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.1572      2.00000
      2      -1.4039      2.00000
      3       1.7563      2.00000
      4       2.4303      2.00000
      5       9.2484      0.00000
      6      10.5521      0.00000
      7      11.4304      0.00000
      8      11.4576      0.00000
      9      15.5292      0.00000
     10      16.5820      0.00000
     11      18.6633      0.00000
     12      19.8397      0.00000
     13      21.6685      0.00000
     14      22.5939      0.00000
     15      24.2631      0.00000
     16      24.2950      0.00000

 k-point   108 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.3381      2.00000
      2      -1.2378      2.00000
      3       1.9996      2.00000
      4       2.4131      2.00000
      5       8.8817      0.00000
      6       9.0910      0.00000
      7      11.6924      0.00000
      8      13.3085      0.00000
      9      15.4819      0.00000
     10      16.9766      0.00000
     11      18.2750      0.00000
     12      19.6181      0.00000
     13      21.5627      0.00000
     14      22.5953      0.00000
     15      23.0069      0.00000
     16      24.2357      0.00000

 k-point   109 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.8151      2.00000
      2       0.3914      2.00000
      3       3.2886      2.00000
      4       3.3051      2.00000
      5       6.4931      0.00000
      6       7.5334      0.00000
      7      13.6293      0.00000
      8      13.9329      0.00000
      9      16.0993      0.00000
     10      16.5979      0.00000
     11      19.0232      0.00000
     12      19.3025      0.00000
     13      19.5712      0.00000
     14      21.4280      0.00000
     15      21.7071      0.00000
     16      22.6612      0.00000

 k-point   110 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1842      2.00000
      2      -0.4355      2.00000
      3       2.7627      2.00000
      4       3.1894      2.00000
      5       6.7020      0.00000
      6       7.5364      0.00000
      7      13.9444      0.00000
      8      14.2734      0.00000
      9      17.3067      0.00000
     10      17.4901      0.00000
     11      17.8171      0.00000
     12      18.1471      0.00000
     13      20.5749      0.00000
     14      21.1276      0.00000
     15      21.7536      0.00000
     16      23.8212      0.00000

 k-point   111 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.5031      2.00000
      2      -1.1666      2.00000
      3       1.9886      2.00000
      4       3.2618      2.00000
      5       6.8729      0.00000
      6       8.7184      0.00000
      7      13.7080      0.00000
      8      14.0929      0.00000
      9      15.5819      0.00000
     10      15.9251      0.00000
     11      19.2179      0.00000
     12      19.8578      0.00000
     13      21.2260      0.00000
     14      21.4359      0.00000
     15      22.0932      0.00000
     16      24.2257      0.00000

 k-point   112 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4487      2.00000
      2      -1.2000      2.00000
      3       1.5131      2.00000
      4       3.5073      2.00000
      5       7.1532      0.00000
      6      10.4410      0.00000
      7      13.0930      0.00000
      8      13.7504      0.00000
      9      13.8963      0.00000
     10      14.2726      0.00000
     11      20.8190      0.00000
     12      21.1921      0.00000
     13      21.6163      0.00000
     14      21.6856      0.00000
     15      21.8168      0.00000
     16      23.5088      0.00000

 k-point   113 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.7064      2.00000
      2       0.2477      2.00000
      3       2.8421      2.00000
      4       3.2251      2.00000
      5       7.2536      0.00000
      6       8.1231      0.00000
      7      12.1641      0.00000
      8      13.8971      0.00000
      9      16.2368      0.00000
     10      17.1210      0.00000
     11      17.7286      0.00000
     12      19.3710      0.00000
     13      20.2484      0.00000
     14      20.8981      0.00000
     15      22.2217      0.00000
     16      22.9268      0.00000

 k-point   114 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.0170      2.00000
      2      -0.5888      2.00000
      3       2.2027      2.00000
      4       3.0522      2.00000
      5       7.5886      0.00000
      6       8.9218      0.00000
      7      11.8043      0.00000
      8      14.2718      0.00000
      9      15.1308      0.00000
     10      17.3408      0.00000
     11      18.2377      0.00000
     12      19.7755      0.00000
     13      20.6345      0.00000
     14      21.3130      0.00000
     15      23.0190      0.00000
     16      23.7544      0.00000

 k-point   115 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.5445      2.00000
      2      -1.0976      2.00000
      3       1.6837      2.00000
      4       3.1754      2.00000
      5       7.7917      0.00000
      6      10.4781      0.00000
      7      11.5217      0.00000
      8      13.1397      0.00000
      9      14.1996      0.00000
     10      16.2740      0.00000
     11      19.2926      0.00000
     12      20.4084      0.00000
     13      21.6715      0.00000
     14      22.1197      0.00000
     15      23.3607      0.00000
     16      24.1476      0.00000

 k-point   116 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9429      2.00000
      2      -0.6915      2.00000
      3       1.5824      2.00000
      4       3.5060      2.00000
      5       8.1588      0.00000
      6      10.8815      0.00000
      7      11.6280      0.00000
      8      12.5632      0.00000
      9      13.7045      0.00000
     10      14.8813      0.00000
     11      20.2710      0.00000
     12      20.7745      0.00000
     13      20.7871      0.00000
     14      22.4899      0.00000
     15      22.7793      0.00000
     16      23.6185      0.00000

 k-point   117 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.3969      2.00000
      2      -0.1582      2.00000
      3       2.0933      2.00000
      4       3.2683      2.00000
      5       8.8984      0.00000
      6       9.5411      0.00000
      7      10.0999      0.00000
      8      13.7888      0.00000
      9      14.7992      0.00000
     10      15.6263      0.00000
     11      19.6468      0.00000
     12      19.9261      0.00000
     13      20.3436      0.00000
     14      20.7477      0.00000
     15      22.9198      0.00000
     16      24.0574      0.00000

 k-point   118 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.7522      2.00000
      2      -0.8695      2.00000
      3       1.8167      2.00000
      4       2.9446      2.00000
      5       9.2512      0.00000
      6       9.6031      0.00000
      7      10.9033      0.00000
      8      12.7824      0.00000
      9      14.2559      0.00000
     10      16.8031      0.00000
     11      18.7405      0.00000
     12      20.1410      0.00000
     13      21.6587      0.00000
     14      22.3094      0.00000
     15      23.0892      0.00000
     16      24.5494      0.00000

 k-point   119 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.0145      2.00000
      2      -1.6275      2.00000
      3       1.9712      2.00000
      4       2.8127      2.00000
      5       7.5037      0.00000
      6       8.7488      0.00000
      7      13.5615      0.00000
      8      13.7993      0.00000
      9      15.5623      0.00000
     10      16.1565      0.00000
     11      18.8524      0.00000
     12      19.6231      0.00000
     13      21.7477      0.00000
     14      22.4407      0.00000
     15      22.7884      0.00000
     16      23.1205      0.00000

 k-point   120 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.5183      2.00000
      2      -1.1727      2.00000
      3       2.6192      2.00000
      4       2.7538      2.00000
      5       7.2066      0.00000
      6       7.4809      0.00000
      7      14.0275      0.00000
      8      15.2712      0.00000
      9      15.9243      0.00000
     10      17.1939      0.00000
     11      17.8691      0.00000
     12      19.3903      0.00000
     13      20.0009      0.00000
     14      21.6256      0.00000
     15      22.6071      0.00000
     16      23.9973      0.00000

 k-point   121 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5908      2.00000
      2      -1.1693      2.00000
      3       3.0310      2.00000
      4       3.0363      2.00000
      5       6.4487      0.00000
      6       6.7820      0.00000
      7      15.3301      0.00000
      8      15.6590      0.00000
      9      17.3605      0.00000
     10      17.5607      0.00000
     11      17.7152      0.00000
     12      18.3842      0.00000
     13      19.2648      0.00000
     14      19.7712      0.00000
     15      23.8552      0.00000
     16      24.6913      0.00000

 k-point   122 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.9372      2.00000
      2      -1.8232      2.00000
      3       2.5923      2.00000
      4       3.0585      2.00000
      5       6.6325      0.00000
      6       7.2183      0.00000
      7      15.3814      0.00000
      8      15.6478      0.00000
      9      16.1890      0.00000
     10      16.3126      0.00000
     11      19.0304      0.00000
     12      19.1197      0.00000
     13      19.5563      0.00000
     14      20.0543      0.00000
     15      23.9692      0.00000
     16      24.2695      0.00000

 k-point   123 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.5178      2.00000
      2      -1.1681      2.00000
      3       2.6416      2.00000
      4       2.7598      2.00000
      5       7.1789      0.00000
      6       7.4541      0.00000
      7      13.6903      0.00000
      8      15.2815      0.00000
      9      15.8975      0.00000
     10      17.5410      0.00000
     11      18.2067      0.00000
     12      19.6702      0.00000
     13      19.7839      0.00000
     14      21.2283      0.00000
     15      22.6777      0.00000
     16      24.1659      0.00000

 k-point   124 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.0079      2.00000
      2      -1.6231      2.00000
      3       1.9827      2.00000
      4       2.8412      2.00000
      5       7.4501      0.00000
      6       8.7092      0.00000
      7      13.2461      0.00000
      8      13.4699      0.00000
      9      15.8811      0.00000
     10      16.5083      0.00000
     11      19.2021      0.00000
     12      19.9726      0.00000
     13      21.4046      0.00000
     14      22.0785      0.00000
     15      22.8159      0.00000
     16      23.2232      0.00000

 k-point   125 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.3324      2.00000
      2      -1.2155      2.00000
      3       2.0351      2.00000
      4       2.4182      2.00000
      5       8.8061      0.00000
      6       9.0147      0.00000
      7      11.3946      0.00000
      8      13.0019      0.00000
      9      15.7862      0.00000
     10      17.2632      0.00000
     11      18.6206      0.00000
     12      19.9833      0.00000
     13      21.6829      0.00000
     14      22.3234      0.00000
     15      23.0465      0.00000
     16      24.2089      0.00000

 k-point   126 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.1311      2.00000
      2      -1.3836      2.00000
      3       1.7560      2.00000
      4       2.4590      2.00000
      5       9.1400      0.00000
      6      10.4124      0.00000
      7      11.1804      0.00000
      8      11.2078      0.00000
      9      15.8120      0.00000
     10      16.9007      0.00000
     11      18.9480      0.00000
     12      20.1384      0.00000
     13      21.7873      0.00000
     14      22.8310      0.00000
     15      24.0626      0.00000
     16      24.3258      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.405  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.178  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.178  -0.000   0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.178   0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.491  -0.799   0.000  -0.000   0.000   0.000   0.000   0.000
 -0.799   0.801   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   1.036   0.000  -0.000  -0.584  -0.000   0.000
 -0.000   0.000   0.000   1.036   0.000  -0.000  -0.575  -0.000
  0.000   0.000  -0.000   0.000   1.036   0.000  -0.000  -0.575
  0.000   0.000  -0.584  -0.000   0.000   0.387   0.000  -0.000
  0.000   0.000  -0.000  -0.575  -0.000   0.000   0.377   0.000
  0.000   0.000   0.000  -0.000  -0.575  -0.000   0.000   0.377


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0210: real time    0.0207
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0100: real time    0.0094
    STRESS:  cpu time    0.1330: real time    0.1330
    FORCOR:  cpu time    0.0040: real time    0.0040
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.38997     3.38997     3.38997
  Ewald     -76.90605   -75.34278   -76.90605    -0.00000     0.00000    -0.00000
  Hartree     4.85141     5.11816     4.85141     0.00000     0.00000     0.00000
  E(xc)     -25.41526   -25.41833   -25.41527    -0.00000    -0.00000    -0.00000
  Local     -28.48436   -30.41269   -28.48436     0.00001     0.00001     0.00001
  n-local    77.49789    78.17164    78.36380    -1.30483     1.40238     1.41878
  augment   -11.65581   -11.65600   -11.65582    -0.00001    -0.00001    -0.00001
  Kinetic    55.41286    56.56800    58.73746    -1.15201     2.41749     1.66744
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.78589     0.41798     0.78589     0.00000     0.00000     0.00000
  in kB      31.69971    16.85953    31.69971     0.00000     0.00000     0.00000
  external pressure =       26.75 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.72
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.735100200  0.000000000     0.185550789  0.182808659 -0.185550789
     0.000000000  2.735100200  2.694680000    -0.185550789  0.182808659  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.182808659  0.185550789

  length of vectors
     3.839540781  3.839540781  3.810853002     0.319808062  0.319808062  0.319808062


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.152E-06 0.178E-06 0.152E-06   0.187E-14 -.420E-14 0.134E-15   -.511E-16 -.331E-17 -.303E-16   0.609E-08 0.557E-08 0.208E-08
   -.152E-06 -.178E-06 -.152E-06   -.134E-14 0.475E-14 -.168E-15   0.392E-16 -.129E-17 0.461E-16   -.609E-08 -.557E-08 -.208E-08
 -----------------------------------------------------------------------------------------------
   -.149E-13 0.311E-13 -.381E-13   0.532E-15 0.551E-15 -.332E-16   -.119E-16 -.460E-17 0.158E-16   -.800E-15 -.796E-15 0.442E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      1.34734      1.36755      1.34734        -0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.83569422 eV

  energy  without entropy=      -10.83569422  energy(sigma->0) =      -10.83569422
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.3103418E-01-0.310E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.2303460E+01 0.230E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0056


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   2/  7
  Displacement:        1/  2
  Total:               3/ 14
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     3.8108530023
 C/A-ratio  =     1.3930003589
  
  Lattice vectors:
  
 A1 = (  -2.6946800000,   2.6542598000,   0.0000000000)
 A2 = (   2.6946800000,   2.6542598000,   0.0000000000)
 A3 = (   0.0000000000,  -2.6542598000,  -2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000    90.000000     0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     0.000000     1.000000    -0.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     0.000000     1.000000    -0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
    6     1.000000   180.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
    8     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    9    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000     0.250000    -0.750000
   10     1.000000    90.000000     0.000000    -1.000000    -0.000000     0.250000     0.250000    -0.750000
   11    -1.000000   180.000000     0.000000     1.000000    -0.000000     0.250000     0.250000    -0.750000
   12     1.000000    90.000000     0.000000     1.000000    -0.000000     0.250000     0.250000    -0.750000
   13     1.000000   180.000000     0.707107     0.000000     0.707107     0.250000     0.250000    -0.750000
   14    -1.000000   180.000000     0.000000     0.000000    -1.000000     0.250000     0.250000    -0.750000
   15     1.000000   180.000000     0.707107     0.000000    -0.707107     0.250000     0.250000    -0.750000
   16    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000     0.250000    -0.750000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    126 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      8.000000
  0.181818 -0.000000 -0.000000      8.000000
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 -0.363636  0.363636  0.272727      8.000000
 -0.272727  0.363636  0.272727     16.000000
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  0.454545  0.090909  0.363636      8.000000
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 -0.272727  0.090909  0.363636      8.000000
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 -0.454545  0.090909  0.454545      8.000000
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 -0.363636  0.181818  0.454545      8.000000
 -0.272727  0.181818  0.454545      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
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  0.033737  0.034250 -0.033737      8.000000
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  0.050605  0.017125 -0.016868     16.000000
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  0.084341  0.051375 -0.050605     16.000000
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  0.050605  0.085626 -0.016868     16.000000
  0.067473  0.102751 -0.033737     16.000000
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  0.033737  0.102751  0.000000      8.000000
  0.050605  0.119876 -0.016868     16.000000
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 -0.050605 -0.119876  0.185551      8.000000
 -0.033737 -0.102751  0.168683     16.000000
 -0.050605 -0.017125  0.185551      8.000000
 -0.033737  0.000000  0.168683      8.000000
  0.168683  0.000000  0.000000      4.000000
 -0.000000 -0.171251  0.168683      8.000000
 -0.016868 -0.154126  0.185551      8.000000
  0.000000 -0.137001  0.168683      8.000000
 -0.016868 -0.119876  0.185551      8.000000
 -0.000000 -0.102751  0.168683      8.000000
 
    WAVPRE:  cpu time    0.0750: real time    0.0790
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0200: real time    0.0203
    ORTHCH:  cpu time    0.1130: real time    0.1131
     LOOP+:  cpu time    3.3535: real time    3.3629


--------------------------------------- Iteration      5(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0100
    SETDIJ:  cpu time    0.0020: real time    0.0014
    EDDIAG:  cpu time    0.2040: real time    0.2042
  RMM-DIIS:  cpu time    0.1730: real time    0.1730
    ORTHCH:  cpu time    0.1080: real time    0.1086
       DOS:  cpu time    0.0020: real time    0.0014
    CHARGE:  cpu time    0.0200: real time    0.0206
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5159: real time    0.5194

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.2650081E-01  (-0.1292141E-01)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4574463 magnetization 

 Broyden mixing:
  rms(total) = 0.30579E-01    rms(broyden)= 0.30575E-01
  rms(prec ) = 0.10691E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.96988263
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.77974347
  PAW double counting   =        74.61095739      -39.65607975
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.81932110
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80919294 eV

  energy without entropy =      -10.80919294  energy(sigma->0) =      -10.80919294


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2051
  RMM-DIIS:  cpu time    0.1890: real time    0.1889
    ORTHCH:  cpu time    0.1090: real time    0.1087
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0206
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5299: real time    0.5303

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3031628E-02  (-0.8002177E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4584112 magnetization 

 Broyden mixing:
  rms(total) = 0.17945E-01    rms(broyden)= 0.17944E-01
  rms(prec ) = 0.61623E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3455
  2.3455

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.74529599
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78668032
  PAW double counting   =        74.91665603      -39.96928385
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.61220840
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80616131 eV

  energy without entropy =      -10.80616131  energy(sigma->0) =      -10.80616131


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0041
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2035
  RMM-DIIS:  cpu time    0.1880: real time    0.1887
    ORTHCH:  cpu time    0.1090: real time    0.1084
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0204
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5279: real time    0.5280

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.1510095E-02  (-0.1352486E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4600610 magnetization 

 Broyden mixing:
  rms(total) = 0.25030E-02    rms(broyden)= 0.25028E-02
  rms(prec ) = 0.58581E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1550
  2.0649  2.2452

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46112680
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.79098312
  PAW double counting   =        75.47025050      -40.53673949
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.34771327
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80465122 eV

  energy without entropy =      -10.80465122  energy(sigma->0) =      -10.80465122


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0041
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2030: real time    0.2025
  RMM-DIIS:  cpu time    0.1890: real time    0.1891
    ORTHCH:  cpu time    0.1090: real time    0.1085
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0200: real time    0.0205
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5279: real time    0.5277

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.6251484E-05  (-0.2313438E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601123 magnetization 

 Broyden mixing:
  rms(total) = 0.64156E-03    rms(broyden)= 0.64152E-03
  rms(prec ) = 0.15111E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0133
  1.0527  2.2257  2.7615

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46932934
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78746018
  PAW double counting   =        75.61010359      -40.68189177
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35768582
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80465747 eV

  energy without entropy =      -10.80465747  energy(sigma->0) =      -10.80465747


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0041
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2037
  RMM-DIIS:  cpu time    0.1720: real time    0.1727
    ORTHCH:  cpu time    0.1090: real time    0.1084
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0205
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5119: real time    0.5123

 eigenvalue-minimisations  :  3882
 total energy-change (2. order) :-0.3151640E-05  (-0.2182009E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601293 magnetization 

 Broyden mixing:
  rms(total) = 0.11466E-03    rms(broyden)= 0.11465E-03
  rms(prec ) = 0.29415E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0418
  0.9984  2.7783  2.1952  2.1952

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46895756
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78656918
  PAW double counting   =        75.64851020      -40.72196097
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35808247
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80466062 eV

  energy without entropy =      -10.80466062  energy(sigma->0) =      -10.80466062


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2035
  RMM-DIIS:  cpu time    0.1710: real time    0.1714
    ORTHCH:  cpu time    0.1090: real time    0.1086
       DOS:  cpu time    0.0010: real time    0.0014
    --------------------------------------------
      LOOP:  cpu time    0.4899: real time    0.4904

 eigenvalue-minimisations  :  2778
 total energy-change (2. order) : 0.5813490E-06  (-0.1488078E-07)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601293 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46777991
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78691355
  PAW double counting   =        75.63202008      -40.70510429
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35688320
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80466004 eV

  energy without entropy =      -10.80466004  energy(sigma->0) =      -10.80466004


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.8162       2 -82.8162
 
 
 
 E-fermi :   6.3288     XC(G=0):  -9.5591     alpha+bet :-12.4444


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0057      2.00000
      2       6.1833      2.00000
      3       6.1833      2.00000
      4       6.2898      2.00000
      5       8.7655      0.00000
      6       8.8196      0.00000
      7       8.8196      0.00000
      8      10.0333      0.00000
      9      13.8280      0.00000
     10      14.1055      0.00000
     11      14.3319      0.00000
     12      17.4563      0.00000
     13      17.4563      0.00000
     14      17.9049      0.00000
     15      21.8834      0.00000
     16      29.9156      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.8939      2.00000
      2       5.2265      2.00000
      3       6.0049      2.00000
      4       6.0855      2.00000
      5       8.8836      0.00000
      6       9.0504      0.00000
      7       9.0742      0.00000
      8      10.7455      0.00000
      9      13.5212      0.00000
     10      13.7642      0.00000
     11      14.7973      0.00000
     12      17.2149      0.00000
     13      18.1306      0.00000
     14      18.4615      0.00000
     15      22.6112      0.00000
     16      28.7209      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.5623      2.00000
      2       3.5143      2.00000
      3       5.6431      2.00000
      4       5.7410      2.00000
      5       8.6299      0.00000
      6       9.5444      0.00000
      7       9.5450      0.00000
      8      12.2878      0.00000
      9      13.2021      0.00000
     10      13.3588      0.00000
     11      15.5201      0.00000
     12      17.1443      0.00000
     13      19.6563      0.00000
     14      19.9879      0.00000
     15      24.1682      0.00000
     16      26.0438      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0273      2.00000
      2       1.8068      2.00000
      3       5.3004      2.00000
      4       5.4191      2.00000
      5       8.2944      0.00000
      6       9.7427      0.00000
      7       9.8130      0.00000
      8      13.5816      0.00000
      9      13.5942      0.00000
     10      13.8045      0.00000
     11      15.3008      0.00000
     12      18.8283      0.00000
     13      21.3092      0.00000
     14      21.5199      0.00000
     15      23.9528      0.00000
     16      24.0694      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.3394      2.00000
      2       0.3013      2.00000
      3       5.0551      2.00000
      4       5.1912      2.00000
      5       8.0363      0.00000
      6       9.6303      0.00000
      7       9.7481      0.00000
      8      14.2064      0.00000
      9      14.6576      0.00000
     10      14.7425      0.00000
     11      16.0815      0.00000
     12      20.3733      0.00000
     13      20.5803      0.00000
     14      20.6995      0.00000
     15      23.2846      0.00000
     16      24.9076      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.6955      2.00000
      2      -0.7593      2.00000
      3       4.9301      2.00000
      4       5.0760      2.00000
      5       7.9015      0.00000
      6       9.4988      0.00000
      7       9.6313      0.00000
      8      14.0274      0.00000
      9      16.2015      0.00000
     10      16.3551      0.00000
     11      17.5426      0.00000
     12      18.3665      0.00000
     13      18.5396      0.00000
     14      20.1299      0.00000
     15      24.9227      0.00000
     16      27.0167      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.8537      2.00000
      2       5.5118      2.00000
      3       5.6607      2.00000
      4       5.6607      2.00000
      5       8.4207      0.00000
      6       9.5203      0.00000
      7       9.5203      0.00000
      8      10.7121      0.00000
      9      13.2655      0.00000
     10      13.9939      0.00000
     11      14.9735      0.00000
     12      17.7272      0.00000
     13      17.7272      0.00000
     14      18.3613      0.00000
     15      23.0599      0.00000
     16      28.3507      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.5921      2.00000
      2       4.0487      2.00000
      3       5.2418      2.00000
      4       5.5243      2.00000
      5       8.4486      0.00000
      6       9.6747      0.00000
      7      10.1241      0.00000
      8      11.4082      0.00000
      9      13.1513      0.00000
     10      13.9791      0.00000
     11      15.8048      0.00000
     12      17.4043      0.00000
     13      18.6057      0.00000
     14      19.6968      0.00000
     15      24.4726      0.00000
     16      26.1782      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1202      2.00000
      2       2.3639      2.00000
      3       4.9044      2.00000
      4       5.1685      2.00000
      5       8.6208      0.00000
      6       9.6711      0.00000
      7      10.4322      0.00000
      8      11.6284      0.00000
      9      14.2602      0.00000
     10      14.3649      0.00000
     11      15.8925      0.00000
     12      18.3336      0.00000
     13      20.1381      0.00000
     14      21.5434      0.00000
     15      23.7244      0.00000
     16      24.4236      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.4721      2.00000
      2       0.8000      2.00000
      3       4.7057      2.00000
      4       4.7909      2.00000
      5       8.5090      0.00000
      6       9.6823      0.00000
      7      10.3007      0.00000
      8      12.3493      0.00000
      9      15.1966      0.00000
     10      15.2899      0.00000
     11      16.2510      0.00000
     12      20.1033      0.00000
     13      20.2327      0.00000
     14      21.7340      0.00000
     15      23.2658      0.00000
     16      23.9284      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.7705      2.00000
      2      -0.4400      2.00000
      3       4.4904      2.00000
      4       4.6606      2.00000
      5       8.3823      0.00000
      6       9.6139      0.00000
      7      10.0298      0.00000
      8      13.6173      0.00000
      9      15.0445      0.00000
     10      16.7841      0.00000
     11      17.8314      0.00000
     12      18.2921      0.00000
     13      19.2466      0.00000
     14      21.4120      0.00000
     15      24.0975      0.00000
     16      25.4090      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.4919      2.00000
      2      -0.8522      2.00000
      3       4.3048      2.00000
      4       4.7651      2.00000
      5       8.3726      0.00000
      6       9.6424      0.00000
      7       9.8370      0.00000
      8      14.4108      0.00000
      9      15.6058      0.00000
     10      16.0486      0.00000
     11      17.5092      0.00000
     12      18.9144      0.00000
     13      19.1568      0.00000
     14      20.3958      0.00000
     15      25.6561      0.00000
     16      26.7390      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0106      2.00000
      2      -0.0571      2.00000
      3       4.2570      2.00000
      4       5.0030      2.00000
      5       8.4973      0.00000
      6       9.7751      0.00000
      7       9.8139      0.00000
      8      14.1691      0.00000
      9      14.3241      0.00000
     10      15.6179      0.00000
     11      17.6468      0.00000
     12      18.2634      0.00000
     13      20.9835      0.00000
     14      21.3573      0.00000
     15      23.4671      0.00000
     16      24.8928      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7206      2.00000
      2       1.3235      2.00000
      3       4.3661      2.00000
      4       5.3448      2.00000
      5       8.7375      0.00000
      6       9.7531      0.00000
      7      10.0283      0.00000
      8      13.0362      0.00000
      9      13.1489      0.00000
     10      15.7939      0.00000
     11      15.9910      0.00000
     12      19.3353      0.00000
     13      20.5366      0.00000
     14      22.4964      0.00000
     15      22.5812      0.00000
     16      24.5277      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3124      2.00000
      2       2.9232      2.00000
      3       4.6549      2.00000
      4       5.7319      2.00000
      5       9.0455      0.00000
      6       9.5193      0.00000
      7       9.9280      0.00000
      8      12.3252      0.00000
      9      12.5230      0.00000
     10      14.5216      0.00000
     11      16.1531      0.00000
     12      17.7947      0.00000
     13      19.7188      0.00000
     14      21.2157      0.00000
     15      23.5054      0.00000
     16      25.0036      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7111      2.00000
      2       4.4212      2.00000
      3       5.2334      2.00000
      4       6.0272      2.00000
      5       9.1214      0.00000
      6       9.2517      0.00000
      7       9.3521      0.00000
      8      11.5582      0.00000
      9      12.8335      0.00000
     10      13.8499      0.00000
     11      15.4625      0.00000
     12      17.4868      0.00000
     13      18.4274      0.00000
     14      19.4683      0.00000
     15      23.5392      0.00000
     16      25.9630      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4006      2.00000
      2       4.0132      2.00000
      3       4.7853      2.00000
      4       4.7853      2.00000
      5       7.7258      0.00000
      6      10.4800      0.00000
      7      10.9209      0.00000
      8      10.9209      0.00000
      9      13.4331      0.00000
     10      14.4963      0.00000
     11      16.5395      0.00000
     12      18.5220      0.00000
     13      18.5220      0.00000
     14      19.2172      0.00000
     15      25.7310      0.00000
     16      25.8256      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.9950      2.00000
      2       2.7658      2.00000
      3       4.4169      2.00000
      4       4.4237      2.00000
      5       7.7700      0.00000
      6       9.9678      0.00000
      7      11.2468      0.00000
      8      11.4925      0.00000
      9      14.7024      0.00000
     10      14.8825      0.00000
     11      17.2613      0.00000
     12      18.5938      0.00000
     13      19.4775      0.00000
     14      20.8421      0.00000
     15      23.6724      0.00000
     16      24.2219      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.3984      2.00000
      2       1.3077      2.00000
      3       3.9174      2.00000
      4       4.2148      2.00000
      5       8.0200      0.00000
      6      10.2647      0.00000
      7      11.0828      0.00000
      8      11.5022      0.00000
      9      15.8373      0.00000
     10      16.4104      0.00000
     11      16.9707      0.00000
     12      19.8782      0.00000
     13      19.9351      0.00000
     14      21.7195      0.00000
     15      22.4729      0.00000
     16      23.8774      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.6873      2.00000
      2       0.0073      2.00000
      3       3.4479      2.00000
      4       4.1774      2.00000
      5       8.0583      0.00000
      6      10.8513      0.00000
      7      11.2014      0.00000
      8      11.4830      0.00000
      9      16.3271      0.00000
     10      17.2576      0.00000
     11      18.1793      0.00000
     12      18.3070      0.00000
     13      19.4018      0.00000
     14      22.7047      0.00000
     15      24.1634      0.00000
     16      24.5262      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.1873      2.00000
      2      -0.7296      2.00000
      3       3.1053      2.00000
      4       4.3108      2.00000
      5       8.1580      0.00000
      6      10.7253      0.00000
      7      10.8980      0.00000
      8      13.1265      0.00000
      9      15.5571      0.00000
     10      15.9060      0.00000
     11      18.0441      0.00000
     12      19.3458      0.00000
     13      20.3200      0.00000
     14      22.2106      0.00000
     15      25.5350      0.00000
     16      25.7635      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.5075      2.00000
      2      -0.2752      2.00000
      3       2.9373      2.00000
      4       4.5991      2.00000
      5       8.4270      0.00000
      6      10.6888      0.00000
      7      10.7036      0.00000
      8      14.0905      0.00000
      9      14.1975      0.00000
     10      14.9668      0.00000
     11      17.8779      0.00000
     12      20.2756      0.00000
     13      21.4187      0.00000
     14      21.8684      0.00000
     15      23.2673      0.00000
     16      25.4439      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2141      2.00000
      2       0.8991      2.00000
      3       3.0011      2.00000
      4       5.0046      2.00000
      5       8.8333      0.00000
      6      10.4903      0.00000
      7      10.7377      0.00000
      8      12.7337      0.00000
      9      12.7988      0.00000
     10      16.5428      0.00000
     11      18.3501      0.00000
     12      18.5310      0.00000
     13      20.4802      0.00000
     14      22.5971      0.00000
     15      23.2872      0.00000
     16      24.5030      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.8526      2.00000
      2       2.1306      2.00000
      3       3.4832      2.00000
      4       5.4432      2.00000
      5       9.2230      0.00000
      6      10.0246      0.00000
      7      10.4203      0.00000
      8      12.0969      0.00000
      9      12.2301      0.00000
     10      16.3930      0.00000
     11      17.1616      0.00000
     12      18.2374      0.00000
     13      20.1854      0.00000
     14      21.4722      0.00000
     15      22.8967      0.00000
     16      25.4243      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.6554      2.00000
      2       2.3657      2.00000
      3       4.0270      2.00000
      4       4.0270      2.00000
      5       7.0915      0.00000
      6       8.9937      0.00000
      7      12.5304      0.00000
      8      12.5304      0.00000
      9      15.2658      0.00000
     10      15.3320      0.00000
     11      18.5120      0.00000
     12      19.6547      0.00000
     13      19.6547      0.00000
     14      20.4461      0.00000
     15      23.5994      0.00000
     16      23.5994      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1168      2.00000
      2       1.3576      2.00000
      3       3.4973      2.00000
      4       3.7827      2.00000
      5       7.2208      0.00000
      6       8.6552      0.00000
      7      12.8712      0.00000
      8      12.9570      0.00000
      9      16.1765      0.00000
     10      16.7273      0.00000
     11      18.6412      0.00000
     12      19.8151      0.00000
     13      20.3388      0.00000
     14      21.3465      0.00000
     15      22.3470      0.00000
     16      23.3487      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.4269      2.00000
      2       0.2559      2.00000
      3       2.7856      2.00000
      4       3.7155      2.00000
      5       7.4247      0.00000
      6       9.3879      0.00000
      7      12.7459      0.00000
      8      12.7579      0.00000
      9      17.5931      0.00000
     10      17.6523      0.00000
     11      18.1422      0.00000
     12      18.6608      0.00000
     13      20.2330      0.00000
     14      22.2910      0.00000
     15      23.2564      0.00000
     16      25.0137      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.7885      2.00000
      2      -0.5969      2.00000
      3       2.2184      2.00000
      4       3.8294      2.00000
      5       7.5576      0.00000
      6      10.8675      0.00000
      7      12.4113      0.00000
      8      12.6009      0.00000
      9      15.9400      0.00000
     10      16.0422      0.00000
     11      19.6878      0.00000
     12      19.6973      0.00000
     13      20.5933      0.00000
     14      24.2461      0.00000
     15      24.2783      0.00000
     16      24.8643      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.8734      2.00000
      2      -0.4941      2.00000
      3       1.9284      2.00000
      4       4.1127      2.00000
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     10      14.3200      0.00000
     11      19.6884      0.00000
     12      21.7774      0.00000
     13      22.0304      0.00000
     14      22.6968      0.00000
     15      23.1756      0.00000
     16      24.5414      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     10      14.9939      0.00000
     11      19.7334      0.00000
     12      20.3257      0.00000
     13      20.7392      0.00000
     14      23.4030      0.00000
     15      23.8997      0.00000
     16      24.1412      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.6357      2.00000
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     10      17.2469      0.00000
     11      19.6846      0.00000
     12      19.6846      0.00000
     13      20.2400      0.00000
     14      21.9171      0.00000
     15      22.1927      0.00000
     16      23.2450      0.00000

 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.9837      2.00000
      2      -0.1517      2.00000
      3       2.9491      2.00000
      4       3.3834      2.00000
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     10      18.1475      0.00000
     11      18.2099      0.00000
     12      18.7657      0.00000
     13      21.3007      0.00000
     14      21.5634      0.00000
     15      22.2985      0.00000
     16      24.4327      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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      2      -0.9104      2.00000
      3       2.1617      2.00000
      4       3.4571      2.00000
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     10      16.2960      0.00000
     11      19.7615      0.00000
     12      20.5361      0.00000
     13      21.8881      0.00000
     14      21.9607      0.00000
     15      22.7035      0.00000
     16      24.9052      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -2.2339      2.00000
      2      -0.9475      2.00000
      3       1.6861      2.00000
      4       3.7091      2.00000
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     10      14.5157      0.00000
     11      21.5772      0.00000
     12      21.6758      0.00000
     13      22.3036      0.00000
     14      22.3362      0.00000
     15      22.4155      0.00000
     16      24.1778      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.3700      2.00000
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      3       3.2230      2.00000
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      5       6.6524      0.00000
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     10      18.0157      0.00000
     11      18.0157      0.00000
     12      19.0542      0.00000
     13      19.7990      0.00000
     14      20.3782      0.00000
     15      24.4403      0.00000
     16      25.3366      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -1.6953      2.00000
      2      -1.5790      2.00000
      3       2.7702      2.00000
      4       3.2483      2.00000
      5       6.8390      0.00000
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     10      16.6477      0.00000
     11      19.5603      0.00000
     12      19.6350      0.00000
     13      20.1895      0.00000
     14      20.6857      0.00000
     15      24.6262      0.00000
     16      24.9009      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.2589      2.00000
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      3       4.2640      2.00000
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     10      14.8141      0.00000
     11      16.6833      0.00000
     12      17.7888      0.00000
     13      19.0216      0.00000
     14      21.0382      0.00000
     15      23.8103      0.00000
     16      25.6174      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7237      2.00000
      2       1.8086      2.00000
      3       3.7034      2.00000
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     10      16.4696      0.00000
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     12      18.7090      0.00000
     13      20.3630      0.00000
     14      21.8391      0.00000
     15      22.5382      0.00000
     16      24.7197      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.0362      2.00000
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     13      20.8232      0.00000
     14      21.7944      0.00000
     15      23.3080      0.00000
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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     13      20.2265      0.00000
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     15      24.2772      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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     14      21.8006      0.00000
     15      21.9068      0.00000
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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     10      17.2139      0.00000
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     15      22.9290      0.00000
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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     14      22.5694      0.00000
     15      24.1389      0.00000
     16      25.0034      0.00000

 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
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     14      21.8025      0.00000
     15      24.2680      0.00000
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1668      2.00000
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     14      22.4102      0.00000
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 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5234      2.00000
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     10      17.7874      0.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8121      2.00000
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     10      17.7408      0.00000
     11      18.5845      0.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3345      2.00000
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     10      16.5932      0.00000
     11      19.7604      0.00000
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     13      22.3088      0.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.7635      2.00000
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     10      15.1842      0.00000
     11      20.8551      0.00000
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     14      23.0665      0.00000
     15      23.3281      0.00000
     16      24.4511      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.2958      2.00000
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      3       2.8083      2.00000
      4       2.9418      2.00000
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     10      17.8899      0.00000
     11      18.5413      0.00000
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     14      22.0494      0.00000
     15      23.2200      0.00000
     16      24.7461      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.7754      2.00000
      2      -1.3791      2.00000
      3       2.1459      2.00000
      4       3.0110      2.00000
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     11      19.6090      0.00000
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     13      22.2248      0.00000
     14      22.9222      0.00000
     15      23.4416      0.00000
     16      23.7737      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.2046      2.00000
      2       0.0790      2.00000
      3       2.2315      2.00000
      4       3.5276      2.00000
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     11      19.9418      0.00000
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     14      21.1953      0.00000
     15      23.3899      0.00000
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 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.5459      2.00000
      2      -0.6565      2.00000
      3       1.9697      2.00000
      4       3.1773      2.00000
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     10      17.2551      0.00000
     11      19.1112      0.00000
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     13      22.0746      0.00000
     14      23.1121      0.00000
     15      23.6003      0.00000
     16      25.1037      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.1107      2.00000
      2      -0.9771      2.00000
      3       2.1826      2.00000
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     10      17.6688      0.00000
     11      18.9991      0.00000
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     13      22.1957      0.00000
     14      23.1036      0.00000
     15      23.6725      0.00000
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 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -1.9246      2.00000
      2      -1.1491      2.00000
      3       1.9353      2.00000
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      5       9.4465      0.00000
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     10      17.2521      0.00000
     11      19.4156      0.00000
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     13      22.3234      0.00000
     14      23.2666      0.00000
     15      24.8835      0.00000
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 k-point    57 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.8577      2.00000
      2       5.4129      2.00000
      3       5.6816      2.00000
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      5       8.4929      0.00000
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     10      14.1979      0.00000
     11      14.9454      0.00000
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     13      18.1470      0.00000
     14      18.1694      0.00000
     15      22.8491      0.00000
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 k-point    58 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.5999      2.00000
      2       4.0369      2.00000
      3       5.3065      2.00000
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      5       8.5442      0.00000
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     10      14.1357      0.00000
     11      15.7791      0.00000
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     13      18.7788      0.00000
     14      19.6947      0.00000
     15      24.1838      0.00000
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 k-point    59 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1315      2.00000
      2       2.3721      2.00000
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     10      14.3306      0.00000
     11      15.9400      0.00000
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     13      20.2985      0.00000
     14      21.5012      0.00000
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 k-point    60 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.4857      2.00000
      2       0.8140      2.00000
      3       4.6749      2.00000
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     10      15.2402      0.00000
     11      16.1482      0.00000
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 k-point    61 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.7826      2.00000
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     10      16.6539      0.00000
     11      17.6622      0.00000
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     14      21.6633      0.00000
     15      24.1167      0.00000
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 k-point    62 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.4906      2.00000
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     10      15.9889      0.00000
     11      17.4538      0.00000
     12      18.7385      0.00000
     13      19.2760      0.00000
     14      20.4110      0.00000
     15      25.4677      0.00000
     16      26.6827      0.00000

 k-point    63 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.0002      2.00000
      2      -0.0760      2.00000
      3       4.1493      2.00000
      4       5.1183      2.00000
      5       8.5659      0.00000
      6       9.7027      0.00000
      7       9.8551      0.00000
      8      14.1038      0.00000
      9      14.3004      0.00000
     10      15.5265      0.00000
     11      17.8704      0.00000
     12      18.4632      0.00000
     13      20.7754      0.00000
     14      21.2622      0.00000
     15      23.2902      0.00000
     16      24.6681      0.00000

 k-point    64 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7103      2.00000
      2       1.3024      2.00000
      3       4.2732      2.00000
      4       5.4508      2.00000
      5       8.7818      0.00000
      6       9.7984      0.00000
      7       9.9552      0.00000
      8      13.0240      0.00000
      9      13.1244      0.00000
     10      15.6339      0.00000
     11      16.1796      0.00000
     12      19.3074      0.00000
     13      20.6475      0.00000
     14      22.4022      0.00000
     15      22.5364      0.00000
     16      24.3363      0.00000

 k-point    65 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3049      2.00000
      2       2.9079      2.00000
      3       4.5759      2.00000
      4       5.8225      2.00000
      5       9.0676      0.00000
      6       9.5191      0.00000
      7       9.8837      0.00000
      8      12.2583      0.00000
      9      12.6155      0.00000
     10      14.6577      0.00000
     11      16.0422      0.00000
     12      17.7025      0.00000
     13      19.4304      0.00000
     14      21.4841      0.00000
     15      23.8433      0.00000
     16      25.0394      0.00000

 k-point    66 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7072      2.00000
      2       4.4288      2.00000
      3       5.1513      2.00000
      4       6.1003      2.00000
      5       9.0859      0.00000
      6       9.2777      0.00000
      7       9.3266      0.00000
      8      11.5391      0.00000
      9      12.9655      0.00000
     10      13.8692      0.00000
     11      15.4624      0.00000
     12      17.4096      0.00000
     13      18.0428      0.00000
     14      19.7363      0.00000
     15      23.6788      0.00000
     16      26.3743      0.00000

 k-point    67 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4078      2.00000
      2      -0.6027      2.00000
      3       3.4249      2.00000
      4       4.4291      2.00000
      5       8.9429      0.00000
      6       9.2946      0.00000
      7      11.0782      0.00000
      8      13.6020      0.00000
      9      15.0380      0.00000
     10      16.1969      0.00000
     11      17.7007      0.00000
     12      19.1614      0.00000
     13      19.9946      0.00000
     14      22.1099      0.00000
     15      24.5321      0.00000
     16      26.1660      0.00000

 k-point    68 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.0606      2.00000
      2       0.4329      2.00000
      3       3.5354      2.00000
      4       4.6303      2.00000
      5       8.9685      0.00000
      6       9.5194      0.00000
      7      11.1662      0.00000
      8      12.0591      0.00000
      9      15.0256      0.00000
     10      16.2370      0.00000
     11      18.0626      0.00000
     12      18.3230      0.00000
     13      20.8845      0.00000
     14      21.9253      0.00000
     15      23.5299      0.00000
     16      24.5881      0.00000

 k-point    69 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7452      2.00000
      2       1.8287      2.00000
      3       3.7889      2.00000
      4       4.9895      2.00000
      5       8.9249      0.00000
      6       9.8155      0.00000
      7      10.9994      0.00000
      8      11.2094      0.00000
      9      13.9232      0.00000
     10      16.2847      0.00000
     11      16.8507      0.00000
     12      18.8353      0.00000
     13      20.3031      0.00000
     14      21.8036      0.00000
     15      22.4884      0.00000
     16      24.6986      0.00000

 k-point    70 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.2742      2.00000
      2       3.1833      2.00000
      3       4.3589      2.00000
      4       5.3344      2.00000
      5       8.6007      0.00000
      6       9.9320      0.00000
      7      10.7485      0.00000
      8      11.0017      0.00000
      9      13.4316      0.00000
     10      14.7204      0.00000
     11      16.6883      0.00000
     12      17.9766      0.00000
     13      19.2569      0.00000
     14      20.9046      0.00000
     15      23.4895      0.00000
     16      25.4161      0.00000

 k-point    71 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4162      2.00000
      2       3.9112      2.00000
      3       4.8387      2.00000
      4       4.8881      2.00000
      5       7.8296      0.00000
      6      10.4289      0.00000
      7      10.8116      0.00000
      8      10.9726      0.00000
      9      13.2437      0.00000
     10      14.6836      0.00000
     11      16.4506      0.00000
     12      18.4763      0.00000
     13      18.8510      0.00000
     14      19.2457      0.00000
     15      25.3075      0.00000
     16      25.4721      0.00000

 k-point    72 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0179      2.00000
      2       2.7230      2.00000
      3       4.4150      2.00000
      4       4.5189      2.00000
      5       7.8894      0.00000
      6       9.9564      0.00000
      7      11.1549      0.00000
      8      11.5216      0.00000
      9      14.5488      0.00000
     10      15.0119      0.00000
     11      17.2170      0.00000
     12      18.6133      0.00000
     13      19.5808      0.00000
     14      20.8968      0.00000
     15      23.5224      0.00000
     16      24.1781      0.00000

 k-point    73 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.4271      2.00000
      2       1.3059      2.00000
      3       3.8539      2.00000
      4       4.3170      2.00000
      5       8.1210      0.00000
      6      10.3533      0.00000
      7      10.9729      0.00000
      8      11.5840      0.00000
      9      15.8083      0.00000
     10      16.3056      0.00000
     11      16.9506      0.00000
     12      19.8172      0.00000
     13      19.9196      0.00000
     14      21.6255      0.00000
     15      22.5527      0.00000
     16      23.9090      0.00000

 k-point    74 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.7170      2.00000
      2       0.0179      2.00000
      3       3.3523      2.00000
      4       4.2888      2.00000
      5       8.1595      0.00000
      6      10.7305      0.00000
      7      11.3043      0.00000
      8      11.6474      0.00000
      9      16.2845      0.00000
     10      17.1372      0.00000
     11      18.0279      0.00000
     12      18.2347      0.00000
     13      19.3424      0.00000
     14      22.7057      0.00000
     15      24.2921      0.00000
     16      24.7770      0.00000

 k-point    75 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.1990      2.00000
      2      -0.7368      2.00000
      3       2.9994      2.00000
      4       4.4291      2.00000
      5       8.2783      0.00000
      6      10.5877      0.00000
      7      11.0028      0.00000
      8      13.3314      0.00000
      9      15.4633      0.00000
     10      15.8820      0.00000
     11      17.9205      0.00000
     12      19.1743      0.00000
     13      20.1681      0.00000
     14      22.4897      0.00000
     15      25.2634      0.00000
     16      25.6033      0.00000

 k-point    76 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.4931      2.00000
      2      -0.3125      2.00000
      3       2.8352      2.00000
      4       4.7203      2.00000
      5       8.5625      0.00000
      6      10.5460      0.00000
      7      10.7890      0.00000
      8      13.9869      0.00000
      9      14.2378      0.00000
     10      15.1374      0.00000
     11      17.7472      0.00000
     12      20.5170      0.00000
     13      21.1924      0.00000
     14      21.6988      0.00000
     15      22.9509      0.00000
     16      25.4128      0.00000

 k-point    77 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.1961      2.00000
      2       0.8556      2.00000
      3       2.9098      2.00000
      4       5.1230      2.00000
      5       8.9713      0.00000
      6      10.4637      0.00000
      7      10.6660      0.00000
      8      12.6759      0.00000
      9      12.8368      0.00000
     10      16.5491      0.00000
     11      18.4265      0.00000
     12      18.5925      0.00000
     13      20.3590      0.00000
     14      22.4803      0.00000
     15      23.1447      0.00000
     16      24.3059      0.00000

 k-point    78 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.8386      2.00000
      2       2.0978      2.00000
      3       3.3993      2.00000
      4       5.5512      2.00000
      5       9.3492      0.00000
      6       9.9904      0.00000
      7      10.3218      0.00000
      8      12.0437      0.00000
      9      12.3067      0.00000
     10      16.5837      0.00000
     11      17.0618      0.00000
     12      17.9356      0.00000
     13      20.2040      0.00000
     14      21.5948      0.00000
     15      23.1047      0.00000
     16      25.2299      0.00000

 k-point    79 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.2706      2.00000
      2       3.1687      2.00000
      3       4.2960      2.00000
      4       5.4025      2.00000
      5       8.6140      0.00000
      6      10.0814      0.00000
      7      10.5893      0.00000
      8      10.9997      0.00000
      9      13.4001      0.00000
     10      14.8916      0.00000
     11      16.6252      0.00000
     12      17.8491      0.00000
     13      18.9849      0.00000
     14      21.2242      0.00000
     15      23.8525      0.00000
     16      25.2421      0.00000

 k-point    80 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7387      2.00000
      2       1.8039      2.00000
      3       3.7155      2.00000
      4       5.0649      2.00000
      5       8.9630      0.00000
      6       9.9698      0.00000
      7      10.9515      0.00000
      8      11.1332      0.00000
      9      13.8554      0.00000
     10      16.4824      0.00000
     11      16.7055      0.00000
     12      18.6968      0.00000
     13      20.3459      0.00000
     14      21.8729      0.00000
     15      22.5006      0.00000
     16      24.5927      0.00000

 k-point    81 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.0528      2.00000
      2       0.4081      2.00000
      3       3.4485      2.00000
      4       4.7081      2.00000
      5       9.0493      0.00000
      6       9.6576      0.00000
      7      11.0243      0.00000
      8      12.1014      0.00000
      9      14.9189      0.00000
     10      16.1679      0.00000
     11      18.2745      0.00000
     12      18.4557      0.00000
     13      20.6207      0.00000
     14      21.7541      0.00000
     15      23.3280      0.00000
     16      24.5763      0.00000

 k-point    82 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4050      2.00000
      2      -0.6195      2.00000
      3       3.3422      2.00000
      4       4.4918      2.00000
      5       9.0939      0.00000
      6       9.3769      0.00000
      7      10.9360      0.00000
      8      13.6432      0.00000
      9      15.1846      0.00000
     10      16.1456      0.00000
     11      17.5365      0.00000
     12      18.9014      0.00000
     13      20.2171      0.00000
     14      22.0794      0.00000
     15      24.2232      0.00000
     16      26.1491      0.00000

 k-point    83 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.1377      2.00000
      2       1.0722      2.00000
      3       2.6644      2.00000
      4       4.7190      2.00000
      5       9.5437      0.00000
      6       9.5724      0.00000
      7      10.8598      0.00000
      8      12.1435      0.00000
      9      13.9832      0.00000
     10      16.9778      0.00000
     11      18.6581      0.00000
     12      18.7828      0.00000
     13      20.0110      0.00000
     14      22.3767      0.00000
     15      22.8249      0.00000
     16      25.3425      0.00000

 k-point    84 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.4320      2.00000
      2       0.0426      2.00000
      3       2.2914      2.00000
      4       4.2845      2.00000
      5       9.0878      0.00000
      6       9.9657      0.00000
      7      11.7587      0.00000
      8      12.5973      0.00000
      9      14.9837      0.00000
     10      15.2631      0.00000
     11      18.7712      0.00000
     12      20.8347      0.00000
     13      21.1078      0.00000
     14      21.6432      0.00000
     15      24.0411      0.00000
     16      24.5038      0.00000

 k-point    85 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.9081      2.00000
      2      -0.6778      2.00000
      3       2.3285      2.00000
      4       3.9594      2.00000
      5       8.7037      0.00000
      6      10.1611      0.00000
      7      12.6981      0.00000
      8      13.1266      0.00000
      9      13.5488      0.00000
     10      16.5627      0.00000
     11      18.6141      0.00000
     12      19.6551      0.00000
     13      22.1554      0.00000
     14      22.8411      0.00000
     15      23.8597      0.00000
     16      25.0689      0.00000

 k-point    86 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.2099      2.00000
      2      -0.2908      2.00000
      3       2.5929      2.00000
      4       3.8378      2.00000
      5       8.4844      0.00000
      6      10.4258      0.00000
      7      11.4396      0.00000
      8      12.8426      0.00000
      9      15.2923      0.00000
     10      17.1376      0.00000
     11      18.3314      0.00000
     12      19.5917      0.00000
     13      20.2917      0.00000
     14      23.1247      0.00000
     15      24.5936      0.00000
     16      25.2552      0.00000

 k-point    87 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.9175      2.00000
      2       0.7655      2.00000
      3       3.0143      2.00000
      4       3.9741      2.00000
      5       8.3652      0.00000
      6       9.9562      0.00000
      7      10.8915      0.00000
      8      12.8865      0.00000
      9      15.8100      0.00000
     10      17.0746      0.00000
     11      18.3296      0.00000
     12      18.9843      0.00000
     13      20.7777      0.00000
     14      21.4029      0.00000
     15      22.9726      0.00000
     16      24.8363      0.00000

 k-point    88 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.5568      2.00000
      2       1.8743      2.00000
      3       3.6174      2.00000
      4       4.3020      2.00000
      5       8.0163      0.00000
      6       9.5143      0.00000
      7      11.2134      0.00000
      8      12.4870      0.00000
      9      14.9837      0.00000
     10      16.3832      0.00000
     11      17.9666      0.00000
     12      18.9835      0.00000
     13      20.2638      0.00000
     14      21.7957      0.00000
     15      21.8397      0.00000
     16      24.2388      0.00000

 k-point    89 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.5740      2.00000
      2      -0.6414      2.00000
      3       2.0147      2.00000
      4       3.1440      2.00000
      5       9.6400      0.00000
      6       9.9917      0.00000
      7      11.4071      0.00000
      8      13.1611      0.00000
      9      14.6404      0.00000
     10      17.1627      0.00000
     11      19.2493      0.00000
     12      20.5985      0.00000
     13      22.2146      0.00000
     14      22.8924      0.00000
     15      23.5953      0.00000
     16      25.3762      0.00000

 k-point    90 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.2488      2.00000
      2       0.0854      2.00000
      3       2.3298      2.00000
      4       3.4658      2.00000
      5       9.3418      0.00000
      6       9.8938      0.00000
      7      10.5412      0.00000
      8      14.1560      0.00000
      9      15.2267      0.00000
     10      15.9956      0.00000
     11      20.1778      0.00000
     12      20.5284      0.00000
     13      20.8334      0.00000
     14      21.2023      0.00000
     15      23.4902      0.00000
     16      24.5628      0.00000

 k-point    91 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.6895      2.00000
      2       2.2535      2.00000
      3       4.1086      2.00000
      4       4.1389      2.00000
      5       7.2197      0.00000
      6       8.9822      0.00000
      7      12.3925      0.00000
      8      12.6272      0.00000
      9      15.0898      0.00000
     10      15.5293      0.00000
     11      18.3546      0.00000
     12      19.5815      0.00000
     13      19.7921      0.00000
     14      20.5051      0.00000
     15      23.3594      0.00000
     16      23.7095      0.00000

 k-point    92 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.1605      2.00000
      2       1.2748      2.00000
      3       3.5487      2.00000
      4       3.8887      2.00000
      5       7.3545      0.00000
      6       8.7056      0.00000
      7      12.7541      0.00000
      8      13.0626      0.00000
      9      16.2077      0.00000
     10      16.6517      0.00000
     11      18.5536      0.00000
     12      19.7811      0.00000
     13      20.2632      0.00000
     14      21.2817      0.00000
     15      22.3449      0.00000
     16      23.3611      0.00000

 k-point    93 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.4757      2.00000
      2       0.2164      2.00000
      3       2.7698      2.00000
      4       3.8290      2.00000
      5       7.5385      0.00000
      6       9.5336      0.00000
      7      12.5982      0.00000
      8      12.9149      0.00000
      9      17.4670      0.00000
     10      17.6011      0.00000
     11      18.1348      0.00000
     12      18.5616      0.00000
     13      20.1540      0.00000
     14      22.1645      0.00000
     15      23.2805      0.00000
     16      24.9473      0.00000

 k-point    94 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8241      2.00000
      2      -0.6246      2.00000
      3       2.1603      2.00000
      4       3.9491      2.00000
      5       7.6799      0.00000
      6      11.0591      0.00000
      7      12.3643      0.00000
      8      12.6497      0.00000
      9      15.7885      0.00000
     10      16.1128      0.00000
     11      19.5144      0.00000
     12      19.5492      0.00000
     13      20.4610      0.00000
     14      24.0427      0.00000
     15      24.3701      0.00000
     16      24.7760      0.00000

 k-point    95 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8659      2.00000
      2      -0.5539      2.00000
      3       1.8527      2.00000
      4       4.2362      2.00000
      5       7.9923      0.00000
      6      11.9901      0.00000
      7      12.2408      0.00000
      8      13.1994      0.00000
      9      14.0176      0.00000
     10      14.3514      0.00000
     11      19.4328      0.00000
     12      21.5340      0.00000
     13      21.8252      0.00000
     14      22.5611      0.00000
     15      23.3176      0.00000
     16      24.3787      0.00000

 k-point    96 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5276      2.00000
      2       0.2388      2.00000
      3       2.0116      2.00000
      4       4.6555      2.00000
      5       8.4724      0.00000
      6      11.4781      0.00000
      7      11.8630      0.00000
      8      12.7889      0.00000
      9      13.0210      0.00000
     10      15.2090      0.00000
     11      19.3810      0.00000
     12      20.1226      0.00000
     13      20.9860      0.00000
     14      23.1692      0.00000
     15      23.7142      0.00000
     16      24.1145      0.00000

 k-point    97 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.5537      2.00000
      2       1.8564      2.00000
      3       3.5684      2.00000
      4       4.3445      2.00000
      5       8.0386      0.00000
      6       9.5348      0.00000
      7      11.4498      0.00000
      8      12.2652      0.00000
      9      14.8338      0.00000
     10      16.6177      0.00000
     11      17.9178      0.00000
     12      18.8549      0.00000
     13      20.2695      0.00000
     14      21.7715      0.00000
     15      21.9260      0.00000
     16      24.1626      0.00000

 k-point    98 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.9127      2.00000
      2       0.7411      2.00000
      3       2.9629      2.00000
      4       4.0062      2.00000
      5       8.4097      0.00000
      6       9.9919      0.00000
      7      11.1548      0.00000
      8      12.6545      0.00000
      9      15.6551      0.00000
     10      17.2240      0.00000
     11      18.5785      0.00000
     12      18.9012      0.00000
     13      20.5316      0.00000
     14      21.1790      0.00000
     15      22.8336      0.00000
     16      24.7121      0.00000

 k-point    99 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.2072      2.00000
      2      -0.3132      2.00000
      3       2.5568      2.00000
      4       3.8416      2.00000
      5       8.5536      0.00000
      6      10.6643      0.00000
      7      11.5077      0.00000
      8      12.6079      0.00000
      9      15.5684      0.00000
     10      16.9880      0.00000
     11      18.0498      0.00000
     12      19.3524      0.00000
     13      20.5555      0.00000
     14      22.8315      0.00000
     15      24.4919      0.00000
     16      25.0171      0.00000

 k-point   100 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9187      2.00000
      2      -0.6873      2.00000
      3       2.3153      2.00000
      4       3.9323      2.00000
      5       8.7934      0.00000
      6      10.4040      0.00000
      7      12.4741      0.00000
      8      13.2315      0.00000
      9      13.7566      0.00000
     10      16.2849      0.00000
     11      18.4991      0.00000
     12      19.4030      0.00000
     13      22.4220      0.00000
     14      22.8292      0.00000
     15      23.7655      0.00000
     16      24.7678      0.00000

 k-point   101 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.4505      2.00000
      2       0.0372      2.00000
      3       2.3003      2.00000
      4       4.2386      2.00000
      5       9.1892      0.00000
      6      10.1852      0.00000
      7      11.9781      0.00000
      8      12.3866      0.00000
      9      14.7495      0.00000
     10      15.2979      0.00000
     11      18.7172      0.00000
     12      20.8472      0.00000
     13      20.9302      0.00000
     14      21.4875      0.00000
     15      24.2120      0.00000
     16      24.3473      0.00000

 k-point   102 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.1556      2.00000
      2       1.0595      2.00000
      3       2.6895      2.00000
      4       4.6755      2.00000
      5       9.6725      0.00000
      6       9.7438      0.00000
      7      10.9970      0.00000
      8      11.9445      0.00000
      9      13.8322      0.00000
     10      16.9845      0.00000
     11      18.6601      0.00000
     12      18.7835      0.00000
     13      19.9684      0.00000
     14      22.3119      0.00000
     15      22.5884      0.00000
     16      25.5067      0.00000

 k-point   103 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.7415      2.00000
      2      -0.4981      2.00000
      3       1.7103      2.00000
      4       3.8111      2.00000
      5       8.5581      0.00000
      6      11.2258      0.00000
      7      12.0139      0.00000
      8      13.1082      0.00000
      9      14.1056      0.00000
     10      15.3344      0.00000
     11      20.5338      0.00000
     12      21.1512      0.00000
     13      21.2405      0.00000
     14      23.2928      0.00000
     15      23.2939      0.00000
     16      24.1541      0.00000

 k-point   104 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.3557      2.00000
      2      -0.9072      2.00000
      3       1.8393      2.00000
      4       3.4644      2.00000
      5       8.1743      0.00000
      6      10.9286      0.00000
      7      11.9473      0.00000
      8      13.5570      0.00000
      9      14.6033      0.00000
     10      16.7389      0.00000
     11      19.7259      0.00000
     12      20.7820      0.00000
     13      22.2318      0.00000
     14      22.5948      0.00000
     15      23.7790      0.00000
     16      24.7407      0.00000

 k-point   105 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.8684      2.00000
      2      -0.3791      2.00000
      3       2.4169      2.00000
      4       3.3226      2.00000
      5       7.9639      0.00000
      6       9.3339      0.00000
      7      12.2274      0.00000
      8      14.7158      0.00000
      9      15.5448      0.00000
     10      17.7607      0.00000
     11      18.7520      0.00000
     12      20.3517      0.00000
     13      21.0428      0.00000
     14      21.8491      0.00000
     15      23.5118      0.00000
     16      24.3259      0.00000

 k-point   106 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.5779      2.00000
      2       0.4617      2.00000
      3       3.1225      2.00000
      4       3.4875      2.00000
      5       7.6385      0.00000
      6       8.4559      0.00000
      7      12.5980      0.00000
      8      14.3272      0.00000
      9      16.6902      0.00000
     10      17.5734      0.00000
     11      18.3005      0.00000
     12      19.8520      0.00000
     13      20.7117      0.00000
     14      21.3687      0.00000
     15      22.7156      0.00000
     16      23.4647      0.00000

 k-point   107 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -1.9222      2.00000
      2      -1.1838      2.00000
      3       1.9152      2.00000
      4       2.6853      2.00000
      5       9.5657      0.00000
      6      10.7982      0.00000
      7      11.5696      0.00000
      8      11.6817      0.00000
      9      16.2095      0.00000
     10      17.3590      0.00000
     11      19.3913      0.00000
     12      20.6156      0.00000
     13      22.1479      0.00000
     14      23.3259      0.00000
     15      24.7096      0.00000
     16      24.8234      0.00000

 k-point   108 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.1605      2.00000
      2      -1.0089      2.00000
      3       2.2579      2.00000
      4       2.6236      2.00000
      5       9.2390      0.00000
      6       9.4285      0.00000
      7      11.8030      0.00000
      8      13.4090      0.00000
      9      16.2100      0.00000
     10      17.6765      0.00000
     11      19.1420      0.00000
     12      20.5106      0.00000
     13      22.1666      0.00000
     14      22.8643      0.00000
     15      23.4537      0.00000
     16      24.8074      0.00000

 k-point   109 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.6931      2.00000
      2       0.5862      2.00000
      3       3.5975      2.00000
      4       3.6140      2.00000
      5       6.8439      0.00000
      6       7.8270      0.00000
      7      14.0755      0.00000
      8      14.3823      0.00000
      9      16.5777      0.00000
     10      17.1925      0.00000
     11      19.4934      0.00000
     12      19.7695      0.00000
     13      20.0421      0.00000
     14      21.9037      0.00000
     15      22.1689      0.00000
     16      23.2068      0.00000

 k-point   110 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.0510      2.00000
      2      -0.2497      2.00000
      3       3.0308      2.00000
      4       3.4995      2.00000
      5       7.0477      0.00000
      6       7.8794      0.00000
      7      14.4039      0.00000
      8      14.7407      0.00000
      9      17.7630      0.00000
     10      17.9837      0.00000
     11      18.3033      0.00000
     12      18.7224      0.00000
     13      21.0901      0.00000
     14      21.6216      0.00000
     15      22.1794      0.00000
     16      24.3272      0.00000

 k-point   111 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3437      2.00000
      2      -0.9853      2.00000
      3       2.1908      2.00000
      4       3.5773      2.00000
      5       7.2126      0.00000
      6       9.1390      0.00000
      7      14.1584      0.00000
      8      14.5566      0.00000
      9      16.0135      0.00000
     10      16.3872      0.00000
     11      19.6764      0.00000
     12      20.4630      0.00000
     13      21.6797      0.00000
     14      21.8737      0.00000
     15      22.6734      0.00000
     16      24.5910      0.00000

 k-point   112 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.2498      2.00000
      2      -1.0300      2.00000
      3       1.6617      2.00000
      4       3.8320      2.00000
      5       7.5066      0.00000
      6      10.9145      0.00000
      7      13.5356      0.00000
      8      14.1356      0.00000
      9      14.3653      0.00000
     10      14.6976      0.00000
     11      21.2565      0.00000
     12      21.5698      0.00000
     13      22.0703      0.00000
     14      22.0810      0.00000
     15      22.3383      0.00000
     16      24.1678      0.00000

 k-point   113 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.5759      2.00000
      2       0.4508      2.00000
      3       3.0855      2.00000
      4       3.5019      2.00000
      5       7.6661      0.00000
      6       8.4814      0.00000
      7      12.9075      0.00000
      8      14.0362      0.00000
      9      16.4446      0.00000
     10      17.8733      0.00000
     11      18.5920      0.00000
     12      19.5745      0.00000
     13      20.5360      0.00000
     14      21.1395      0.00000
     15      22.7051      0.00000
     16      23.3401      0.00000

 k-point   114 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.8671      2.00000
      2      -0.3940      2.00000
      3       2.3945      2.00000
      4       3.3070      2.00000
      5       8.0182      0.00000
      6       9.3750      0.00000
      7      12.5418      0.00000
      8      14.4142      0.00000
      9      15.8825      0.00000
     10      17.5088      0.00000
     11      18.3897      0.00000
     12      20.5827      0.00000
     13      20.9302      0.00000
     14      21.5112      0.00000
     15      23.6369      0.00000
     16      24.2121      0.00000

 k-point   115 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.3640      2.00000
      2      -0.9179      2.00000
      3       1.8348      2.00000
      4       3.4239      2.00000
      5       8.2547      0.00000
      6      10.9972      0.00000
      7      12.2229      0.00000
      8      13.8552      0.00000
      9      14.3261      0.00000
     10      16.4023      0.00000
     11      19.4634      0.00000
     12      20.6506      0.00000
     13      22.1106      0.00000
     14      22.7058      0.00000
     15      23.6865      0.00000
     16      24.9795      0.00000

 k-point   116 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.7596      2.00000
      2      -0.5057      2.00000
      3       1.7207      2.00000
      4       3.7578      2.00000
      5       8.6568      0.00000
      6      11.4883      0.00000
      7      12.2850      0.00000
      8      13.1106      0.00000
      9      13.8920      0.00000
     10      15.0401      0.00000
     11      20.4969      0.00000
     12      20.9452      0.00000
     13      21.0293      0.00000
     14      23.0725      0.00000
     15      23.3250      0.00000
     16      24.4571      0.00000

 k-point   117 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.2430      2.00000
      2       0.0457      2.00000
      3       2.2703      2.00000
      4       3.4965      2.00000
      5       9.4141      0.00000
      6       9.9823      0.00000
      7      10.8081      0.00000
      8      13.9104      0.00000
      9      15.5145      0.00000
     10      15.8268      0.00000
     11      19.8577      0.00000
     12      20.5611      0.00000
     13      20.5893      0.00000
     14      21.0628      0.00000
     15      23.1670      0.00000
     16      24.6495      0.00000

 k-point   118 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.5779      2.00000
      2      -0.6817      2.00000
      3       1.9715      2.00000
      4       3.1580      2.00000
      5       9.7612      0.00000
      6      10.2290      0.00000
      7      11.5199      0.00000
      8      13.4456      0.00000
      9      14.3894      0.00000
     10      16.9634      0.00000
     11      18.8991      0.00000
     12      20.3426      0.00000
     13      21.8729      0.00000
     14      23.1193      0.00000
     15      23.4163      0.00000
     16      25.3343      0.00000

 k-point   119 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.8267      2.00000
      2      -1.4567      2.00000
      3       2.1889      2.00000
      4       3.1207      2.00000
      5       7.8215      0.00000
      6       9.1318      0.00000
      7      13.6778      0.00000
      8      13.9083      0.00000
      9      16.3131      0.00000
     10      16.9882      0.00000
     11      19.6917      0.00000
     12      20.5125      0.00000
     13      21.9361      0.00000
     14      22.6852      0.00000
     15      23.1770      0.00000
     16      23.6353      0.00000

 k-point   120 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.3708      2.00000
      2      -0.9931      2.00000
      3       2.9167      2.00000
      4       3.0285      2.00000
      5       7.5521      0.00000
      6       7.8097      0.00000
      7      14.1458      0.00000
      8      15.8049      0.00000
      9      16.2889      0.00000
     10      18.0022      0.00000
     11      18.7332      0.00000
     12      20.2581      0.00000
     13      20.3146      0.00000
     14      21.7758      0.00000
     15      23.0772      0.00000
     16      24.6362      0.00000

 k-point   121 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.4523      2.00000
      2      -1.0068      2.00000
      3       3.3387      2.00000
      4       3.3440      2.00000
      5       6.7859      0.00000
      6       7.0996      0.00000
      7      15.8284      0.00000
      8      16.1766      0.00000
      9      17.7936      0.00000
     10      18.0351      0.00000
     11      18.1689      0.00000
     12      19.0230      0.00000
     13      19.7550      0.00000
     14      20.3569      0.00000
     15      24.2749      0.00000
     16      25.1554      0.00000

 k-point   122 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.7797      2.00000
      2      -1.6716      2.00000
      3       2.8611      2.00000
      4       3.3681      2.00000
      5       6.9634      0.00000
      6       7.5822      0.00000
      7      15.9095      0.00000
      8      16.2038      0.00000
      9      16.5929      0.00000
     10      16.7197      0.00000
     11      19.4947      0.00000
     12      19.6339      0.00000
     13      20.1674      0.00000
     14      20.6689      0.00000
     15      24.3303      0.00000
     16      24.6792      0.00000

 k-point   123 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.3709      2.00000
      2      -0.9972      2.00000
      3       2.8924      2.00000
      4       3.0204      2.00000
      5       7.5818      0.00000
      6       7.8388      0.00000
      7      14.4944      0.00000
      8      15.7992      0.00000
      9      16.3154      0.00000
     10      17.6502      0.00000
     11      18.3973      0.00000
     12      19.9180      0.00000
     13      20.5820      0.00000
     14      22.1714      0.00000
     15      22.9976      0.00000
     16      24.4591      0.00000

 k-point   124 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -1.8328      2.00000
      2      -1.4603      2.00000
      3       2.1754      2.00000
      4       3.0882      2.00000
      5       7.8793      0.00000
      6       9.1742      0.00000
      7      14.0062      0.00000
      8      14.2517      0.00000
      9      15.9866      0.00000
     10      16.6248      0.00000
     11      19.3445      0.00000
     12      20.1671      0.00000
     13      22.2541      0.00000
     14      23.0416      0.00000
     15      23.1661      0.00000
     16      23.5188      0.00000

 k-point   125 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.1650      2.00000
      2      -1.0305      2.00000
      3       2.2184      2.00000
      4       2.6148      2.00000
      5       9.3196      0.00000
      6       9.5107      0.00000
      7      12.1113      0.00000
      8      13.7284      0.00000
      9      15.9006      0.00000
     10      17.3943      0.00000
     11      18.7932      0.00000
     12      20.1414      0.00000
     13      21.9937      0.00000
     14      23.1640      0.00000
     15      23.4008      0.00000
     16      24.7753      0.00000

 k-point   126 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -1.9483      2.00000
      2      -1.2025      2.00000
      3       1.9133      2.00000
      4       2.6507      2.00000
      5       9.6818      0.00000
      6      10.9628      0.00000
      7      11.8576      0.00000
      8      11.8945      0.00000
      9      15.9260      0.00000
     10      17.0347      0.00000
     11      19.1115      0.00000
     12      20.3241      0.00000
     13      22.0090      0.00000
     14      23.0633      0.00000
     15      24.7165      0.00000
     16      24.9854      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.370  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.174  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.174  -0.000   0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.174   0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.487  -0.842   0.000   0.000  -0.000   0.000   0.000   0.000
 -0.842   0.863  -0.000   0.000   0.000   0.000  -0.000   0.000
  0.000  -0.000   1.057  -0.000   0.000  -0.595   0.000  -0.000
 -0.000   0.000  -0.000   1.057   0.000   0.000  -0.604  -0.000
  0.000   0.000   0.000   0.000   1.057  -0.000  -0.000  -0.604
  0.000   0.000  -0.595   0.000  -0.000   0.396  -0.000   0.000
  0.000  -0.000   0.000  -0.604  -0.000  -0.000   0.406   0.000
  0.000   0.000  -0.000  -0.000  -0.604   0.000   0.000   0.406


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0200: real time    0.0207
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0100: real time    0.0092
    STRESS:  cpu time    0.1320: real time    0.1320
    FORCOR:  cpu time    0.0040: real time    0.0040
    FORHAR:  cpu time    0.0010: real time    0.0008
    MIXING:  cpu time    0.0000: real time    0.0003
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.49322     3.49322     3.49322
  Ewald     -76.61811   -78.22213   -76.61811     0.00000    -0.00000    -0.00000
  Hartree     4.91107     4.64579     4.91107     0.00000     0.00000     0.00000
  E(xc)     -25.59635   -25.59246   -25.59635    -0.00000    -0.00000    -0.00000
  Local     -29.37502   -27.41165   -29.37502     0.00001     0.00001     0.00001
  n-local    78.27385    78.45002    79.13503    -1.40277     1.48835     1.37709
  augment   -11.67224   -11.67147   -11.67224    -0.00001    -0.00001    -0.00001
  Kinetic    55.83839    57.95391    59.07259    -1.04003     2.33452     1.81766
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.30250     1.64524     1.30250    -0.00000     0.00000     0.00000
  in kB      54.13798    68.38365    54.13798    -0.00000     0.00000     0.00000
  external pressure =       58.89 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       38.55
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.654259800  0.000000000     0.185550789  0.188376435 -0.185550789
     0.000000000  2.654259800  2.694680000    -0.185550789  0.188376435  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.188376435  0.185550789

  length of vectors
     3.782379593  3.782379593  3.810853002     0.323023021  0.323023021  0.323023021


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.112E-06 0.115E-06 0.112E-06   0.144E-14 -.788E-14 -.220E-14   -.319E-16 -.105E-16 -.413E-17   -.268E-08 -.110E-07 -.268E-08
   -.112E-06 -.115E-06 -.112E-06   -.112E-14 0.760E-14 0.188E-14   0.167E-16 -.247E-17 0.278E-17   0.268E-08 0.110E-07 0.268E-08
 -----------------------------------------------------------------------------------------------
   0.105E-13 0.310E-13 -.408E-13   0.318E-15 -.285E-15 -.314E-15   -.152E-16 -.130E-16 -.135E-17   -.789E-15 -.823E-15 0.433E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      1.34734      1.32713      1.34734        -0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.80466004 eV

  energy  without entropy=      -10.80466004  energy(sigma->0) =      -10.80466004
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.3103418E-01 0.310E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.2303460E+01-0.230E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0056


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   2/  7
  Displacement:        2/  2
  Total:               4/ 14
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     3.8108530023
 C/A-ratio  =     1.4354267658
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   2.6946800000,  -2.7351002000)
 A2 = (   0.0000000000,  -2.6946800000,  -2.7351002000)
 A3 = (  -2.6946800000,   0.0000000000,   2.7351002000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000    90.000000    -0.000000    -0.000000     1.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000    -0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000    -0.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.707107    -0.707107    -0.000000     0.000000     0.000000     0.000000
    6     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
    8     1.000000   180.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
    9    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000     0.250000    -0.750000
   10     1.000000    90.000000    -0.000000    -0.000000     1.000000     0.250000     0.250000    -0.750000
   11    -1.000000   180.000000    -0.000000     0.000000     1.000000     0.250000     0.250000    -0.750000
   12     1.000000    90.000000    -0.000000    -0.000000    -1.000000     0.250000     0.250000    -0.750000
   13     1.000000   180.000000     0.707107    -0.707107    -0.000000     0.250000     0.250000    -0.750000
   14    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000     0.250000    -0.750000
   15     1.000000   180.000000     0.707107     0.707107     0.000000     0.250000     0.250000    -0.750000
   16    -1.000000   180.000000     0.000000    -1.000000     0.000000     0.250000     0.250000    -0.750000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    126 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909  0.000000  0.000000      8.000000
  0.181818  0.000000  0.000000      8.000000
  0.272727  0.000000  0.000000      8.000000
  0.363636  0.000000  0.000000      8.000000
  0.454545 -0.000000  0.000000      8.000000
  0.090909  0.090909  0.000000      4.000000
  0.181818  0.090909 -0.000000     16.000000
  0.272727  0.090909  0.000000     16.000000
  0.363636  0.090909 -0.000000     16.000000
  0.454545  0.090909  0.000000     16.000000
 -0.454545  0.090909 -0.000000     16.000000
 -0.363636  0.090909 -0.000000     16.000000
 -0.272727  0.090909 -0.000000     16.000000
 -0.181818  0.090909 -0.000000     16.000000
 -0.090909  0.090909 -0.000000      8.000000
  0.181818  0.181818  0.000000      4.000000
  0.272727  0.181818  0.000000     16.000000
  0.363636  0.181818 -0.000000     16.000000
  0.454545  0.181818 -0.000000     16.000000
 -0.454545  0.181818 -0.000000     16.000000
 -0.363636  0.181818 -0.000000     16.000000
 -0.272727  0.181818 -0.000000     16.000000
 -0.181818  0.181818 -0.000000      8.000000
  0.272727  0.272727 -0.000000      4.000000
  0.363636  0.272727  0.000000     16.000000
  0.454545  0.272727  0.000000     16.000000
 -0.454545  0.272727 -0.000000     16.000000
 -0.363636  0.272727 -0.000000     16.000000
 -0.272727  0.272727 -0.000000      8.000000
  0.363636  0.363636  0.000000      4.000000
  0.454545  0.363636  0.000000     16.000000
 -0.454545  0.363636 -0.000000     16.000000
 -0.363636  0.363636 -0.000000      8.000000
  0.454545  0.454545 -0.000000      4.000000
 -0.454545  0.454545  0.000000      8.000000
  0.000000  0.090909  0.090909      2.000000
  0.181818  0.090909  0.090909      4.000000
  0.272727  0.090909  0.090909      8.000000
  0.363636  0.090909  0.090909      8.000000
  0.454545  0.090909  0.090909      8.000000
 -0.454545  0.090909  0.090909      8.000000
 -0.363636  0.090909  0.090909      8.000000
 -0.272727  0.090909  0.090909      8.000000
 -0.181818  0.090909  0.090909      8.000000
 -0.090909  0.090909  0.090909      8.000000
  0.272727  0.181818  0.090909      8.000000
  0.363636  0.181818  0.090909     16.000000
  0.454545  0.181818  0.090909     16.000000
 -0.454545  0.181818  0.090909     16.000000
 -0.363636  0.181818  0.090909     16.000000
 -0.272727  0.181818  0.090909     16.000000
 -0.181818  0.181818  0.090909     16.000000
 -0.090909  0.181818  0.090909      8.000000
  0.181818  0.272727  0.090909      8.000000
  0.363636  0.272727  0.090909      8.000000
  0.454545  0.272727  0.090909     16.000000
 -0.454545  0.272727  0.090909     16.000000
 -0.363636  0.272727  0.090909     16.000000
 -0.272727  0.272727  0.090909     16.000000
 -0.181818  0.272727  0.090909      8.000000
  0.181818  0.363636  0.090909     16.000000
  0.272727  0.363636  0.090909      8.000000
  0.454545  0.363636  0.090909      8.000000
 -0.454545  0.363636  0.090909     16.000000
 -0.363636  0.363636  0.090909     16.000000
 -0.272727  0.363636  0.090909      8.000000
  0.181818  0.454545  0.090909     16.000000
  0.272727  0.454545  0.090909     16.000000
  0.363636  0.454545  0.090909      8.000000
 -0.454545  0.454545  0.090909      8.000000
 -0.363636  0.454545  0.090909      8.000000
  0.181818 -0.454545  0.090909     16.000000
  0.272727 -0.454545  0.090909     16.000000
  0.363636 -0.454545  0.090909     16.000000
  0.454545 -0.454545  0.090909      8.000000
  0.272727 -0.363636  0.090909     16.000000
  0.363636 -0.363636  0.090909     16.000000
  0.454545 -0.363636  0.090909      8.000000
  0.272727 -0.272727  0.090909     16.000000
  0.363636 -0.272727  0.090909      8.000000
  0.272727 -0.181818  0.090909      8.000000
  0.000000  0.181818  0.181818      2.000000
  0.363636  0.181818  0.181818      4.000000
  0.454545  0.181818  0.181818      8.000000
 -0.454545  0.181818  0.181818      8.000000
 -0.363636  0.181818  0.181818      8.000000
 -0.272727  0.181818  0.181818      8.000000
 -0.181818  0.181818  0.181818      8.000000
 -0.090909  0.181818  0.181818      8.000000
  0.454545  0.272727  0.181818      8.000000
 -0.454545  0.272727  0.181818     16.000000
 -0.363636  0.272727  0.181818     16.000000
 -0.272727  0.272727  0.181818     16.000000
 -0.181818  0.272727  0.181818     16.000000
 -0.090909  0.272727  0.181818      8.000000
 -0.454545  0.363636  0.181818      8.000000
 -0.363636  0.363636  0.181818     16.000000
 -0.272727  0.363636  0.181818     16.000000
 -0.181818  0.363636  0.181818      8.000000
 -0.363636  0.454545  0.181818      8.000000
 -0.272727  0.454545  0.181818      8.000000
  0.363636 -0.454545  0.181818      8.000000
  0.363636 -0.363636  0.181818     16.000000
  0.454545 -0.363636  0.181818      8.000000
  0.454545 -0.272727  0.181818      8.000000
  0.000000  0.272727  0.272727      2.000000
 -0.454545  0.272727  0.272727      4.000000
 -0.363636  0.272727  0.272727      8.000000
 -0.272727  0.272727  0.272727      8.000000
 -0.181818  0.272727  0.272727      8.000000
 -0.090909  0.272727  0.272727      8.000000
 -0.363636  0.363636  0.272727      8.000000
 -0.272727  0.363636  0.272727     16.000000
 -0.181818  0.363636  0.272727     16.000000
 -0.090909  0.363636  0.272727      8.000000
 -0.272727  0.454545  0.272727      8.000000
 -0.181818  0.454545  0.272727      8.000000
  0.000000  0.363636  0.363636      2.000000
 -0.272727  0.363636  0.363636      4.000000
 -0.181818  0.363636  0.363636      8.000000
 -0.090909  0.363636  0.363636      8.000000
 -0.181818  0.454545  0.363636      8.000000
 -0.090909  0.454545  0.363636      8.000000
  0.000000  0.454545  0.454545      2.000000
 -0.090909  0.454545  0.454545      4.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016868  0.016868 -0.016619      8.000000
  0.033737  0.033737 -0.033238      8.000000
  0.050605  0.050605 -0.049857      8.000000
  0.067473  0.067473 -0.066476      8.000000
  0.084341  0.084341 -0.083095      8.000000
  0.000000  0.033737  0.000000      4.000000
  0.016868  0.050605 -0.016619     16.000000
  0.033737  0.067473 -0.033238     16.000000
  0.050605  0.084341 -0.049857     16.000000
  0.067473  0.101210 -0.066476     16.000000
 -0.101210 -0.067473  0.099714     16.000000
 -0.084341 -0.050605  0.083095     16.000000
 -0.067473 -0.033737  0.066476     16.000000
 -0.050605 -0.016868  0.049857     16.000000
 -0.033737  0.000000  0.033238      8.000000
  0.000000  0.067473  0.000000      4.000000
  0.016868  0.084341 -0.016619     16.000000
  0.033737  0.101210 -0.033238     16.000000
  0.050605  0.118078 -0.049857     16.000000
 -0.118078 -0.050605  0.116333     16.000000
 -0.101210 -0.033737  0.099714     16.000000
 -0.084341 -0.016868  0.083095     16.000000
 -0.067473  0.000000  0.066476      8.000000
  0.000000  0.101210  0.000000      4.000000
  0.016868  0.118078 -0.016619     16.000000
  0.033737  0.134946 -0.033238     16.000000
 -0.134946 -0.033737  0.132952     16.000000
 -0.118078 -0.016868  0.116333     16.000000
 -0.101210 -0.000000  0.099714      8.000000
  0.000000  0.134946  0.000000      4.000000
  0.016868  0.151814 -0.016619     16.000000
 -0.151814 -0.016868  0.149571     16.000000
 -0.134946  0.000000  0.132952      8.000000
  0.000000  0.168683  0.000000      4.000000
 -0.168683 -0.000000  0.166190      8.000000
  0.000000 -0.000000  0.033238      2.000000
  0.033737  0.033737  0.000000      4.000000
  0.050605  0.050605 -0.016619      8.000000
  0.067473  0.067473 -0.033238      8.000000
  0.084341  0.084341 -0.049857      8.000000
 -0.084341 -0.084341  0.116333      8.000000
 -0.067473 -0.067473  0.099714      8.000000
 -0.050605 -0.050605  0.083095      8.000000
 -0.033737 -0.033737  0.066476      8.000000
 -0.016868 -0.016868  0.049857      8.000000
  0.033737  0.067473  0.000000      8.000000
  0.050605  0.084341 -0.016619     16.000000
  0.067473  0.101210 -0.033238     16.000000
 -0.101210 -0.067473  0.132952     16.000000
 -0.084341 -0.050605  0.116333     16.000000
 -0.067473 -0.033737  0.099714     16.000000
 -0.050605 -0.016868  0.083095     16.000000
 -0.033737  0.000000  0.066476      8.000000
 -0.000000  0.067473  0.033238      8.000000
  0.033737  0.101210  0.000000      8.000000
  0.050605  0.118078 -0.016619     16.000000
 -0.118078 -0.050605  0.149571     16.000000
 -0.101210 -0.033737  0.132952     16.000000
 -0.084341 -0.016868  0.116333     16.000000
 -0.067473  0.000000  0.099714      8.000000
 -0.016868  0.084341  0.049857     16.000000
  0.000000  0.101210  0.033238      8.000000
  0.033737  0.134946 -0.000000      8.000000
 -0.134946 -0.033737  0.166190     16.000000
 -0.118078 -0.016868  0.149571     16.000000
 -0.101210  0.000000  0.132952      8.000000
 -0.033737  0.101210  0.066476     16.000000
 -0.016868  0.118078  0.049857     16.000000
 -0.000000  0.134946  0.033238      8.000000
 -0.151814 -0.016868  0.182809      8.000000
 -0.134946  0.000000  0.166190      8.000000
  0.134946 -0.067473 -0.099714     16.000000
  0.151814 -0.050605 -0.116333     16.000000
  0.168683 -0.033737 -0.132952     16.000000
  0.185551 -0.016868 -0.149571      8.000000
  0.134946 -0.033737 -0.099714     16.000000
  0.151814 -0.016868 -0.116333     16.000000
  0.168683  0.000000 -0.132952      8.000000
  0.118078 -0.016868 -0.083095     16.000000
  0.134946  0.000000 -0.099714      8.000000
  0.101210  0.000000 -0.066476      8.000000
  0.000000 -0.000000  0.066476      2.000000
  0.067473  0.067473  0.000000      4.000000
  0.084341  0.084341 -0.016619      8.000000
 -0.084341 -0.084341  0.149571      8.000000
 -0.067473 -0.067473  0.132952      8.000000
 -0.050605 -0.050605  0.116333      8.000000
 -0.033737 -0.033737  0.099714      8.000000
 -0.016868 -0.016868  0.083095      8.000000
  0.067473  0.101210  0.000000      8.000000
 -0.101210 -0.067473  0.166190     16.000000
 -0.084341 -0.050605  0.149571     16.000000
 -0.067473 -0.033737  0.132952     16.000000
 -0.050605 -0.016868  0.116333     16.000000
 -0.033737 -0.000000  0.099714      8.000000
 -0.118078 -0.050605  0.182809      8.000000
 -0.101210 -0.033737  0.166190     16.000000
 -0.084341 -0.016868  0.149571     16.000000
 -0.067473  0.000000  0.132952      8.000000
 -0.118078 -0.016868  0.182809      8.000000
 -0.101210 -0.000000  0.166190      8.000000
  0.185551 -0.050605 -0.116333      8.000000
  0.168683 -0.033737 -0.099714     16.000000
  0.185551 -0.016868 -0.116333      8.000000
  0.168683  0.000000 -0.099714      8.000000
  0.000000  0.000000  0.099714      2.000000
 -0.084341 -0.084341  0.182809      4.000000
 -0.067473 -0.067473  0.166190      8.000000
 -0.050605 -0.050605  0.149571      8.000000
 -0.033737 -0.033737  0.132952      8.000000
 -0.016868 -0.016868  0.116333      8.000000
 -0.084341 -0.050605  0.182809      8.000000
 -0.067473 -0.033737  0.166190     16.000000
 -0.050605 -0.016868  0.149571     16.000000
 -0.033737 -0.000000  0.132952      8.000000
 -0.084341 -0.016868  0.182809      8.000000
 -0.067473  0.000000  0.166190      8.000000
  0.000000 -0.000000  0.132952      2.000000
 -0.050605 -0.050605  0.182809      4.000000
 -0.033737 -0.033737  0.166190      8.000000
 -0.016868 -0.016868  0.149571      8.000000
 -0.050605 -0.016868  0.182809      8.000000
 -0.033737  0.000000  0.166190      8.000000
  0.000000 -0.000000  0.166190      2.000000
 -0.016868 -0.016868  0.182809      4.000000
 
    WAVPRE:  cpu time    0.0760: real time    0.0826
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0200: real time    0.0203
    ORTHCH:  cpu time    0.1120: real time    0.1124
     LOOP+:  cpu time    3.4975: real time    3.5119


--------------------------------------- Iteration      6(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0116
    SETDIJ:  cpu time    0.0020: real time    0.0016
    EDDIAG:  cpu time    0.2100: real time    0.2099
  RMM-DIIS:  cpu time    0.1790: real time    0.1789
    ORTHCH:  cpu time    0.1090: real time    0.1094
       DOS:  cpu time    0.0010: real time    0.0012
    CHARGE:  cpu time    0.0220: real time    0.0211
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5289: real time    0.5339

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.3552974E-01  (-0.1270916E-01)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4616721 magnetization 

 Broyden mixing:
  rms(total) = 0.28206E-01    rms(broyden)= 0.28203E-01
  rms(prec ) = 0.10224E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.32386656
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.93527374
  PAW double counting   =        75.62664689      -40.69960564
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.12546203
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84019036 eV

  energy without entropy =      -10.84019036  energy(sigma->0) =      -10.84019036


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2080: real time    0.2074
  RMM-DIIS:  cpu time    0.1760: real time    0.1765
    ORTHCH:  cpu time    0.1090: real time    0.1090
       DOS:  cpu time    0.0010: real time    0.0013
    CHARGE:  cpu time    0.0210: real time    0.0207
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5199: real time    0.5205

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3057630E-02  (-0.7630276E-04)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4608026 magnetization 

 Broyden mixing:
  rms(total) = 0.16453E-01    rms(broyden)= 0.16453E-01
  rms(prec ) = 0.59153E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3260
  2.3260

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.54033825
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92828185
  PAW double counting   =        75.31555348      -40.38082293
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.33031016
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83713273 eV

  energy without entropy =      -10.83713273  energy(sigma->0) =      -10.83713273


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2056
  RMM-DIIS:  cpu time    0.1760: real time    0.1758
    ORTHCH:  cpu time    0.1090: real time    0.1089
       DOS:  cpu time    0.0010: real time    0.0012
    CHARGE:  cpu time    0.0210: real time    0.0207
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5179: real time    0.5179

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.1459693E-02  (-0.1337453E-03)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4591271 magnetization 

 Broyden mixing:
  rms(total) = 0.21933E-02    rms(broyden)= 0.21932E-02
  rms(prec ) = 0.50461E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0901
  2.0901  2.0901

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82818033
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92241118
  PAW double counting   =        74.76264072      -39.81411324
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.59994433
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83567304 eV

  energy without entropy =      -10.83567304  energy(sigma->0) =      -10.83567304


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2048
  RMM-DIIS:  cpu time    0.1760: real time    0.1758
    ORTHCH:  cpu time    0.1090: real time    0.1083
       DOS:  cpu time    0.0010: real time    0.0012
    CHARGE:  cpu time    0.0210: real time    0.0208
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5169: real time    0.5166

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.9890997E-05  (-0.1748033E-05)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4591030 magnetization 

 Broyden mixing:
  rms(total) = 0.66913E-03    rms(broyden)= 0.66910E-03
  rms(prec ) = 0.17578E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9915
  1.0296  2.7067  2.2383

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.81579647
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92561998
  PAW double counting   =        74.64172332      -39.68846012
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.58602367
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83568293 eV

  energy without entropy =      -10.83568293  energy(sigma->0) =      -10.83568293


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2037
  RMM-DIIS:  cpu time    0.1760: real time    0.1758
    ORTHCH:  cpu time    0.1080: real time    0.1085
       DOS:  cpu time    0.0010: real time    0.0012
    CHARGE:  cpu time    0.0210: real time    0.0208
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5149: real time    0.5157

 eigenvalue-minimisations  :  3956
 total energy-change (2. order) :-0.1135866E-04  (-0.2423011E-06)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4590651 magnetization 

 Broyden mixing:
  rms(total) = 0.10268E-03    rms(broyden)= 0.10267E-03
  rms(prec ) = 0.26783E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0015
  1.0012  2.7318  2.1364  2.1364

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82013432
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92643971
  PAW double counting   =        74.59092093      -39.63561768
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.58912984
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569429 eV

  energy without entropy =      -10.83569429  energy(sigma->0) =      -10.83569429


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2060: real time    0.2061
  RMM-DIIS:  cpu time    0.1560: real time    0.1559
    ORTHCH:  cpu time    0.1090: real time    0.1086
       DOS:  cpu time    0.0010: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    0.4779: real time    0.4773

 eigenvalue-minimisations  :  2771
 total energy-change (2. order) :-0.3336829E-06  (-0.1596781E-07)
 number of electron       7.9999998 magnetization 
 augmentation part       -0.4590651 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.38997258
  Ewald energy   TEWEN  =      -229.15478007
  -Hartree energ DENC   =       -14.82132166
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.92612663
  PAW double counting   =        74.60564767      -39.65065852
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         6.59031788
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83569462 eV

  energy without entropy =      -10.83569462  energy(sigma->0) =      -10.83569462


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -83.1579       2 -83.1579
 
 
 
 E-fermi :   5.9845     XC(G=0):  -9.4410     alpha+bet :-12.0766


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1051      2.00000
      2       5.8373      2.00000
      3       5.9447      2.00000
      4       5.9447      2.00000
      5       8.4626      0.00000
      6       8.4626      0.00000
      7       8.5162      0.00000
      8       9.3714      0.00000
      9      13.5079      0.00000
     10      13.7815      0.00000
     11      13.9002      0.00000
     12      16.9125      0.00000
     13      17.3343      0.00000
     14      17.3343      0.00000
     15      21.3744      0.00000
     16      29.3959      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9961      2.00000
      2       4.9205      2.00000
      3       5.7024      2.00000
      4       5.7793      2.00000
      5       8.5183      0.00000
      6       8.7126      0.00000
      7       8.7507      0.00000
      8      10.1335      0.00000
      9      13.2079      0.00000
     10      13.4487      0.00000
     11      14.3555      0.00000
     12      16.8042      0.00000
     13      17.7294      0.00000
     14      18.0136      0.00000
     15      22.0876      0.00000
     16      28.1483      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6731      2.00000
      2       3.2360      2.00000
      3       5.3484      2.00000
      4       5.4446      2.00000
      5       8.2259      0.00000
      6       9.2019      0.00000
      7       9.2102      0.00000
      8      11.7066      0.00000
      9      12.8954      0.00000
     10      13.0503      0.00000
     11      15.0885      0.00000
     12      16.7031      0.00000
     13      19.1953      0.00000
     14      19.5272      0.00000
     15      23.6051      0.00000
     16      25.5229      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.1527      2.00000
      2       1.5647      2.00000
      3       5.0124      2.00000
      4       5.1290      2.00000
      5       7.8821      0.00000
      6       9.4236      0.00000
      7       9.4769      0.00000
      8      13.1972      0.00000
      9      13.2831      0.00000
     10      13.3038      0.00000
     11      14.8719      0.00000
     12      18.2994      0.00000
     13      20.7968      0.00000
     14      21.0113      0.00000
     15      23.4141      0.00000
     16      23.4615      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4856      2.00000
      2       0.0964      2.00000
      3       4.7711      2.00000
      4       4.9046      2.00000
      5       7.6217      0.00000
      6       9.3352      0.00000
      7       9.4294      0.00000
      8      13.8283      0.00000
      9      14.3034      0.00000
     10      14.3628      0.00000
     11      15.5057      0.00000
     12      19.8900      0.00000
     13      19.9672      0.00000
     14      20.1230      0.00000
     15      22.6475      0.00000
     16      24.1398      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.8667      2.00000
      2      -0.9306      2.00000
      3       4.6478      2.00000
      4       4.7908      2.00000
      5       7.4861      0.00000
      6       9.2171      0.00000
      7       9.3226      0.00000
      8      13.6783      0.00000
      9      15.8179      0.00000
     10      15.9423      0.00000
     11      16.9618      0.00000
     12      17.8870      0.00000
     13      18.0520      0.00000
     14      19.4108      0.00000
     15      24.2865      0.00000
     16      26.4016      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9583      2.00000
      2       5.1466      2.00000
      3       5.3498      2.00000
      4       5.4292      2.00000
      5       8.1330      0.00000
      6       9.1195      0.00000
      7       9.2142      0.00000
      8      10.0864      0.00000
      9      12.8533      0.00000
     10      13.7392      0.00000
     11      14.5182      0.00000
     12      17.1803      0.00000
     13      17.5850      0.00000
     14      17.8745      0.00000
     15      22.4525      0.00000
     16      27.3964      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.7046      2.00000
      2       3.7478      2.00000
      3       4.9810      2.00000
      4       5.2153      2.00000
      5       8.1633      0.00000
      6       9.2513      0.00000
      7       9.7670      0.00000
      8      10.9355      0.00000
      9      12.6602      0.00000
     10      13.7050      0.00000
     11      15.3375      0.00000
     12      17.0158      0.00000
     13      18.2201      0.00000
     14      19.2603      0.00000
     15      23.8065      0.00000
     16      25.4325      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.2464      2.00000
      2       2.1064      2.00000
      3       4.6519      2.00000
      4       4.8569      2.00000
      5       8.3019      0.00000
      6       9.2507      0.00000
      7      10.0976      0.00000
      8      11.2793      0.00000
      9      13.7791      0.00000
     10      13.9467      0.00000
     11      15.4925      0.00000
     12      17.8346      0.00000
     13      19.7063      0.00000
     14      21.0384      0.00000
     15      23.0926      0.00000
     16      23.7814      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.6178      2.00000
      2       0.5826      2.00000
      3       4.4232      2.00000
      4       4.5167      2.00000
      5       8.1617      0.00000
      6       9.2843      0.00000
      7      10.0052      0.00000
      8      12.0229      0.00000
      9      14.8199      0.00000
     10      14.8838      0.00000
     11      15.6571      0.00000
     12      19.4813      0.00000
     13      19.7054      0.00000
     14      21.1936      0.00000
     15      22.7867      0.00000
     16      23.3153      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.9404      2.00000
      2      -0.6223      2.00000
      3       4.1646      2.00000
      4       4.4350      2.00000
      5       8.0250      0.00000
      6       9.2355      0.00000
      7       9.7576      0.00000
      8      13.2707      0.00000
      9      14.6945      0.00000
     10      16.3315      0.00000
     11      17.1954      0.00000
     12      17.7742      0.00000
     13      18.6668      0.00000
     14      20.8589      0.00000
     15      23.4775      0.00000
     16      24.9094      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.6700      2.00000
      2      -1.0245      2.00000
      3       3.9898      2.00000
      4       4.5313      2.00000
      5       8.0042      0.00000
      6       9.2807      0.00000
      7       9.5717      0.00000
      8      14.0201      0.00000
      9      15.2294      0.00000
     10      15.6307      0.00000
     11      16.9899      0.00000
     12      18.3487      0.00000
     13      18.6918      0.00000
     14      19.6751      0.00000
     15      24.9591      0.00000
     16      26.0484      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.1638      2.00000
      2      -0.2618      2.00000
      3       3.9513      2.00000
      4       4.7593      2.00000
      5       8.1143      0.00000
      6       9.4622      0.00000
      7       9.5016      0.00000
      8      13.7199      0.00000
      9      13.9640      0.00000
     10      15.1774      0.00000
     11      17.1766      0.00000
     12      17.8255      0.00000
     13      20.3596      0.00000
     14      20.7036      0.00000
     15      22.8020      0.00000
     16      24.2401      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.8509      2.00000
      2       1.0801      2.00000
      3       4.0683      2.00000
      4       5.0881      2.00000
      5       8.3415      0.00000
      6       9.4515      0.00000
      7       9.6735      0.00000
      8      12.6648      0.00000
      9      12.7590      0.00000
     10      15.3464      0.00000
     11      15.5242      0.00000
     12      18.7893      0.00000
     13      20.0637      0.00000
     14      21.9121      0.00000
     15      22.0348      0.00000
     16      23.7792      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.4272      2.00000
      2       2.6422      2.00000
      3       4.3620      2.00000
      4       5.4600      2.00000
      5       8.6445      0.00000
      6       9.1870      0.00000
      7       9.5608      0.00000
      8      11.8379      0.00000
      9      12.2631      0.00000
     10      14.1232      0.00000
     11      15.6777      0.00000
     12      17.3057      0.00000
     13      19.1585      0.00000
     14      20.8066      0.00000
     15      23.0365      0.00000
     16      24.4138      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.8167      2.00000
      2       4.1155      2.00000
      3       4.9319      2.00000
      4       5.7431      2.00000
      5       8.7758      0.00000
      6       8.8726      0.00000
      7       8.9914      0.00000
      8      10.9882      0.00000
      9      12.5744      0.00000
     10      13.5272      0.00000
     11      15.0072      0.00000
     12      17.0423      0.00000
     13      17.8667      0.00000
     14      19.1037      0.00000
     15      23.0484      0.00000
     16      25.4679      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.5205      2.00000
      2       3.6477      2.00000
      3       4.5200      2.00000
      4       4.5698      2.00000
      5       7.4677      0.00000
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     10      14.2231      0.00000
     11      16.0293      0.00000
     12      17.9667      0.00000
     13      18.3151      0.00000
     14      18.7937      0.00000
     15      24.9975      0.00000
     16      25.3318      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
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     13      19.0515      0.00000
     14      20.3906      0.00000
     15      23.0178      0.00000
     16      23.6278      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
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     10      15.8117      0.00000
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     13      19.4315      0.00000
     14      21.1364      0.00000
     15      21.9940      0.00000
     16      23.3394      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8618      2.00000
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      3       3.1658      2.00000
      4       3.9603      2.00000
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     10      16.8049      0.00000
     11      17.5683      0.00000
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     13      18.8148      0.00000
     14      22.1314      0.00000
     15      23.6416      0.00000
     16      23.9582      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
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      2      -0.9183      2.00000
      3       2.8303      2.00000
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     10      15.5151      0.00000
     11      17.5295      0.00000
     12      18.7862      0.00000
     13      19.6373      0.00000
     14      21.6603      0.00000
     15      24.8380      0.00000
     16      25.0343      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
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      2      -0.4917      2.00000
      3       2.6728      2.00000
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     10      14.5758      0.00000
     11      17.3852      0.00000
     12      19.7697      0.00000
     13      20.7838      0.00000
     14      21.1882      0.00000
     15      22.5727      0.00000
     16      24.8266      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
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      2       0.6414      2.00000
      3       2.7480      2.00000
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     10      16.0817      0.00000
     11      17.8272      0.00000
     12      18.0602      0.00000
     13      19.9311      0.00000
     14      22.0037      0.00000
     15      22.6751      0.00000
     16      23.7631      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9776      2.00000
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      3       3.2297      2.00000
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     10      15.9173      0.00000
     11      16.6444      0.00000
     12      17.7098      0.00000
     13      19.7059      0.00000
     14      20.9740      0.00000
     15      22.4248      0.00000
     16      24.6695      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.8006      2.00000
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     10      15.0627      0.00000
     11      17.9314      0.00000
     12      19.1097      0.00000
     13      19.2996      0.00000
     14      20.0175      0.00000
     15      22.8178      0.00000
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 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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      3       3.2813      2.00000
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     10      16.1036      0.00000
     11      18.1079      0.00000
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     13      19.8090      0.00000
     14      20.7953      0.00000
     15      21.8406      0.00000
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 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     15      22.7420      0.00000
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 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     14      23.4829      0.00000
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 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     13      20.1993      0.00000
     14      22.7454      0.00000
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 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
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     14      21.4280      0.00000
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     15      21.7536      0.00000
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 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     13      21.2260      0.00000
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     15      22.0932      0.00000
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 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     15      23.8552      0.00000
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 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     11      19.0304      0.00000
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     14      20.0543      0.00000
     15      23.9692      0.00000
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 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3803      2.00000
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 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8599      2.00000
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     10      16.0093      0.00000
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     14      21.3593      0.00000
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 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1934      2.00000
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      3       3.1879      2.00000
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     11      17.7962      0.00000
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     13      20.0954      0.00000
     14      21.1914      0.00000
     15      22.7089      0.00000
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5747      2.00000
      2      -0.8117      2.00000
      3       3.1013      2.00000
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     10      15.8312      0.00000
     11      17.0903      0.00000
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     13      19.7027      0.00000
     14      21.2565      0.00000
     15      23.5567      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6707      2.00000
      2       1.6007      2.00000
      3       3.2844      2.00000
      4       4.0823      2.00000
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     10      16.1228      0.00000
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     14      21.2498      0.00000
     15      21.4223      0.00000
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.0444      2.00000
      2       0.4957      2.00000
      3       2.7174      2.00000
      4       3.7615      2.00000
      5       8.0181      0.00000
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     11      18.0554      0.00000
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     13      20.0394      0.00000
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     15      22.3172      0.00000
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.3652      2.00000
      2      -0.5319      2.00000
      3       2.3585      2.00000
      4       3.5790      2.00000
      5       8.1626      0.00000
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     10      16.6290      0.00000
     11      17.5881      0.00000
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     14      22.2565      0.00000
     15      23.7556      0.00000
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.1098      2.00000
      2      -0.8740      2.00000
      3       2.1508      2.00000
      4       3.6433      2.00000
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     10      15.8588      0.00000
     11      18.1551      0.00000
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     13      21.8644      0.00000
     14      22.0596      0.00000
     15      23.3803      0.00000
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6342      2.00000
      2      -0.1668      2.00000
      3       2.1531      2.00000
      4       3.9274      2.00000
      5       8.7595      0.00000
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     11      18.4056      0.00000
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     14      21.1171      0.00000
     15      23.6756      0.00000
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.3172      2.00000
      2       0.8197      2.00000
      3       2.5405      2.00000
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      5       9.2142      0.00000
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     10      16.4172      0.00000
     11      17.9436      0.00000
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     14      21.8166      0.00000
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 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.7047      2.00000
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      5       7.2793      0.00000
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     10      17.4156      0.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.0163      2.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.5532      2.00000
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     10      15.9465      0.00000
     11      19.0182      0.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
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     11      20.2330      0.00000
     12      20.4943      0.00000
     13      20.6714      0.00000
     14      22.5055      0.00000
     15      22.5522      0.00000
     16      23.9278      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.5183      2.00000
      2      -1.1727      2.00000
      3       2.6192      2.00000
      4       2.7538      2.00000
      5       7.2066      0.00000
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     10      17.1939      0.00000
     11      17.8691      0.00000
     12      19.3903      0.00000
     13      20.0009      0.00000
     14      21.6256      0.00000
     15      22.6071      0.00000
     16      23.9973      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.0145      2.00000
      2      -1.6275      2.00000
      3       1.9712      2.00000
      4       2.8127      2.00000
      5       7.5037      0.00000
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      7      13.5615      0.00000
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     10      16.1565      0.00000
     11      18.8524      0.00000
     12      19.6231      0.00000
     13      21.7477      0.00000
     14      22.4407      0.00000
     15      22.7884      0.00000
     16      23.1205      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3922      2.00000
      2      -0.1970      2.00000
      3       2.0375      2.00000
      4       3.3016      2.00000
      5       8.9662      0.00000
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      7      10.3658      0.00000
      8      13.5355      0.00000
      9      15.0865      0.00000
     10      15.4459      0.00000
     11      19.3462      0.00000
     12      20.0190      0.00000
     13      20.0857      0.00000
     14      20.5956      0.00000
     15      22.6029      0.00000
     16      24.1416      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7574      2.00000
      2      -0.9090      2.00000
      3       1.7752      2.00000
      4       2.9639      2.00000
      5       9.3539      0.00000
      6       9.8427      0.00000
      7      11.0077      0.00000
      8      13.0589      0.00000
      9      14.0048      0.00000
     10      16.5977      0.00000
     11      18.4001      0.00000
     12      19.9061      0.00000
     13      21.3249      0.00000
     14      22.5244      0.00000
     15      22.9298      0.00000
     16      24.5236      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.3381      2.00000
      2      -1.2378      2.00000
      3       1.9996      2.00000
      4       2.4131      2.00000
      5       8.8817      0.00000
      6       9.0910      0.00000
      7      11.6924      0.00000
      8      13.3085      0.00000
      9      15.4819      0.00000
     10      16.9766      0.00000
     11      18.2750      0.00000
     12      19.6181      0.00000
     13      21.5627      0.00000
     14      22.5953      0.00000
     15      23.0069      0.00000
     16      24.2373      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.1572      2.00000
      2      -1.4039      2.00000
      3       1.7563      2.00000
      4       2.4302      2.00000
      5       9.2484      0.00000
      6      10.5521      0.00000
      7      11.4304      0.00000
      8      11.4576      0.00000
      9      15.5292      0.00000
     10      16.5820      0.00000
     11      18.6633      0.00000
     12      19.8396      0.00000
     13      21.6684      0.00000
     14      22.5939      0.00000
     15      24.2638      0.00000
     16      24.2936      0.00000

 k-point    57 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9620      2.00000
      2       5.0474      2.00000
      3       5.4491      2.00000
      4       5.4491      2.00000
      5       8.2037      0.00000
      6       9.1395      0.00000
      7       9.1395      0.00000
      8      10.0912      0.00000
      9      12.6020      0.00000
     10      13.9377      0.00000
     11      14.4917      0.00000
     12      17.5744      0.00000
     13      17.5744      0.00000
     14      17.6696      0.00000
     15      22.2644      0.00000
     16      27.4190      0.00000

 k-point    58 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.8130      2.00000
      2       4.1275      2.00000
      3       4.8503      2.00000
      4       5.8135      2.00000
      5       8.7633      0.00000
      6       8.8940      0.00000
      7       8.9441      0.00000
      8      10.9738      0.00000
      9      12.7287      0.00000
     10      13.5061      0.00000
     11      15.0052      0.00000
     12      16.9858      0.00000
     13      17.5080      0.00000
     14      19.3655      0.00000
     15      23.1632      0.00000
     16      25.8665      0.00000

 k-point    59 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.4202      2.00000
      2       2.6300      2.00000
      3       4.2866      2.00000
      4       5.5476      2.00000
      5       8.6730      0.00000
      6       9.1766      0.00000
      7       9.5197      0.00000
      8      11.7672      0.00000
      9      12.3536      0.00000
     10      14.2476      0.00000
     11      15.5756      0.00000
     12      17.2179      0.00000
     13      18.8930      0.00000
     14      21.0786      0.00000
     15      23.3658      0.00000
     16      24.4457      0.00000

 k-point    60 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8414      2.00000
      2       1.0612      2.00000
      3       3.9821      2.00000
      4       5.1893      2.00000
      5       8.3879      0.00000
      6       9.4777      0.00000
      7       9.6122      0.00000
      8      12.6354      0.00000
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     10      15.1984      0.00000
     11      15.7124      0.00000
     12      18.7511      0.00000
     13      20.1641      0.00000
     14      21.8766      0.00000
     15      21.9644      0.00000
     16      23.6198      0.00000

 k-point    61 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1542      2.00000
      2      -0.2792      2.00000
      3       3.8532      2.00000
      4       4.8672      2.00000
      5       8.1828      0.00000
      6       9.3684      0.00000
      7       9.5561      0.00000
      8      13.6937      0.00000
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     10      15.0774      0.00000
     11      17.3968      0.00000
     12      18.0252      0.00000
     13      20.2333      0.00000
     14      20.5371      0.00000
     15      22.6211      0.00000
     16      24.0507      0.00000

 k-point    62 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.6691      2.00000
      2      -1.0301      2.00000
      3       3.8863      2.00000
      4       4.6376      2.00000
      5       8.0900      0.00000
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     10      15.5443      0.00000
     11      16.9286      0.00000
     12      18.2305      0.00000
     13      18.7362      0.00000
     14      19.7126      0.00000
     15      24.7582      0.00000
     16      26.0364      0.00000

 k-point    63 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.9516      2.00000
      2      -0.6129      2.00000
      3       4.0674      2.00000
      4       4.5304      2.00000
      5       8.1176      0.00000
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     10      16.2294      0.00000
     11      17.0443      0.00000
     12      17.6831      0.00000
     13      18.5683      0.00000
     14      21.1093      0.00000
     15      23.5163      0.00000
     16      25.1611      0.00000

 k-point    64 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.6307      2.00000
      2       0.5943      2.00000
      3       4.3761      2.00000
      4       4.5632      2.00000
      5       8.2542      0.00000
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     10      14.8500      0.00000
     11      15.5422      0.00000
     12      19.4641      0.00000
     13      19.6275      0.00000
     14      21.1518      0.00000
     15      22.9849      0.00000
     16      23.3584      0.00000

 k-point    65 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.2571      2.00000
      2       2.1113      2.00000
      3       4.7421      2.00000
      4       4.7767      2.00000
      5       8.4003      0.00000
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     10      13.9922      0.00000
     11      15.5273      0.00000
     12      17.8268      0.00000
     13      19.9012      0.00000
     14      20.9552      0.00000
     15      23.0114      0.00000
     16      23.5734      0.00000

 k-point    66 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7121      2.00000
      2       3.7299      2.00000
      3       5.0549      2.00000
      4       5.1802      2.00000
      5       8.2571      0.00000
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     10      13.8658      0.00000
     11      15.3115      0.00000
     12      17.0919      0.00000
     13      18.4322      0.00000
     14      19.1816      0.00000
     15      23.5443      0.00000
     16      25.3256      0.00000

 k-point    67 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5885      2.00000
      2      -0.7961      2.00000
      3       3.1261      2.00000
      4       4.2031      2.00000
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     10      15.7332      0.00000
     11      17.1089      0.00000
     12      18.4816      0.00000
     13      19.4558      0.00000
     14      21.5421      0.00000
     15      23.8128      0.00000
     16      25.5581      0.00000

 k-point    68 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2162      2.00000
      2       0.2022      2.00000
      3       3.2497      2.00000
      4       4.3910      2.00000
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     10      15.7758      0.00000
     11      17.5741      0.00000
     12      17.8798      0.00000
     13      20.1576      0.00000
     14      21.3124      0.00000
     15      22.9081      0.00000
     16      23.9998      0.00000

 k-point    69 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8801      2.00000
      2       1.5533      2.00000
      3       3.5227      2.00000
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     10      15.8274      0.00000
     11      16.3529      0.00000
     12      18.3003      0.00000
     13      19.8234      0.00000
     14      21.3048      0.00000
     15      21.9450      0.00000
     16      23.9814      0.00000

 k-point    70 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3947      2.00000
      2       2.8699      2.00000
      3       4.0976      2.00000
      4       5.0678      2.00000
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     10      14.3919      0.00000
     11      16.1725      0.00000
     12      17.5282      0.00000
     13      18.7009      0.00000
     14      20.5723      0.00000
     15      23.0414      0.00000
     16      24.6383      0.00000

 k-point    71 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3837      2.00000
      2       2.8966      2.00000
      3       4.0671      2.00000
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     10      14.2894      0.00000
     11      16.2274      0.00000
     12      17.4731      0.00000
     13      18.7327      0.00000
     14      20.4124      0.00000
     15      22.9991      0.00000
     16      24.9829      0.00000

 k-point    72 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.8660      2.00000
      2       1.5616      2.00000
      3       3.5129      2.00000
      4       4.7368      2.00000
      5       8.5088      0.00000
      6       9.4435      0.00000
      7      10.6396      0.00000
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     10      15.8059      0.00000
     11      16.3794      0.00000
     12      18.3105      0.00000
     13      19.8300      0.00000
     14      21.2626      0.00000
     15      21.9774      0.00000
     16      24.1437      0.00000

 k-point    73 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6735      2.00000
      2       1.6180      2.00000
      3       3.3319      2.00000
      4       4.0387      2.00000
      5       7.6244      0.00000
      6       9.1918      0.00000
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     10      15.8818      0.00000
     11      17.5021      0.00000
     12      18.4897      0.00000
     13      19.8101      0.00000
     14      21.2763      0.00000
     15      21.3268      0.00000
     16      23.6703      0.00000

 k-point    74 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.2005      2.00000
      2       0.1999      2.00000
      3       3.2732      2.00000
      4       4.3831      2.00000
      5       8.5296      0.00000
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      8      11.6025      0.00000
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     10      15.8081      0.00000
     11      17.5800      0.00000
     12      17.8649      0.00000
     13      20.3476      0.00000
     14      21.3611      0.00000
     15      22.8888      0.00000
     16      23.8016      0.00000

 k-point    75 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0487      2.00000
      2       0.5194      2.00000
      3       2.7689      2.00000
      4       3.7249      2.00000
      5       7.9769      0.00000
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      7      10.4846      0.00000
      8      12.5020      0.00000
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     10      16.6315      0.00000
     11      17.7978      0.00000
     12      18.5170      0.00000
     13      20.2775      0.00000
     14      20.8897      0.00000
     15      22.4434      0.00000
     16      24.2483      0.00000

 k-point    76 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.7064      2.00000
      2       0.2477      2.00000
      3       2.8421      2.00000
      4       3.2251      2.00000
      5       7.2536      0.00000
      6       8.1231      0.00000
      7      12.1641      0.00000
      8      13.8970      0.00000
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     10      17.1210      0.00000
     11      17.7286      0.00000
     12      19.3710      0.00000
     13      20.2484      0.00000
     14      20.8981      0.00000
     15      22.2217      0.00000
     16      22.9268      0.00000

 k-point    77 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5769      2.00000
      2      -0.7958      2.00000
      3       3.1873      2.00000
      4       4.1622      2.00000
      5       8.4932      0.00000
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      7      10.7531      0.00000
      8      13.0715      0.00000
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     10      15.8783      0.00000
     11      17.2539      0.00000
     12      18.7146      0.00000
     13      19.4699      0.00000
     14      21.2841      0.00000
     15      23.8627      0.00000
     16      25.5136      0.00000

 k-point    78 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.3671      2.00000
      2      -0.5104      2.00000
      3       2.3977      2.00000
      4       3.5666      2.00000
      5       8.0980      0.00000
      6      10.0727      0.00000
      7      10.9408      0.00000
      8      12.4615      0.00000
      9      14.8859      0.00000
     10      16.7865      0.00000
     11      17.8622      0.00000
     12      19.1350      0.00000
     13      19.7538      0.00000
     14      22.5356      0.00000
     15      23.8571      0.00000
     16      24.6415      0.00000

 k-point    79 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.0170      2.00000
      2      -0.5888      2.00000
      3       2.2027      2.00000
      4       3.0522      2.00000
      5       7.5886      0.00000
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      7      11.8043      0.00000
      8      14.2718      0.00000
      9      15.1308      0.00000
     10      17.3407      0.00000
     11      18.2377      0.00000
     12      19.7755      0.00000
     13      20.6345      0.00000
     14      21.3130      0.00000
     15      23.0189      0.00000
     16      23.7543      0.00000

 k-point    80 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.5179      2.00000
      2      -1.1681      2.00000
      3       2.6416      2.00000
      4       2.7598      2.00000
      5       7.1789      0.00000
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      7      13.6903      0.00000
      8      15.2815      0.00000
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     10      17.5410      0.00000
     11      18.2067      0.00000
     12      19.6702      0.00000
     13      19.7839      0.00000
     14      21.2283      0.00000
     15      22.6777      0.00000
     16      24.1660      0.00000

 k-point    81 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.0993      2.00000
      2      -0.8641      2.00000
      3       2.1666      2.00000
      4       3.6614      2.00000
      5       8.3009      0.00000
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      9      13.1227      0.00000
     10      16.1314      0.00000
     11      18.2624      0.00000
     12      19.2308      0.00000
     13      21.6226      0.00000
     14      22.0375      0.00000
     15      23.4887      0.00000
     16      24.5041      0.00000

 k-point    82 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.5445      2.00000
      2      -1.0976      2.00000
      3       1.6837      2.00000
      4       3.1754      2.00000
      5       7.7917      0.00000
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     10      16.2740      0.00000
     11      19.2926      0.00000
     12      20.4084      0.00000
     13      21.6715      0.00000
     14      22.1197      0.00000
     15      23.3607      0.00000
     16      24.1456      0.00000

 k-point    83 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.0079      2.00000
      2      -1.6231      2.00000
      3       1.9827      2.00000
      4       2.8412      2.00000
      5       7.4501      0.00000
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     10      16.5083      0.00000
     11      19.2021      0.00000
     12      19.9726      0.00000
     13      21.4045      0.00000
     14      22.0785      0.00000
     15      22.8159      0.00000
     16      23.2232      0.00000

 k-point    84 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6165      2.00000
      2      -0.1593      2.00000
      3       2.1455      2.00000
      4       3.9652      2.00000
      5       8.6614      0.00000
      6       9.6413      0.00000
      7      11.3966      0.00000
      8      12.2543      0.00000
      9      14.5404      0.00000
     10      14.6781      0.00000
     11      18.4580      0.00000
     12      20.0386      0.00000
     13      20.7417      0.00000
     14      21.2547      0.00000
     15      23.5153      0.00000
     16      23.9751      0.00000

 k-point    85 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9429      2.00000
      2      -0.6915      2.00000
      3       1.5824      2.00000
      4       3.5060      2.00000
      5       8.1588      0.00000
      6      10.8815      0.00000
      7      11.6280      0.00000
      8      12.5632      0.00000
      9      13.7045      0.00000
     10      14.8813      0.00000
     11      20.2710      0.00000
     12      20.7745      0.00000
     13      20.7871      0.00000
     14      22.4899      0.00000
     15      22.7792      0.00000
     16      23.6185      0.00000

 k-point    86 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.3003      2.00000
      2       0.8351      2.00000
      3       2.5165      2.00000
      4       4.3847      2.00000
      5       9.1147      0.00000
      6       9.2385      0.00000
      7      10.5205      0.00000
      8      11.8114      0.00000
      9      13.5846      0.00000
     10      16.4032      0.00000
     11      17.9257      0.00000
     12      18.5366      0.00000
     13      19.5220      0.00000
     14      21.8755      0.00000
     15      22.3569      0.00000
     16      24.7182      0.00000

 k-point    87 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.5353      2.00000
      2       3.5462      2.00000
      3       4.6207      2.00000
      4       4.6207      2.00000
      5       7.5682      0.00000
      6      10.0473      0.00000
      7      10.5033      0.00000
      8      10.5033      0.00000
      9      12.6478      0.00000
     10      14.4110      0.00000
     11      15.9454      0.00000
     12      18.2747      0.00000
     13      18.2747      0.00000
     14      18.7918      0.00000
     15      24.5953      0.00000
     16      25.0107      0.00000

 k-point    88 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9645      2.00000
      2       1.8135      2.00000
      3       3.1489      2.00000
      4       5.2899      2.00000
      5       9.0078      0.00000
      6       9.6626      0.00000
      7       9.8928      0.00000
      8      11.5890      0.00000
      9      12.0412      0.00000
     10      16.1080      0.00000
     11      16.5462      0.00000
     12      17.4270      0.00000
     13      19.7128      0.00000
     14      21.1160      0.00000
     15      22.6341      0.00000
     16      24.5167      0.00000

 k-point    89 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.3395      2.00000
      2       0.6016      2.00000
      3       2.6614      2.00000
      4       4.8777      2.00000
      5       8.6682      0.00000
      6      10.1662      0.00000
      7      10.2076      0.00000
      8      12.2788      0.00000
      9      12.4613      0.00000
     10      16.0817      0.00000
     11      17.9207      0.00000
     12      18.1089      0.00000
     13      19.8289      0.00000
     14      21.8985      0.00000
     15      22.5570      0.00000
     16      23.5557      0.00000

 k-point    90 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.6620      2.00000
      2      -0.5264      2.00000
      3       2.5773      2.00000
      4       4.4874      2.00000
      5       8.2854      0.00000
      6      10.1660      0.00000
      7      10.4232      0.00000
      8      13.6746      0.00000
      9      13.7101      0.00000
     10      14.7447      0.00000
     11      17.2663      0.00000
     12      20.0162      0.00000
     13      20.6403      0.00000
     14      20.9486      0.00000
     15      22.2637      0.00000
     16      24.8086      0.00000

 k-point    91 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3883      2.00000
      2      -0.9261      2.00000
      3       2.7324      2.00000
      4       4.2036      2.00000
      5       8.0143      0.00000
      6      10.1842      0.00000
      7      10.6598      0.00000
      8      12.9876      0.00000
      9      15.0283      0.00000
     10      15.4401      0.00000
     11      17.4017      0.00000
     12      18.6590      0.00000
     13      19.4488      0.00000
     14      21.9364      0.00000
     15      24.5387      0.00000
     16      24.9879      0.00000

 k-point    92 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.8896      2.00000
      2      -0.1961      2.00000
      3       3.0792      2.00000
      4       4.0655      2.00000
      5       7.8978      0.00000
      6      10.3215      0.00000
      7      10.9611      0.00000
      8      11.3220      0.00000
      9      15.8549      0.00000
     10      16.7149      0.00000
     11      17.4844      0.00000
     12      17.6229      0.00000
     13      18.7272      0.00000
     14      22.1363      0.00000
     15      23.8206      0.00000
     16      24.1643      0.00000

 k-point    93 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.5769      2.00000
      2       1.0469      2.00000
      3       3.5819      2.00000
      4       4.0907      2.00000
      5       7.8574      0.00000
      6      10.0532      0.00000
      7      10.5515      0.00000
      8      11.2135      0.00000
      9      15.4461      0.00000
     10      15.6723      0.00000
     11      16.4871      0.00000
     12      19.2777      0.00000
     13      19.4132      0.00000
     14      21.0523      0.00000
     15      22.0628      0.00000
     16      23.3248      0.00000

 k-point    94 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.1496      2.00000
      2       2.4076      2.00000
      3       4.1601      2.00000
      4       4.2814      2.00000
      5       7.6313      0.00000
      6       9.6286      0.00000
      7      10.7652      0.00000
      8      11.1080      0.00000
      9      13.9344      0.00000
     10      14.6941      0.00000
     11      16.7248      0.00000
     12      18.1672      0.00000
     13      19.1754      0.00000
     14      20.4073      0.00000
     15      22.9708      0.00000
     16      23.4747      0.00000

 k-point    95 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2901      2.00000
      2       0.7922      2.00000
      3       2.4469      2.00000
      4       4.4588      2.00000
      5       9.2909      0.00000
      6       9.3222      0.00000
      7      10.5763      0.00000
      8      11.6115      0.00000
      9      13.4901      0.00000
     10      16.5213      0.00000
     11      18.1021      0.00000
     12      18.2999      0.00000
     13      19.5068      0.00000
     14      21.7865      0.00000
     15      22.0699      0.00000
     16      24.7539      0.00000

 k-point    96 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.6071      2.00000
      2      -0.2062      2.00000
      3       2.0704      2.00000
      4       4.0385      2.00000
      5       8.8656      0.00000
      6       9.7228      0.00000
      7      11.4777      0.00000
      8      12.0686      0.00000
      9      14.4313      0.00000
     10      14.8787      0.00000
     11      18.2300      0.00000
     12      20.2801      0.00000
     13      20.4253      0.00000
     14      20.9500      0.00000
     15      23.4635      0.00000
     16      23.7410      0.00000

 k-point    97 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.1068      2.00000
      2      -0.8951      2.00000
      3       2.0930      2.00000
      4       3.7291      2.00000
      5       8.4889      0.00000
      6       9.9292      0.00000
      7      12.1721      0.00000
      8      12.8306      0.00000
      9      13.2176      0.00000
     10      15.9582      0.00000
     11      18.0283      0.00000
     12      18.9444      0.00000
     13      21.5987      0.00000
     14      22.2878      0.00000
     15      23.1310      0.00000
     16      24.2608      0.00000

 k-point    98 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.3980      2.00000
      2      -0.5247      2.00000
      3       2.3506      2.00000
      4       3.6171      2.00000
      5       8.2634      0.00000
      6      10.1995      0.00000
      7      11.1518      0.00000
      8      12.2928      0.00000
      9      14.9606      0.00000
     10      16.5684      0.00000
     11      17.6880      0.00000
     12      18.9271      0.00000
     13      19.7618      0.00000
     14      22.4292      0.00000
     15      23.9420      0.00000
     16      24.5293      0.00000

 k-point    99 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.0816      2.00000
      2       0.4880      2.00000
      3       2.7804      2.00000
      4       3.7495      2.00000
      5       8.1308      0.00000
      6       9.7019      0.00000
      7      10.6250      0.00000
      8      12.3415      0.00000
      9      15.2556      0.00000
     10      16.6562      0.00000
     11      17.8376      0.00000
     12      18.4861      0.00000
     13      20.1068      0.00000
     14      20.7343      0.00000
     15      22.3610      0.00000
     16      24.1670      0.00000

 k-point   100 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.7018      2.00000
      2       1.5593      2.00000
      3       3.3879      2.00000
      4       4.0693      2.00000
      5       7.7743      0.00000
      6       9.2355      0.00000
      7      10.9257      0.00000
      8      11.9499      0.00000
      9      14.4501      0.00000
     10      15.9623      0.00000
     11      17.4240      0.00000
     12      18.5086      0.00000
     13      19.7570      0.00000
     14      21.2645      0.00000
     15      21.3313      0.00000
     16      23.5875      0.00000

 k-point   101 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7832      2.00000
      2      -0.8966      2.00000
      3       1.8176      2.00000
      4       2.9335      2.00000
      5       9.4402      0.00000
      6       9.7743      0.00000
      7      11.1492      0.00000
      8      12.8733      0.00000
      9      14.0206      0.00000
     10      16.5168      0.00000
     11      18.5252      0.00000
     12      19.9417      0.00000
     13      21.4600      0.00000
     14      22.3248      0.00000
     15      22.9055      0.00000
     16      24.7899      0.00000

 k-point   102 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.4333      2.00000
      2      -0.1942      2.00000
      3       2.1307      2.00000
      4       3.2453      2.00000
      5       9.1117      0.00000
      6       9.6830      0.00000
      7      10.2900      0.00000
      8      13.5677      0.00000
      9      14.8869      0.00000
     10      15.4020      0.00000
     11      19.5646      0.00000
     12      19.9287      0.00000
     13      20.1658      0.00000
     14      20.5338      0.00000
     15      22.6970      0.00000
     16      23.9945      0.00000

 k-point   103 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3969      2.00000
      2      -0.1582      2.00000
      3       2.0933      2.00000
      4       3.2683      2.00000
      5       8.8984      0.00000
      6       9.5411      0.00000
      7      10.0999      0.00000
      8      13.7888      0.00000
      9      14.7992      0.00000
     10      15.6263      0.00000
     11      19.6468      0.00000
     12      19.9261      0.00000
     13      20.3435      0.00000
     14      20.7477      0.00000
     15      22.9198      0.00000
     16      24.0574      0.00000

 k-point   104 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7522      2.00000
      2      -0.8695      2.00000
      3       1.8167      2.00000
      4       2.9446      2.00000
      5       9.2512      0.00000
      6       9.6031      0.00000
      7      10.9033      0.00000
      8      12.7824      0.00000
      9      14.2559      0.00000
     10      16.8031      0.00000
     11      18.7405      0.00000
     12      20.1410      0.00000
     13      21.6587      0.00000
     14      22.3094      0.00000
     15      23.0892      0.00000
     16      24.5480      0.00000

 k-point   105 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.3324      2.00000
      2      -1.2155      2.00000
      3       2.0351      2.00000
      4       2.4182      2.00000
      5       8.8061      0.00000
      6       9.0147      0.00000
      7      11.3946      0.00000
      8      13.0019      0.00000
      9      15.7862      0.00000
     10      17.2632      0.00000
     11      18.6206      0.00000
     12      19.9833      0.00000
     13      21.6829      0.00000
     14      22.3234      0.00000
     15      23.0462      0.00000
     16      24.2043      0.00000

 k-point   106 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.1311      2.00000
      2      -1.3836      2.00000
      3       1.7560      2.00000
      4       2.4590      2.00000
      5       9.1400      0.00000
      6      10.4124      0.00000
      7      11.1804      0.00000
      8      11.2078      0.00000
      9      15.8120      0.00000
     10      16.9007      0.00000
     11      18.9480      0.00000
     12      20.1384      0.00000
     13      21.7873      0.00000
     14      22.8310      0.00000
     15      24.0627      0.00000
     16      24.3208      0.00000

 k-point   107 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.8329      2.00000
      2       1.9117      2.00000
      3       3.9047      2.00000
      4       3.9047      2.00000
      5       6.9842      0.00000
      6       8.7001      0.00000
      7      12.0866      0.00000
      8      12.0866      0.00000
      9      14.4482      0.00000
     10      15.1986      0.00000
     11      17.7843      0.00000
     12      19.2436      0.00000
     13      19.2436      0.00000
     14      20.0514      0.00000
     15      22.9133      0.00000
     16      22.9133      0.00000

 k-point   108 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6906      2.00000
      2      -0.0248      2.00000
      3       1.8041      2.00000
      4       4.4268      2.00000
      5       8.2091      0.00000
      6      11.1430      0.00000
      7      11.4026      0.00000
      8      12.3777      0.00000
      9      12.6402      0.00000
     10      14.8084      0.00000
     11      18.8113      0.00000
     12      19.5782      0.00000
     13      20.4392      0.00000
     14      22.6182      0.00000
     15      22.9165      0.00000
     16      23.5218      0.00000

 k-point   109 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.0563      2.00000
      2      -0.7924      2.00000
      3       1.6494      2.00000
      4       4.0194      2.00000
      5       7.7486      0.00000
      6      11.7218      0.00000
      7      11.7526      0.00000
      8      12.8095      0.00000
      9      13.7419      0.00000
     10      13.7594      0.00000
     11      18.8931      0.00000
     12      21.0199      0.00000
     13      21.0824      0.00000
     14      21.8540      0.00000
     15      22.7623      0.00000
     16      23.7377      0.00000

 k-point   110 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.0267      2.00000
      2      -0.8543      2.00000
      3       1.9517      2.00000
      4       3.7389      2.00000
      5       7.4450      0.00000
      6      10.7877      0.00000
      7      12.0494      0.00000
      8      12.1159      0.00000
      9      15.4573      0.00000
     10      15.5102      0.00000
     11      18.9903      0.00000
     12      19.0510      0.00000
     13      19.7091      0.00000
     14      23.5882      0.00000
     15      23.6071      0.00000
     16      24.1007      0.00000

 k-point   111 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6578      2.00000
      2      -0.0494      2.00000
      3       2.5583      2.00000
      4       3.6205      2.00000
      5       7.3042      0.00000
      6       9.2715      0.00000
      7      12.2141      0.00000
      8      12.4512      0.00000
      9      16.9937      0.00000
     10      17.1637      0.00000
     11      17.6478      0.00000
     12      17.8342      0.00000
     13      19.6129      0.00000
     14      21.5774      0.00000
     15      22.7527      0.00000
     16      24.3804      0.00000

 k-point   112 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.3209      2.00000
      2       0.9649      2.00000
      3       3.3350      2.00000
      4       3.6767      2.00000
      5       7.1202      0.00000
      6       8.4456      0.00000
      7      12.3779      0.00000
      8      12.5755      0.00000
      9      15.9008      0.00000
     10      15.9258      0.00000
     11      18.0288      0.00000
     12      19.2950      0.00000
     13      19.7386      0.00000
     14      20.7383      0.00000
     15      21.8243      0.00000
     16      22.7972      0.00000

 k-point   113 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9409      2.00000
      2      -0.7564      2.00000
      3       1.5275      2.00000
      4       3.5782      2.00000
      5       8.3556      0.00000
      6      10.9934      0.00000
      7      11.7592      0.00000
      8      12.7906      0.00000
      9      13.4947      0.00000
     10      14.7345      0.00000
     11      19.9370      0.00000
     12      20.4423      0.00000
     13      20.5044      0.00000
     14      22.5267      0.00000
     15      22.7215      0.00000
     16      23.6478      0.00000

 k-point   114 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.5740      2.00000
      2      -1.1546      2.00000
      3       1.6567      2.00000
      4       3.2464      2.00000
      5       7.9736      0.00000
      6      10.6939      0.00000
      7      11.6789      0.00000
      8      13.2707      0.00000
      9      13.9935      0.00000
     10      16.0844      0.00000
     11      18.9989      0.00000
     12      20.1488      0.00000
     13      21.5669      0.00000
     14      21.9603      0.00000
     15      23.0995      0.00000
     16      24.1984      0.00000

 k-point   115 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.0693      2.00000
      2      -0.6494      2.00000
      3       2.2233      2.00000
      4       3.1157      2.00000
      5       7.7536      0.00000
      6       9.0989      0.00000
      7      11.9778      0.00000
      8      14.0906      0.00000
      9      15.2468      0.00000
     10      17.1097      0.00000
     11      18.0488      0.00000
     12      19.8234      0.00000
     13      20.4356      0.00000
     14      21.1091      0.00000
     15      22.9980      0.00000
     16      23.6207      0.00000

 k-point   116 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.7561      2.00000
      2       0.1642      2.00000
      3       2.9154      2.00000
      4       3.2840      2.00000
      5       7.4172      0.00000
      6       8.2223      0.00000
      7      12.3330      0.00000
      8      13.7201      0.00000
      9      16.0900      0.00000
     10      17.2096      0.00000
     11      17.8274      0.00000
     12      19.2198      0.00000
     13      20.0493      0.00000
     14      20.7264      0.00000
     15      22.1673      0.00000
     16      22.8007      0.00000

 k-point   117 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.1557      2.00000
      2      -1.4357      2.00000
      3       1.7380      2.00000
      4       2.4855      2.00000
      5       9.3662      0.00000
      6      10.6027      0.00000
      7      11.3213      0.00000
      8      11.3921      0.00000
      9      15.5452      0.00000
     10      16.6783      0.00000
     11      18.6457      0.00000
     12      19.8449      0.00000
     13      21.5021      0.00000
     14      22.6458      0.00000
     15      24.1324      0.00000
     16      24.1486      0.00000

 k-point   118 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.3846      2.00000
      2      -1.2687      2.00000
      3       2.0707      2.00000
      4       2.4312      2.00000
      5       9.0234      0.00000
      6       9.2161      0.00000
      7      11.5603      0.00000
      8      13.1375      0.00000
      9      15.5481      0.00000
     10      16.9911      0.00000
     11      18.4110      0.00000
     12      19.7372      0.00000
     13      21.5310      0.00000
     14      22.3557      0.00000
     15      22.8122      0.00000
     16      24.1480      0.00000

 k-point   119 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.8693      2.00000
      2       0.2813      2.00000
      3       3.4030      2.00000
      4       3.4030      2.00000
      5       6.6271      0.00000
      6       7.5914      0.00000
      7      13.7722      0.00000
      8      13.7722      0.00000
      9      16.2976      0.00000
     10      16.4274      0.00000
     11      19.1213      0.00000
     12      19.1213      0.00000
     13      19.4071      0.00000
     14      21.4078      0.00000
     15      21.6731      0.00000
     16      22.6160      0.00000

 k-point   120 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4657      2.00000
      2      -1.2778      2.00000
      3       1.4919      2.00000
      4       3.6262      2.00000
      5       7.2800      0.00000
      6      10.6431      0.00000
      7      13.1541      0.00000
      8      13.6064      0.00000
      9      13.9852      0.00000
     10      14.2059      0.00000
     11      20.6635      0.00000
     12      20.9950      0.00000
     13      21.3481      0.00000
     14      21.4726      0.00000
     15      21.7416      0.00000
     16      23.4477      0.00000

 k-point   121 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.5627      2.00000
      2      -1.2389      2.00000
      3       2.0182      2.00000
      4       3.3773      2.00000
      5       6.9939      0.00000
      6       8.8881      0.00000
      7      13.8344      0.00000
      8      13.9658      0.00000
      9      15.7199      0.00000
     10      15.7409      0.00000
     11      19.2281      0.00000
     12      19.6968      0.00000
     13      21.1399      0.00000
     14      21.3178      0.00000
     15      21.9764      0.00000
     16      23.9274      0.00000

 k-point   122 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.2478      2.00000
      2      -0.5296      2.00000
      3       2.8418      2.00000
      4       3.3004      2.00000
      5       6.8301      0.00000
      6       7.6478      0.00000
      7      14.1073      0.00000
      8      14.1173      0.00000
      9      17.4122      0.00000
     10      17.5115      0.00000
     11      17.7153      0.00000
     12      18.0034      0.00000
     13      20.5127      0.00000
     14      21.0533      0.00000
     15      21.6343      0.00000
     16      23.7554      0.00000

 k-point   123 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.0636      2.00000
      2      -1.7005      2.00000
      3       2.0127      2.00000
      4       2.9168      2.00000
      5       7.6197      0.00000
      6       8.9023      0.00000
      7      13.4050      0.00000
      8      13.6437      0.00000
      9      15.6463      0.00000
     10      16.3216      0.00000
     11      18.9381      0.00000
     12      19.7747      0.00000
     13      21.4591      0.00000
     14      22.1943      0.00000
     15      22.5382      0.00000
     16      22.9871      0.00000

 k-point   124 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.5891      2.00000
      2      -1.2541      2.00000
      3       2.7225      2.00000
      4       2.8367      2.00000
      5       7.3409      0.00000
      6       7.5958      0.00000
      7      13.8753      0.00000
      8      15.3462      0.00000
      9      15.7946      0.00000
     10      17.3034      0.00000
     11      18.0694      0.00000
     12      19.5555      0.00000
     13      19.7718      0.00000
     14      21.3570      0.00000
     15      22.4695      0.00000
     16      23.8908      0.00000

 k-point   125 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.6687      2.00000
      2      -1.2677      2.00000
      3       3.1467      2.00000
      4       3.1467      2.00000
      5       6.5774      0.00000
      6       6.8862      0.00000
      7      15.5003      0.00000
      8      15.5003      0.00000
      9      17.4963      0.00000
     10      17.4963      0.00000
     11      17.7026      0.00000
     12      18.2536      0.00000
     13      19.4092      0.00000
     14      19.5643      0.00000
     15      23.6946      0.00000
     16      24.5364      0.00000

 k-point   126 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.0175      2.00000
      2      -1.9109      2.00000
      3       2.6795      2.00000
      4       3.1731      2.00000
      5       6.7524      0.00000
      6       7.3581      0.00000
      7      15.4561      0.00000
      8      15.7223      0.00000
      9      16.0713      0.00000
     10      16.2466      0.00000
     11      19.1201      0.00000
     12      19.2129      0.00000
     13      19.3782      0.00000
     14      19.9403      0.00000
     15      23.6873      0.00000
     16      24.0585      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.405  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.178  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.178  -0.000   0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.178   0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.491  -0.799   0.000   0.000   0.000   0.000  -0.000   0.000
 -0.799   0.801   0.000   0.000   0.000   0.000  -0.000   0.000
  0.000   0.000   1.036   0.000  -0.000  -0.575  -0.000   0.000
  0.000   0.000   0.000   1.036   0.000  -0.000  -0.584  -0.000
  0.000   0.000  -0.000   0.000   1.036   0.000  -0.000  -0.575
  0.000   0.000  -0.575  -0.000   0.000   0.377   0.000  -0.000
 -0.000  -0.000  -0.000  -0.584  -0.000   0.000   0.387   0.000
  0.000   0.000   0.000  -0.000  -0.575  -0.000   0.000   0.377


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0200: real time    0.0205
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0090: real time    0.0094
    STRESS:  cpu time    0.1320: real time    0.1324
    FORCOR:  cpu time    0.0040: real time    0.0039
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.38997     3.38997     3.38997
  Ewald     -76.90605   -76.90605   -75.34278     0.00000     0.00000     0.00000
  Hartree     4.85141     4.85141     5.11816     0.00000     0.00000     0.00000
  E(xc)     -25.41527   -25.41526   -25.41833    -0.00000    -0.00000    -0.00000
  Local     -28.48437   -28.48437   -30.41268     0.00001     0.00001     0.00001
  n-local    79.83127    76.03043    78.17163    -1.39722     0.27606     1.90090
  augment   -11.65582   -11.65581   -11.65600    -0.00001    -0.00001    -0.00001
  Kinetic    57.34539    56.80495    56.56801    -1.37659     0.88080     2.61800
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.78590     0.78590     0.41798     0.00000     0.00000     0.00000
  in kB      31.69988    31.69988    16.85977     0.00000     0.00000     0.00000
  external pressure =       26.75 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.72
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.182808659
     0.000000000  2.694680000  2.735100200    -0.185550789  0.185550789  0.182808659
     2.694680000  0.000000000  2.735100200     0.185550789 -0.185550789  0.182808659

  length of vectors
     3.810853002  3.839540781  3.839540781     0.319808062  0.319808062  0.319808062


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.150E-06 0.168E-06 0.174E-06   0.188E-14 -.175E-15 -.236E-14   -.281E-16 -.298E-16 0.273E-16   0.217E-08 0.632E-08 0.597E-08
   -.150E-06 -.168E-06 -.174E-06   -.177E-14 0.491E-15 0.203E-14   0.302E-16 0.209E-16 -.348E-16   -.217E-08 -.632E-08 -.597E-08
 -----------------------------------------------------------------------------------------------
   -.663E-14 0.458E-13 -.435E-13   0.112E-15 0.316E-15 -.331E-15   0.208E-17 -.890E-17 -.757E-17   0.233E-14 -.710E-15 0.299E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      1.34734      1.34734      1.36755        -0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.83569462 eV

  energy  without entropy=      -10.83569462  energy(sigma->0) =      -10.83569462
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.3103458E-01-0.310E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.2303460E+01 0.230E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0056


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   3/  7
  Displacement:        1/  2
  Total:               5/ 14
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     3.8108530023
 C/A-ratio  =     1.3930003589
  
  Lattice vectors:
  
 A1 = (   0.0000000000,  -2.6946800000,   2.6542598000)
 A2 = (   0.0000000000,   2.6946800000,   2.6542598000)
 A3 = (  -2.6946800000,   0.0000000000,  -2.6542598000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 body centered tetragonal supercell.


 Subroutine GETGRP returns: Found 16 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry D_2d.
 The point group associated with its full space group is D_4h.


 Subroutine INISYM returns: Found 16 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000    -0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.707107     0.707107    -0.000000     0.000000     0.000000     0.000000
    6     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
    8     1.000000   180.000000     0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
    9    -1.000000     0.000000     1.000000     0.000000     0.000000    -0.750000     0.250000     0.250000
   10     1.000000    90.000000     0.000000     0.000000    -1.000000    -0.750000     0.250000     0.250000
   11    -1.000000   180.000000    -0.000000     0.000000    -1.000000    -0.750000     0.250000     0.250000
   12     1.000000    90.000000     0.000000     0.000000     1.000000    -0.750000     0.250000     0.250000
   13     1.000000   180.000000     0.707107     0.707107    -0.000000    -0.750000     0.250000     0.250000
   14    -1.000000   180.000000     1.000000     0.000000     0.000000    -0.750000     0.250000     0.250000
   15     1.000000   180.000000     0.707107    -0.707107     0.000000    -0.750000     0.250000     0.250000
   16    -1.000000   180.000000     0.000000    -1.000000    -0.000000    -0.750000     0.250000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    126 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      8.000000
  0.181818 -0.000000 -0.000000      8.000000
  0.272727  0.000000 -0.000000      8.000000
  0.363636 -0.000000 -0.000000      8.000000
  0.454545  0.000000 -0.000000      8.000000
  0.090909  0.090909 -0.000000      4.000000
  0.181818  0.090909 -0.000000     16.000000
  0.272727  0.090909 -0.000000     16.000000
  0.363636  0.090909 -0.000000     16.000000
  0.454545  0.090909 -0.000000     16.000000
 -0.454545  0.090909  0.000000     16.000000
 -0.363636  0.090909  0.000000     16.000000
 -0.272727  0.090909  0.000000     16.000000
 -0.181818  0.090909  0.000000     16.000000
 -0.090909  0.090909  0.000000      8.000000
  0.181818  0.181818 -0.000000      4.000000
  0.272727  0.181818 -0.000000     16.000000
  0.363636  0.181818 -0.000000     16.000000
  0.454545  0.181818 -0.000000     16.000000
 -0.454545  0.181818  0.000000     16.000000
 -0.363636  0.181818  0.000000     16.000000
 -0.272727  0.181818  0.000000     16.000000
 -0.181818  0.181818  0.000000      8.000000
  0.272727  0.272727 -0.000000      4.000000
  0.363636  0.272727 -0.000000     16.000000
  0.454545  0.272727 -0.000000     16.000000
 -0.454545  0.272727  0.000000     16.000000
 -0.363636  0.272727  0.000000     16.000000
 -0.272727  0.272727  0.000000      8.000000
  0.363636  0.363636 -0.000000      4.000000
  0.454545  0.363636 -0.000000     16.000000
 -0.454545  0.363636  0.000000     16.000000
 -0.363636  0.363636  0.000000      8.000000
  0.454545  0.454545 -0.000000      4.000000
 -0.454545  0.454545  0.000000      8.000000
  0.000000  0.090909  0.090909      2.000000
  0.181818  0.090909  0.090909      4.000000
  0.272727  0.090909  0.090909      8.000000
  0.363636  0.090909  0.090909      8.000000
  0.454545  0.090909  0.090909      8.000000
 -0.454545  0.090909  0.090909      8.000000
 -0.363636  0.090909  0.090909      8.000000
 -0.272727  0.090909  0.090909      8.000000
 -0.181818  0.090909  0.090909      8.000000
 -0.090909  0.090909  0.090909      8.000000
  0.272727  0.181818  0.090909      8.000000
  0.363636  0.181818  0.090909     16.000000
  0.454545  0.181818  0.090909     16.000000
 -0.454545  0.181818  0.090909     16.000000
 -0.363636  0.181818  0.090909     16.000000
 -0.272727  0.181818  0.090909     16.000000
 -0.181818  0.181818  0.090909     16.000000
 -0.090909  0.181818  0.090909      8.000000
  0.181818  0.272727  0.090909      8.000000
  0.363636  0.272727  0.090909      8.000000
  0.454545  0.272727  0.090909     16.000000
 -0.454545  0.272727  0.090909     16.000000
 -0.363636  0.272727  0.090909     16.000000
 -0.272727  0.272727  0.090909     16.000000
 -0.181818  0.272727  0.090909      8.000000
  0.181818  0.363636  0.090909     16.000000
  0.272727  0.363636  0.090909      8.000000
  0.454545  0.363636  0.090909      8.000000
 -0.454545  0.363636  0.090909     16.000000
 -0.363636  0.363636  0.090909     16.000000
 -0.272727  0.363636  0.090909      8.000000
  0.181818  0.454545  0.090909     16.000000
  0.272727  0.454545  0.090909     16.000000
  0.363636  0.454545  0.090909      8.000000
 -0.454545  0.454545  0.090909      8.000000
 -0.363636  0.454545  0.090909      8.000000
  0.181818 -0.454545  0.090909     16.000000
  0.272727 -0.454545  0.090909     16.000000
  0.363636 -0.454545  0.090909     16.000000
  0.454545 -0.454545  0.090909      8.000000
  0.272727 -0.363636  0.090909     16.000000
  0.363636 -0.363636  0.090909     16.000000
  0.454545 -0.363636  0.090909      8.000000
  0.272727 -0.272727  0.090909     16.000000
  0.363636 -0.272727  0.090909      8.000000
  0.272727 -0.181818  0.090909      8.000000
  0.000000  0.181818  0.181818      2.000000
  0.363636  0.181818  0.181818      4.000000
  0.454545  0.181818  0.181818      8.000000
 -0.454545  0.181818  0.181818      8.000000
 -0.363636  0.181818  0.181818      8.000000
 -0.272727  0.181818  0.181818      8.000000
 -0.181818  0.181818  0.181818      8.000000
 -0.090909  0.181818  0.181818      8.000000
  0.454545  0.272727  0.181818      8.000000
 -0.454545  0.272727  0.181818     16.000000
 -0.363636  0.272727  0.181818     16.000000
 -0.272727  0.272727  0.181818     16.000000
 -0.181818  0.272727  0.181818     16.000000
 -0.090909  0.272727  0.181818      8.000000
 -0.454545  0.363636  0.181818      8.000000
 -0.363636  0.363636  0.181818     16.000000
 -0.272727  0.363636  0.181818     16.000000
 -0.181818  0.363636  0.181818      8.000000
 -0.363636  0.454545  0.181818      8.000000
 -0.272727  0.454545  0.181818      8.000000
  0.363636 -0.454545  0.181818      8.000000
  0.363636 -0.363636  0.181818     16.000000
  0.454545 -0.363636  0.181818      8.000000
  0.454545 -0.272727  0.181818      8.000000
  0.000000  0.272727  0.272727      2.000000
 -0.454545  0.272727  0.272727      4.000000
 -0.363636  0.272727  0.272727      8.000000
 -0.272727  0.272727  0.272727      8.000000
 -0.181818  0.272727  0.272727      8.000000
 -0.090909  0.272727  0.272727      8.000000
 -0.363636  0.363636  0.272727      8.000000
 -0.272727  0.363636  0.272727     16.000000
 -0.181818  0.363636  0.272727     16.000000
 -0.090909  0.363636  0.272727      8.000000
 -0.272727  0.454545  0.272727      8.000000
 -0.181818  0.454545  0.272727      8.000000
  0.000000  0.363636  0.363636      2.000000
 -0.272727  0.363636  0.363636      4.000000
 -0.181818  0.363636  0.363636      8.000000
 -0.090909  0.363636  0.363636      8.000000
 -0.181818  0.454545  0.363636      8.000000
 -0.090909  0.454545  0.363636      8.000000
  0.000000  0.454545  0.454545      2.000000
 -0.090909  0.454545  0.454545      4.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016868  0.016868 -0.017125      8.000000
  0.033737  0.033737 -0.034250      8.000000
  0.050605  0.050605 -0.051375      8.000000
  0.067473  0.067473 -0.068501      8.000000
  0.084341  0.084341 -0.085626      8.000000
  0.000000  0.033737  0.000000      4.000000
  0.016868  0.050605 -0.017125     16.000000
  0.033737  0.067473 -0.034250     16.000000
  0.050605  0.084341 -0.051375     16.000000
  0.067473  0.101210 -0.068501     16.000000
 -0.101210 -0.067473  0.102751     16.000000
 -0.084341 -0.050605  0.085626     16.000000
 -0.067473 -0.033737  0.068501     16.000000
 -0.050605 -0.016868  0.051375     16.000000
 -0.033737  0.000000  0.034250      8.000000
  0.000000  0.067473  0.000000      4.000000
  0.016868  0.084341 -0.017125     16.000000
  0.033737  0.101210 -0.034250     16.000000
  0.050605  0.118078 -0.051375     16.000000
 -0.118078 -0.050605  0.119876     16.000000
 -0.101210 -0.033737  0.102751     16.000000
 -0.084341 -0.016868  0.085626     16.000000
 -0.067473  0.000000  0.068501      8.000000
  0.000000  0.101210  0.000000      4.000000
  0.016868  0.118078 -0.017125     16.000000
  0.033737  0.134946 -0.034250     16.000000
 -0.134946 -0.033737  0.137001     16.000000
 -0.118078 -0.016868  0.119876     16.000000
 -0.101210  0.000000  0.102751      8.000000
  0.000000  0.134946  0.000000      4.000000
  0.016868  0.151814 -0.017125     16.000000
 -0.151814 -0.016868  0.154126     16.000000
 -0.134946  0.000000  0.137001      8.000000
  0.000000  0.168683  0.000000      4.000000
 -0.168683 -0.000000  0.171251      8.000000
 -0.000000  0.000000  0.034250      2.000000
  0.033737  0.033737  0.000000      4.000000
  0.050605  0.050605 -0.017125      8.000000
  0.067473  0.067473 -0.034250      8.000000
  0.084341  0.084341 -0.051375      8.000000
 -0.084341 -0.084341  0.119876      8.000000
 -0.067473 -0.067473  0.102751      8.000000
 -0.050605 -0.050605  0.085626      8.000000
 -0.033737 -0.033737  0.068501      8.000000
 -0.016868 -0.016868  0.051375      8.000000
  0.033737  0.067473 -0.000000      8.000000
  0.050605  0.084341 -0.017125     16.000000
  0.067473  0.101210 -0.034250     16.000000
 -0.101210 -0.067473  0.137001     16.000000
 -0.084341 -0.050605  0.119876     16.000000
 -0.067473 -0.033737  0.102751     16.000000
 -0.050605 -0.016868  0.085626     16.000000
 -0.033737 -0.000000  0.068501      8.000000
 -0.000000  0.067473  0.034250      8.000000
  0.033737  0.101210 -0.000000      8.000000
  0.050605  0.118078 -0.017125     16.000000
 -0.118078 -0.050605  0.154126     16.000000
 -0.101210 -0.033737  0.137001     16.000000
 -0.084341 -0.016868  0.119876     16.000000
 -0.067473  0.000000  0.102751      8.000000
 -0.016868  0.084341  0.051375     16.000000
 -0.000000  0.101210  0.034250      8.000000
  0.033737  0.134946  0.000000      8.000000
 -0.134946 -0.033737  0.171251     16.000000
 -0.118078 -0.016868  0.154126     16.000000
 -0.101210  0.000000  0.137001      8.000000
 -0.033737  0.101210  0.068501     16.000000
 -0.016868  0.118078  0.051375     16.000000
 -0.000000  0.134946  0.034250      8.000000
 -0.151814 -0.016868  0.188376      8.000000
 -0.134946  0.000000  0.171251      8.000000
  0.134946 -0.067473 -0.102751     16.000000
  0.151814 -0.050605 -0.119876     16.000000
  0.168683 -0.033737 -0.137001     16.000000
  0.185551 -0.016868 -0.154126      8.000000
  0.134946 -0.033737 -0.102751     16.000000
  0.151814 -0.016868 -0.119876     16.000000
  0.168683  0.000000 -0.137001      8.000000
  0.118078 -0.016868 -0.085626     16.000000
  0.134946  0.000000 -0.102751      8.000000
  0.101210  0.000000 -0.068501      8.000000
 -0.000000  0.000000  0.068501      2.000000
  0.067473  0.067473  0.000000      4.000000
  0.084341  0.084341 -0.017125      8.000000
 -0.084341 -0.084341  0.154126      8.000000
 -0.067473 -0.067473  0.137001      8.000000
 -0.050605 -0.050605  0.119876      8.000000
 -0.033737 -0.033737  0.102751      8.000000
 -0.016868 -0.016868  0.085626      8.000000
  0.067473  0.101210  0.000000      8.000000
 -0.101210 -0.067473  0.171251     16.000000
 -0.084341 -0.050605  0.154126     16.000000
 -0.067473 -0.033737  0.137001     16.000000
 -0.050605 -0.016868  0.119876     16.000000
 -0.033737  0.000000  0.102751      8.000000
 -0.118078 -0.050605  0.188376      8.000000
 -0.101210 -0.033737  0.171251     16.000000
 -0.084341 -0.016868  0.154126     16.000000
 -0.067473 -0.000000  0.137001      8.000000
 -0.118078 -0.016868  0.188376      8.000000
 -0.101210 -0.000000  0.171251      8.000000
  0.185551 -0.050605 -0.119876      8.000000
  0.168683 -0.033737 -0.102751     16.000000
  0.185551 -0.016868 -0.119876      8.000000
  0.168683 -0.000000 -0.102751      8.000000
 -0.000000  0.000000  0.102751      2.000000
 -0.084341 -0.084341  0.188376      4.000000
 -0.067473 -0.067473  0.171251      8.000000
 -0.050605 -0.050605  0.154126      8.000000
 -0.033737 -0.033737  0.137001      8.000000
 -0.016868 -0.016868  0.119876      8.000000
 -0.084341 -0.050605  0.188376      8.000000
 -0.067473 -0.033737  0.171251     16.000000
 -0.050605 -0.016868  0.154126     16.000000
 -0.033737  0.000000  0.137001      8.000000
 -0.084341 -0.016868  0.188376      8.000000
 -0.067473  0.000000  0.171251      8.000000
 -0.000000  0.000000  0.137001      2.000000
 -0.050605 -0.050605  0.188376      4.000000
 -0.033737 -0.033737  0.171251      8.000000
 -0.016868 -0.016868  0.154126      8.000000
 -0.050605 -0.016868  0.188376      8.000000
 -0.033737  0.000000  0.171251      8.000000
 -0.000000  0.000000  0.171251      2.000000
 -0.016868 -0.016868  0.188376      4.000000
 
    WAVPRE:  cpu time    0.0780: real time    0.0816
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0200: real time    0.0204
    ORTHCH:  cpu time    0.1120: real time    0.1121
     LOOP+:  cpu time    3.4735: real time    3.4866


--------------------------------------- Iteration      7(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0081
    SETDIJ:  cpu time    0.0020: real time    0.0018
    EDDIAG:  cpu time    0.2110: real time    0.2112
  RMM-DIIS:  cpu time    0.2090: real time    0.2088
    ORTHCH:  cpu time    0.1080: real time    0.1086
       DOS:  cpu time    0.0020: real time    0.0014
    CHARGE:  cpu time    0.0200: real time    0.0204
    MIXING:  cpu time    0.0000: real time    0.0001
    --------------------------------------------
      LOOP:  cpu time    0.5579: real time    0.5605

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.2650828E-01  (-0.1369528E-01)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4574226 magnetization 

 Broyden mixing:
  rms(total) = 0.30586E-01    rms(broyden)= 0.30582E-01
  rms(prec ) = 0.10699E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.96987982
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.77974307
  PAW double counting   =        74.61099253      -39.65611638
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.81932633
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80918600 eV

  energy without entropy =      -10.80918600  energy(sigma->0) =      -10.80918600


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.2050: real time    0.2055
  RMM-DIIS:  cpu time    0.1680: real time    0.1682
    ORTHCH:  cpu time    0.1090: real time    0.1086
       DOS:  cpu time    0.0010: real time    0.0013
    CHARGE:  cpu time    0.0210: real time    0.0205
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5099: real time    0.5099

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.3026395E-02  (-0.8422111E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4584105 magnetization 

 Broyden mixing:
  rms(total) = 0.17937E-01    rms(broyden)= 0.17937E-01
  rms(prec ) = 0.61583E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3426
  2.3426

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.74506294
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78669354
  PAW double counting   =        74.91662599      -39.96924024
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.61197670
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80615961 eV

  energy without entropy =      -10.80615961  energy(sigma->0) =      -10.80615961


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2044
  RMM-DIIS:  cpu time    0.1680: real time    0.1686
    ORTHCH:  cpu time    0.1090: real time    0.1084
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0205
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5089: real time    0.5089

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) : 0.1508450E-02  (-0.1341716E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4600565 magnetization 

 Broyden mixing:
  rms(total) = 0.25099E-02    rms(broyden)= 0.25097E-02
  rms(prec ) = 0.58690E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1513
  2.0234  2.2792

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46172254
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.79096971
  PAW double counting   =        75.46947428      -40.53594178
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.34827418
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80465116 eV

  energy without entropy =      -10.80465116  energy(sigma->0) =      -10.80465116


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2037
  RMM-DIIS:  cpu time    0.1680: real time    0.1683
    ORTHCH:  cpu time    0.1090: real time    0.1086
       DOS:  cpu time    0.0010: real time    0.0014
    CHARGE:  cpu time    0.0210: real time    0.0205
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5079: real time    0.5081

 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.6252399E-05  (-0.2372178E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601155 magnetization 

 Broyden mixing:
  rms(total) = 0.64722E-03    rms(broyden)= 0.64718E-03
  rms(prec ) = 0.15065E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0113
  1.0480  2.2289  2.7571

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46871568
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78749087
  PAW double counting   =        75.61032218      -40.68210113
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35709367
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80465741 eV

  energy without entropy =      -10.80465741  energy(sigma->0) =      -10.80465741


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.2030: real time    0.2040
  RMM-DIIS:  cpu time    0.1640: real time    0.1635
    ORTHCH:  cpu time    0.1080: real time    0.1084
       DOS:  cpu time    0.0020: real time    0.0014
    CHARGE:  cpu time    0.0200: real time    0.0205
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.5039: real time    0.5036

 eigenvalue-minimisations  :  3872
 total energy-change (2. order) :-0.3178724E-05  (-0.2153076E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601288 magnetization 

 Broyden mixing:
  rms(total) = 0.11374E-03    rms(broyden)= 0.11372E-03
  rms(prec ) = 0.29528E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0343
  0.9968  2.7822  2.1791  2.1791

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46905196
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78656961
  PAW double counting   =        75.64825730      -40.72169955
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35816880
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80466059 eV

  energy without entropy =      -10.80466059  energy(sigma->0) =      -10.80466059


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0041
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.2040: real time    0.2044
  RMM-DIIS:  cpu time    0.1350: real time    0.1345
    ORTHCH:  cpu time    0.1090: real time    0.1086
       DOS:  cpu time    0.0010: real time    0.0014
    --------------------------------------------
      LOOP:  cpu time    0.4539: real time    0.4543

 eigenvalue-minimisations  :  2794
 total energy-change (2. order) : 0.5575705E-06  (-0.1526424E-07)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4601288 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.49322047
  Ewald energy   TEWEN  =      -231.45824020
  -Hartree energ DENC   =       -14.46780438
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.78690843
  PAW double counting   =        75.63223408      -40.70532490
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         8.35690917
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.80466003 eV

  energy without entropy =      -10.80466003  energy(sigma->0) =      -10.80466003


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.8162       2 -82.8162
 
 
 
 E-fermi :   6.3288     XC(G=0):  -9.5591     alpha+bet :-12.4444


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0057      2.00000
      2       6.1833      2.00000
      3       6.1833      2.00000
      4       6.2899      2.00000
      5       8.7655      0.00000
      6       8.8196      0.00000
      7       8.8196      0.00000
      8      10.0333      0.00000
      9      13.8280      0.00000
     10      14.1055      0.00000
     11      14.3319      0.00000
     12      17.4563      0.00000
     13      17.4563      0.00000
     14      17.9049      0.00000
     15      21.8835      0.00000
     16      29.5083      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.8939      2.00000
      2       5.2265      2.00000
      3       6.0049      2.00000
      4       6.0855      2.00000
      5       8.8836      0.00000
      6       9.0504      0.00000
      7       9.0742      0.00000
      8      10.7455      0.00000
      9      13.5212      0.00000
     10      13.7642      0.00000
     11      14.7973      0.00000
     12      17.2149      0.00000
     13      18.1306      0.00000
     14      18.4615      0.00000
     15      22.6112      0.00000
     16      28.4164      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.5623      2.00000
      2       3.5143      2.00000
      3       5.6431      2.00000
      4       5.7410      2.00000
      5       8.6299      0.00000
      6       9.5445      0.00000
      7       9.5450      0.00000
      8      12.2878      0.00000
      9      13.2021      0.00000
     10      13.3588      0.00000
     11      15.5201      0.00000
     12      17.1443      0.00000
     13      19.6563      0.00000
     14      19.9879      0.00000
     15      24.1682      0.00000
     16      26.1680      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0273      2.00000
      2       1.8068      2.00000
      3       5.3004      2.00000
      4       5.4191      2.00000
      5       8.2944      0.00000
      6       9.7427      0.00000
      7       9.8130      0.00000
      8      13.5816      0.00000
      9      13.5942      0.00000
     10      13.8045      0.00000
     11      15.3008      0.00000
     12      18.8283      0.00000
     13      21.3092      0.00000
     14      21.5199      0.00000
     15      23.9567      0.00000
     16      24.0686      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.3394      2.00000
      2       0.3013      2.00000
      3       5.0551      2.00000
      4       5.1912      2.00000
      5       8.0364      0.00000
      6       9.6303      0.00000
      7       9.7481      0.00000
      8      14.2064      0.00000
      9      14.6576      0.00000
     10      14.7425      0.00000
     11      16.0815      0.00000
     12      20.3733      0.00000
     13      20.5804      0.00000
     14      20.6995      0.00000
     15      23.2846      0.00000
     16      24.9275      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.6955      2.00000
      2      -0.7593      2.00000
      3       4.9301      2.00000
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      9      16.2015      0.00000
     10      16.3551      0.00000
     11      17.5426      0.00000
     12      18.3665      0.00000
     13      18.5396      0.00000
     14      20.1299      0.00000
     15      24.9226      0.00000
     16      27.3290      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.8577      2.00000
      2       5.4129      2.00000
      3       5.6816      2.00000
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      5       8.4929      0.00000
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      9      12.9940      0.00000
     10      14.1979      0.00000
     11      14.9454      0.00000
     12      17.7153      0.00000
     13      18.1470      0.00000
     14      18.1694      0.00000
     15      22.8491      0.00000
     16      28.3688      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.5999      2.00000
      2       4.0369      2.00000
      3       5.3065      2.00000
      4       5.4949      2.00000
      5       8.5442      0.00000
      6       9.6308      0.00000
      7      10.1152      0.00000
      8      11.3777      0.00000
      9      12.9376      0.00000
     10      14.1357      0.00000
     11      15.7791      0.00000
     12      17.4848      0.00000
     13      18.7788      0.00000
     14      19.6947      0.00000
     15      24.1838      0.00000
     16      25.9924      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1315      2.00000
      2       2.3721      2.00000
      3       4.9753      2.00000
      4       5.1071      2.00000
      5       8.7190      0.00000
      6       9.5788      0.00000
      7      10.4735      0.00000
      8      11.6177      0.00000
      9      14.2180      0.00000
     10      14.3306      0.00000
     11      15.9400      0.00000
     12      18.3250      0.00000
     13      20.2985      0.00000
     14      21.5012      0.00000
     15      23.5756      0.00000
     16      24.2992      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.4857      2.00000
      2       0.8140      2.00000
      3       4.6749      2.00000
      4       4.8210      2.00000
      5       8.6007      0.00000
      6       9.5250      0.00000
      7      10.3882      0.00000
      8      12.4557      0.00000
      9      15.2085      0.00000
     10      15.2402      0.00000
     11      16.1482      0.00000
     12      20.0279      0.00000
     13      20.1832      0.00000
     14      21.7134      0.00000
     15      23.4274      0.00000
     16      24.0073      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.7826      2.00000
      2      -0.4293      2.00000
      3       4.3727      2.00000
      4       4.7757      2.00000
      5       8.4754      0.00000
      6       9.4463      0.00000
      7      10.1296      0.00000
      8      13.7553      0.00000
      9      15.0960      0.00000
     10      16.6539      0.00000
     11      17.6622      0.00000
     12      18.1998      0.00000
     13      19.1903      0.00000
     14      21.6633      0.00000
     15      24.1167      0.00000
     16      25.6402      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.4906      2.00000
      2      -0.8582      2.00000
      3       4.1880      2.00000
      4       4.8828      2.00000
      5       8.4596      0.00000
      6       9.4964      0.00000
      7       9.9316      0.00000
      8      14.3944      0.00000
      9      15.7344      0.00000
     10      15.9889      0.00000
     11      17.4538      0.00000
     12      18.7385      0.00000
     13      19.2760      0.00000
     14      20.4110      0.00000
     15      25.4680      0.00000
     16      26.6873      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0002      2.00000
      2      -0.0760      2.00000
      3       4.1493      2.00000
      4       5.1183      2.00000
      5       8.5659      0.00000
      6       9.7027      0.00000
      7       9.8551      0.00000
      8      14.1038      0.00000
      9      14.3004      0.00000
     10      15.5265      0.00000
     11      17.8704      0.00000
     12      18.4632      0.00000
     13      20.7754      0.00000
     14      21.2622      0.00000
     15      23.2902      0.00000
     16      24.6684      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7103      2.00000
      2       1.3024      2.00000
      3       4.2732      2.00000
      4       5.4508      2.00000
      5       8.7818      0.00000
      6       9.7984      0.00000
      7       9.9552      0.00000
      8      13.0240      0.00000
      9      13.1244      0.00000
     10      15.6339      0.00000
     11      16.1796      0.00000
     12      19.3074      0.00000
     13      20.6475      0.00000
     14      22.4022      0.00000
     15      22.5366      0.00000
     16      24.3457      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3049      2.00000
      2       2.9079      2.00000
      3       4.5759      2.00000
      4       5.8225      2.00000
      5       9.0676      0.00000
      6       9.5191      0.00000
      7       9.8837      0.00000
      8      12.2583      0.00000
      9      12.6155      0.00000
     10      14.6577      0.00000
     11      16.0423      0.00000
     12      17.7025      0.00000
     13      19.4304      0.00000
     14      21.4841      0.00000
     15      23.8433      0.00000
     16      25.0413      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7072      2.00000
      2       4.4288      2.00000
      3       5.1513      2.00000
      4       6.1003      2.00000
      5       9.0859      0.00000
      6       9.2777      0.00000
      7       9.3266      0.00000
      8      11.5391      0.00000
      9      12.9655      0.00000
     10      13.8692      0.00000
     11      15.4624      0.00000
     12      17.4096      0.00000
     13      18.0428      0.00000
     14      19.7363      0.00000
     15      23.6788      0.00000
     16      26.3744      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4162      2.00000
      2       3.9112      2.00000
      3       4.8387      2.00000
      4       4.8881      2.00000
      5       7.8296      0.00000
      6      10.4289      0.00000
      7      10.8116      0.00000
      8      10.9726      0.00000
      9      13.2437      0.00000
     10      14.6836      0.00000
     11      16.4506      0.00000
     12      18.4763      0.00000
     13      18.8510      0.00000
     14      19.2457      0.00000
     15      25.3075      0.00000
     16      25.4723      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0179      2.00000
      2       2.7230      2.00000
      3       4.4150      2.00000
      4       4.5189      2.00000
      5       7.8894      0.00000
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      8      11.5216      0.00000
      9      14.5488      0.00000
     10      15.0119      0.00000
     11      17.2170      0.00000
     12      18.6133      0.00000
     13      19.5808      0.00000
     14      20.8968      0.00000
     15      23.5224      0.00000
     16      24.1782      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4271      2.00000
      2       1.3059      2.00000
      3       3.8539      2.00000
      4       4.3170      2.00000
      5       8.1210      0.00000
      6      10.3533      0.00000
      7      10.9729      0.00000
      8      11.5841      0.00000
      9      15.8083      0.00000
     10      16.3056      0.00000
     11      16.9507      0.00000
     12      19.8172      0.00000
     13      19.9196      0.00000
     14      21.6255      0.00000
     15      22.5527      0.00000
     16      23.9090      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.7170      2.00000
      2       0.0179      2.00000
      3       3.3523      2.00000
      4       4.2888      2.00000
      5       8.1595      0.00000
      6      10.7305      0.00000
      7      11.3043      0.00000
      8      11.6474      0.00000
      9      16.2845      0.00000
     10      17.1372      0.00000
     11      18.0279      0.00000
     12      18.2347      0.00000
     13      19.3424      0.00000
     14      22.7057      0.00000
     15      24.2926      0.00000
     16      24.7770      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.1990      2.00000
      2      -0.7368      2.00000
      3       2.9994      2.00000
      4       4.4291      2.00000
      5       8.2783      0.00000
      6      10.5877      0.00000
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      8      13.3314      0.00000
      9      15.4633      0.00000
     10      15.8820      0.00000
     11      17.9205      0.00000
     12      19.1743      0.00000
     13      20.1681      0.00000
     14      22.4897      0.00000
     15      25.2635      0.00000
     16      25.6202      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.4931      2.00000
      2      -0.3125      2.00000
      3       2.8352      2.00000
      4       4.7203      2.00000
      5       8.5625      0.00000
      6      10.5460      0.00000
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      9      14.2378      0.00000
     10      15.1374      0.00000
     11      17.7472      0.00000
     12      20.5170      0.00000
     13      21.1924      0.00000
     14      21.6988      0.00000
     15      22.9509      0.00000
     16      25.4137      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.1961      2.00000
      2       0.8556      2.00000
      3       2.9098      2.00000
      4       5.1230      2.00000
      5       8.9713      0.00000
      6      10.4637      0.00000
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      9      12.8368      0.00000
     10      16.5491      0.00000
     11      18.4265      0.00000
     12      18.5925      0.00000
     13      20.3591      0.00000
     14      22.4803      0.00000
     15      23.1447      0.00000
     16      24.3060      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.8386      2.00000
      2       2.0978      2.00000
      3       3.3993      2.00000
      4       5.5512      2.00000
      5       9.3492      0.00000
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     10      16.5837      0.00000
     11      17.0618      0.00000
     12      17.9356      0.00000
     13      20.2040      0.00000
     14      21.5948      0.00000
     15      23.1047      0.00000
     16      25.2332      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.6895      2.00000
      2       2.2535      2.00000
      3       4.1086      2.00000
      4       4.1389      2.00000
      5       7.2197      0.00000
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      9      15.0898      0.00000
     10      15.5293      0.00000
     11      18.3546      0.00000
     12      19.5815      0.00000
     13      19.7921      0.00000
     14      20.5051      0.00000
     15      23.3594      0.00000
     16      23.7095      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.1605      2.00000
      2       1.2748      2.00000
      3       3.5487      2.00000
      4       3.8887      2.00000
      5       7.3545      0.00000
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      9      16.2077      0.00000
     10      16.6517      0.00000
     11      18.5536      0.00000
     12      19.7811      0.00000
     13      20.2632      0.00000
     14      21.2817      0.00000
     15      22.3449      0.00000
     16      23.3612      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.4757      2.00000
      2       0.2164      2.00000
      3       2.7698      2.00000
      4       3.8290      2.00000
      5       7.5385      0.00000
      6       9.5336      0.00000
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      8      12.9149      0.00000
      9      17.4670      0.00000
     10      17.6011      0.00000
     11      18.1348      0.00000
     12      18.5616      0.00000
     13      20.1540      0.00000
     14      22.1645      0.00000
     15      23.2806      0.00000
     16      24.9789      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.8241      2.00000
      2      -0.6246      2.00000
      3       2.1603      2.00000
      4       3.9491      2.00000
      5       7.6799      0.00000
      6      11.0591      0.00000
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      8      12.6497      0.00000
      9      15.7885      0.00000
     10      16.1128      0.00000
     11      19.5144      0.00000
     12      19.5492      0.00000
     13      20.4610      0.00000
     14      24.0429      0.00000
     15      24.3703      0.00000
     16      24.8024      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.8659      2.00000
      2      -0.5539      2.00000
      3       1.8527      2.00000
      4       4.2362      2.00000
      5       7.9923      0.00000
      6      11.9901      0.00000
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      8      13.1994      0.00000
      9      14.0176      0.00000
     10      14.3514      0.00000
     11      19.4328      0.00000
     12      21.5340      0.00000
     13      21.8252      0.00000
     14      22.5611      0.00000
     15      23.3176      0.00000
     16      24.3829      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5276      2.00000
      2       0.2388      2.00000
      3       2.0116      2.00000
      4       4.6555      2.00000
      5       8.4724      0.00000
      6      11.4781      0.00000
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      8      12.7889      0.00000
      9      13.0210      0.00000
     10      15.2090      0.00000
     11      19.3810      0.00000
     12      20.1226      0.00000
     13      20.9860      0.00000
     14      23.1692      0.00000
     15      23.7142      0.00000
     16      24.1161      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.6931      2.00000
      2       0.5863      2.00000
      3       3.5976      2.00000
      4       3.6141      2.00000
      5       6.8439      0.00000
      6       7.8270      0.00000
      7      14.0755      0.00000
      8      14.3823      0.00000
      9      16.5777      0.00000
     10      17.1925      0.00000
     11      19.4934      0.00000
     12      19.7696      0.00000
     13      20.0421      0.00000
     14      21.9037      0.00000
     15      22.1689      0.00000
     16      23.2089      0.00000

 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.0510      2.00000
      2      -0.2497      2.00000
      3       3.0308      2.00000
      4       3.4996      2.00000
      5       7.0477      0.00000
      6       7.8794      0.00000
      7      14.4039      0.00000
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      9      17.7631      0.00000
     10      17.9837      0.00000
     11      18.3033      0.00000
     12      18.7224      0.00000
     13      21.0901      0.00000
     14      21.6216      0.00000
     15      22.1794      0.00000
     16      24.3351      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.3437      2.00000
      2      -0.9853      2.00000
      3       2.1908      2.00000
      4       3.5773      2.00000
      5       7.2126      0.00000
      6       9.1390      0.00000
      7      14.1584      0.00000
      8      14.5566      0.00000
      9      16.0135      0.00000
     10      16.3872      0.00000
     11      19.6764      0.00000
     12      20.4630      0.00000
     13      21.6797      0.00000
     14      21.8737      0.00000
     15      22.6734      0.00000
     16      24.5911      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -2.2498      2.00000
      2      -1.0300      2.00000
      3       1.6617      2.00000
      4       3.8320      2.00000
      5       7.5066      0.00000
      6      10.9145      0.00000
      7      13.5356      0.00000
      8      14.1356      0.00000
      9      14.3653      0.00000
     10      14.6976      0.00000
     11      21.2565      0.00000
     12      21.5698      0.00000
     13      22.0703      0.00000
     14      22.0810      0.00000
     15      22.3383      0.00000
     16      24.1678      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.4523      2.00000
      2      -1.0068      2.00000
      3       3.3387      2.00000
      4       3.3440      2.00000
      5       6.7859      0.00000
      6       7.0996      0.00000
      7      15.8284      0.00000
      8      16.1766      0.00000
      9      17.7936      0.00000
     10      18.0351      0.00000
     11      18.1689      0.00000
     12      19.0230      0.00000
     13      19.7550      0.00000
     14      20.3569      0.00000
     15      24.2749      0.00000
     16      25.1615      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -1.7797      2.00000
      2      -1.6715      2.00000
      3       2.8611      2.00000
      4       3.3681      2.00000
      5       6.9634      0.00000
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      7      15.9095      0.00000
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     10      16.7197      0.00000
     11      19.4947      0.00000
     12      19.6339      0.00000
     13      20.1674      0.00000
     14      20.6689      0.00000
     15      24.3303      0.00000
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 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.2742      2.00000
      2       3.1833      2.00000
      3       4.3589      2.00000
      4       5.3344      2.00000
      5       8.6007      0.00000
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     10      14.7204      0.00000
     11      16.6883      0.00000
     12      17.9766      0.00000
     13      19.2569      0.00000
     14      20.9046      0.00000
     15      23.4895      0.00000
     16      25.4246      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7452      2.00000
      2       1.8287      2.00000
      3       3.7889      2.00000
      4       4.9895      2.00000
      5       8.9249      0.00000
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     10      16.2847      0.00000
     11      16.8507      0.00000
     12      18.8353      0.00000
     13      20.3031      0.00000
     14      21.8036      0.00000
     15      22.4884      0.00000
     16      24.6985      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.0606      2.00000
      2       0.4329      2.00000
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      9      15.0256      0.00000
     10      16.2370      0.00000
     11      18.0626      0.00000
     12      18.3230      0.00000
     13      20.8845      0.00000
     14      21.9253      0.00000
     15      23.5299      0.00000
     16      24.5895      0.00000

 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4078      2.00000
      2      -0.6027      2.00000
      3       3.4249      2.00000
      4       4.4291      2.00000
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      7      11.0782      0.00000
      8      13.6020      0.00000
      9      15.0380      0.00000
     10      16.1969      0.00000
     11      17.7007      0.00000
     12      19.1614      0.00000
     13      19.9946      0.00000
     14      22.1099      0.00000
     15      24.5321      0.00000
     16      26.1667      0.00000

 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5568      2.00000
      2       1.8743      2.00000
      3       3.6174      2.00000
      4       4.3020      2.00000
      5       8.0163      0.00000
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      7      11.2134      0.00000
      8      12.4870      0.00000
      9      14.9837      0.00000
     10      16.3832      0.00000
     11      17.9666      0.00000
     12      18.9835      0.00000
     13      20.2638      0.00000
     14      21.7957      0.00000
     15      21.8397      0.00000
     16      24.2388      0.00000

 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9175      2.00000
      2       0.7655      2.00000
      3       3.0143      2.00000
      4       3.9741      2.00000
      5       8.3652      0.00000
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      7      10.8915      0.00000
      8      12.8865      0.00000
      9      15.8100      0.00000
     10      17.0746      0.00000
     11      18.3296      0.00000
     12      18.9843      0.00000
     13      20.7777      0.00000
     14      21.4029      0.00000
     15      22.9726      0.00000
     16      24.8414      0.00000

 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.2099      2.00000
      2      -0.2908      2.00000
      3       2.5929      2.00000
      4       3.8378      2.00000
      5       8.4844      0.00000
      6      10.4258      0.00000
      7      11.4396      0.00000
      8      12.8426      0.00000
      9      15.2923      0.00000
     10      17.1376      0.00000
     11      18.3314      0.00000
     12      19.5917      0.00000
     13      20.2917      0.00000
     14      23.1247      0.00000
     15      24.5979      0.00000
     16      25.2609      0.00000

 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9081      2.00000
      2      -0.6778      2.00000
      3       2.3285      2.00000
      4       3.9594      2.00000
      5       8.7037      0.00000
      6      10.1611      0.00000
      7      12.6981      0.00000
      8      13.1266      0.00000
      9      13.5488      0.00000
     10      16.5627      0.00000
     11      18.6141      0.00000
     12      19.6551      0.00000
     13      22.1554      0.00000
     14      22.8411      0.00000
     15      23.8597      0.00000
     16      25.0718      0.00000

 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.4320      2.00000
      2       0.0426      2.00000
      3       2.2914      2.00000
      4       4.2845      2.00000
      5       9.0878      0.00000
      6       9.9657      0.00000
      7      11.7587      0.00000
      8      12.5973      0.00000
      9      14.9837      0.00000
     10      15.2631      0.00000
     11      18.7712      0.00000
     12      20.8347      0.00000
     13      21.1078      0.00000
     14      21.6432      0.00000
     15      24.0422      0.00000
     16      24.5033      0.00000

 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1377      2.00000
      2       1.0722      2.00000
      3       2.6644      2.00000
      4       4.7190      2.00000
      5       9.5437      0.00000
      6       9.5724      0.00000
      7      10.8598      0.00000
      8      12.1435      0.00000
      9      13.9832      0.00000
     10      16.9778      0.00000
     11      18.6581      0.00000
     12      18.7828      0.00000
     13      20.0110      0.00000
     14      22.3767      0.00000
     15      22.8249      0.00000
     16      25.3437      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5779      2.00000
      2       0.4617      2.00000
      3       3.1225      2.00000
      4       3.4875      2.00000
      5       7.6385      0.00000
      6       8.4559      0.00000
      7      12.5980      0.00000
      8      14.3272      0.00000
      9      16.6902      0.00000
     10      17.5734      0.00000
     11      18.3005      0.00000
     12      19.8520      0.00000
     13      20.7117      0.00000
     14      21.3687      0.00000
     15      22.7156      0.00000
     16      23.4648      0.00000

 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8684      2.00000
      2      -0.3790      2.00000
      3       2.4169      2.00000
      4       3.3226      2.00000
      5       7.9639      0.00000
      6       9.3339      0.00000
      7      12.2274      0.00000
      8      14.7158      0.00000
      9      15.5448      0.00000
     10      17.7608      0.00000
     11      18.7520      0.00000
     12      20.3517      0.00000
     13      21.0428      0.00000
     14      21.8491      0.00000
     15      23.5118      0.00000
     16      24.3260      0.00000

 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3557      2.00000
      2      -0.9072      2.00000
      3       1.8393      2.00000
      4       3.4644      2.00000
      5       8.1743      0.00000
      6      10.9286      0.00000
      7      11.9473      0.00000
      8      13.5570      0.00000
      9      14.6033      0.00000
     10      16.7389      0.00000
     11      19.7259      0.00000
     12      20.7820      0.00000
     13      22.2318      0.00000
     14      22.5948      0.00000
     15      23.7790      0.00000
     16      24.7427      0.00000

 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.7415      2.00000
      2      -0.4981      2.00000
      3       1.7103      2.00000
      4       3.8111      2.00000
      5       8.5581      0.00000
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     10      15.3344      0.00000
     11      20.5338      0.00000
     12      21.1512      0.00000
     13      21.2405      0.00000
     14      23.2930      0.00000
     15      23.2939      0.00000
     16      24.1541      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.3708      2.00000
      2      -0.9931      2.00000
      3       2.9167      2.00000
      4       3.0285      2.00000
      5       7.5521      0.00000
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      7      14.1458      0.00000
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      9      16.2889      0.00000
     10      18.0022      0.00000
     11      18.7332      0.00000
     12      20.2581      0.00000
     13      20.3146      0.00000
     14      21.7758      0.00000
     15      23.0772      0.00000
     16      24.6368      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.8267      2.00000
      2      -1.4567      2.00000
      3       2.1889      2.00000
      4       3.1207      2.00000
      5       7.8215      0.00000
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      9      16.3131      0.00000
     10      16.9882      0.00000
     11      19.6917      0.00000
     12      20.5125      0.00000
     13      21.9361      0.00000
     14      22.6852      0.00000
     15      23.1770      0.00000
     16      23.6353      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.2488      2.00000
      2       0.0854      2.00000
      3       2.3298      2.00000
      4       3.4658      2.00000
      5       9.3418      0.00000
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     10      15.9956      0.00000
     11      20.1778      0.00000
     12      20.5284      0.00000
     13      20.8334      0.00000
     14      21.2023      0.00000
     15      23.4902      0.00000
     16      24.5629      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.5740      2.00000
      2      -0.6414      2.00000
      3       2.0147      2.00000
      4       3.1440      2.00000
      5       9.6400      0.00000
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     10      17.1627      0.00000
     11      19.2493      0.00000
     12      20.5985      0.00000
     13      22.2146      0.00000
     14      22.8924      0.00000
     15      23.5955      0.00000
     16      25.3768      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.1604      2.00000
      2      -1.0089      2.00000
      3       2.2579      2.00000
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      5       9.2390      0.00000
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      9      16.2100      0.00000
     10      17.6765      0.00000
     11      19.1420      0.00000
     12      20.5107      0.00000
     13      22.1666      0.00000
     14      22.8643      0.00000
     15      23.4537      0.00000
     16      24.8163      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -1.9222      2.00000
      2      -1.1838      2.00000
      3       1.9152      2.00000
      4       2.6853      2.00000
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      9      16.2095      0.00000
     10      17.3590      0.00000
     11      19.3914      0.00000
     12      20.6156      0.00000
     13      22.1479      0.00000
     14      23.3259      0.00000
     15      24.7191      0.00000
     16      24.8249      0.00000

 k-point    57 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.8537      2.00000
      2       5.5118      2.00000
      3       5.6607      2.00000
      4       5.6607      2.00000
      5       8.4207      0.00000
      6       9.5203      0.00000
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     10      13.9939      0.00000
     11      14.9735      0.00000
     12      17.7272      0.00000
     13      17.7272      0.00000
     14      18.3613      0.00000
     15      23.0599      0.00000
     16      28.3507      0.00000

 k-point    58 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7111      2.00000
      2       4.4212      2.00000
      3       5.2334      2.00000
      4       6.0272      2.00000
      5       9.1214      0.00000
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      8      11.5582      0.00000
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     10      13.8499      0.00000
     11      15.4625      0.00000
     12      17.4868      0.00000
     13      18.4274      0.00000
     14      19.4683      0.00000
     15      23.5392      0.00000
     16      25.9630      0.00000

 k-point    59 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3124      2.00000
      2       2.9232      2.00000
      3       4.6549      2.00000
      4       5.7319      2.00000
      5       9.0455      0.00000
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      8      12.3252      0.00000
      9      12.5230      0.00000
     10      14.5216      0.00000
     11      16.1531      0.00000
     12      17.7947      0.00000
     13      19.7188      0.00000
     14      21.2157      0.00000
     15      23.5054      0.00000
     16      25.0037      0.00000

 k-point    60 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7206      2.00000
      2       1.3235      2.00000
      3       4.3661      2.00000
      4       5.3448      2.00000
      5       8.7375      0.00000
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     10      15.7939      0.00000
     11      15.9910      0.00000
     12      19.3353      0.00000
     13      20.5366      0.00000
     14      22.4960      0.00000
     15      22.5812      0.00000
     16      24.5300      0.00000

 k-point    61 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.0106      2.00000
      2      -0.0571      2.00000
      3       4.2570      2.00000
      4       5.0030      2.00000
      5       8.4973      0.00000
      6       9.7751      0.00000
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      8      14.1691      0.00000
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     10      15.6179      0.00000
     11      17.6468      0.00000
     12      18.2634      0.00000
     13      20.9835      0.00000
     14      21.3573      0.00000
     15      23.4671      0.00000
     16      24.8930      0.00000

 k-point    62 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.4919      2.00000
      2      -0.8522      2.00000
      3       4.3048      2.00000
      4       4.7651      2.00000
      5       8.3726      0.00000
      6       9.6424      0.00000
      7       9.8370      0.00000
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     10      16.0486      0.00000
     11      17.5092      0.00000
     12      18.9144      0.00000
     13      19.1568      0.00000
     14      20.3958      0.00000
     15      25.6548      0.00000
     16      26.7352      0.00000

 k-point    63 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.7705      2.00000
      2      -0.4400      2.00000
      3       4.4904      2.00000
      4       4.6606      2.00000
      5       8.3823      0.00000
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     10      16.7841      0.00000
     11      17.8314      0.00000
     12      18.2921      0.00000
     13      19.2466      0.00000
     14      21.4120      0.00000
     15      24.0974      0.00000
     16      25.4092      0.00000

 k-point    64 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.4721      2.00000
      2       0.8000      2.00000
      3       4.7057      2.00000
      4       4.7909      2.00000
      5       8.5090      0.00000
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      7      10.3007      0.00000
      8      12.3493      0.00000
      9      15.1966      0.00000
     10      15.2899      0.00000
     11      16.2510      0.00000
     12      20.1033      0.00000
     13      20.2327      0.00000
     14      21.7340      0.00000
     15      23.2659      0.00000
     16      23.9242      0.00000

 k-point    65 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.1202      2.00000
      2       2.3639      2.00000
      3       4.9044      2.00000
      4       5.1685      2.00000
      5       8.6208      0.00000
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      7      10.4322      0.00000
      8      11.6284      0.00000
      9      14.2602      0.00000
     10      14.3649      0.00000
     11      15.8925      0.00000
     12      18.3336      0.00000
     13      20.1381      0.00000
     14      21.5434      0.00000
     15      23.7244      0.00000
     16      24.4221      0.00000

 k-point    66 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.5921      2.00000
      2       4.0487      2.00000
      3       5.2418      2.00000
      4       5.5243      2.00000
      5       8.4486      0.00000
      6       9.6747      0.00000
      7      10.1241      0.00000
      8      11.4082      0.00000
      9      13.1513      0.00000
     10      13.9791      0.00000
     11      15.8048      0.00000
     12      17.4043      0.00000
     13      18.6057      0.00000
     14      19.6968      0.00000
     15      24.4726      0.00000
     16      26.1855      0.00000

 k-point    67 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.3929      2.00000
      2      -0.6201      2.00000
      3       3.3961      2.00000
      4       4.4632      2.00000
      5       8.8924      0.00000
      6       9.3588      0.00000
      7      11.0661      0.00000
      8      13.4260      0.00000
      9      15.1671      0.00000
     10      16.2935      0.00000
     11      17.6860      0.00000
     12      19.1357      0.00000
     13      20.2265      0.00000
     14      21.8237      0.00000
     15      24.2772      0.00000
     16      26.1194      0.00000

 k-point    68 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.0362      2.00000
      2       0.4035      2.00000
      3       3.4666      2.00000
      4       4.7102      2.00000
      5       8.8786      0.00000
      6       9.6407      0.00000
      7      11.1311      0.00000
      8      11.9306      0.00000
      9      15.0845      0.00000
     10      16.2087      0.00000
     11      18.2835      0.00000
     12      18.4411      0.00000
     13      20.8232      0.00000
     14      21.7944      0.00000
     15      23.3080      0.00000
     16      24.3808      0.00000

 k-point    69 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7237      2.00000
      2       1.8086      2.00000
      3       3.7034      2.00000
      4       5.0760      2.00000
      5       8.8140      0.00000
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      7      10.9634      0.00000
      8      11.1840      0.00000
      9      13.9370      0.00000
     10      16.4696      0.00000
     11      16.7329      0.00000
     12      18.7090      0.00000
     13      20.3630      0.00000
     14      21.8391      0.00000
     15      22.5382      0.00000
     16      24.7195      0.00000

 k-point    70 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.2589      2.00000
      2       3.1911      2.00000
      3       4.2640      2.00000
      4       5.3967      2.00000
      5       8.4863      0.00000
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      8      11.0703      0.00000
      9      13.4472      0.00000
     10      14.8141      0.00000
     11      16.6833      0.00000
     12      17.7888      0.00000
     13      19.0216      0.00000
     14      21.0382      0.00000
     15      23.8103      0.00000
     16      25.6188      0.00000

 k-point    71 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.2706      2.00000
      2       3.1687      2.00000
      3       4.2960      2.00000
      4       5.4025      2.00000
      5       8.6140      0.00000
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      8      10.9997      0.00000
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     10      14.8916      0.00000
     11      16.6252      0.00000
     12      17.8491      0.00000
     13      18.9849      0.00000
     14      21.2242      0.00000
     15      23.8525      0.00000
     16      25.2403      0.00000

 k-point    72 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7387      2.00000
      2       1.8039      2.00000
      3       3.7155      2.00000
      4       5.0649      2.00000
      5       8.9630      0.00000
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      7      10.9515      0.00000
      8      11.1332      0.00000
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     10      16.4824      0.00000
     11      16.7055      0.00000
     12      18.6968      0.00000
     13      20.3459      0.00000
     14      21.8729      0.00000
     15      22.5006      0.00000
     16      24.5927      0.00000

 k-point    73 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.5537      2.00000
      2       1.8564      2.00000
      3       3.5684      2.00000
      4       4.3445      2.00000
      5       8.0386      0.00000
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     10      16.6177      0.00000
     11      17.9178      0.00000
     12      18.8549      0.00000
     13      20.2695      0.00000
     14      21.7715      0.00000
     15      21.9260      0.00000
     16      24.1626      0.00000

 k-point    74 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0528      2.00000
      2       0.4081      2.00000
      3       3.4485      2.00000
      4       4.7081      2.00000
      5       9.0493      0.00000
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      7      11.0243      0.00000
      8      12.1014      0.00000
      9      14.9189      0.00000
     10      16.1679      0.00000
     11      18.2745      0.00000
     12      18.4557      0.00000
     13      20.6207      0.00000
     14      21.7541      0.00000
     15      23.3280      0.00000
     16      24.5760      0.00000

 k-point    75 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9127      2.00000
      2       0.7411      2.00000
      3       2.9629      2.00000
      4       4.0062      2.00000
      5       8.4097      0.00000
      6       9.9919      0.00000
      7      11.1548      0.00000
      8      12.6545      0.00000
      9      15.6551      0.00000
     10      17.2240      0.00000
     11      18.5785      0.00000
     12      18.9012      0.00000
     13      20.5316      0.00000
     14      21.1790      0.00000
     15      22.8336      0.00000
     16      24.7114      0.00000

 k-point    76 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5759      2.00000
      2       0.4508      2.00000
      3       3.0855      2.00000
      4       3.5019      2.00000
      5       7.6661      0.00000
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      7      12.9075      0.00000
      8      14.0362      0.00000
      9      16.4446      0.00000
     10      17.8734      0.00000
     11      18.5920      0.00000
     12      19.5746      0.00000
     13      20.5360      0.00000
     14      21.1395      0.00000
     15      22.7051      0.00000
     16      23.3401      0.00000

 k-point    77 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.4050      2.00000
      2      -0.6194      2.00000
      3       3.3422      2.00000
      4       4.4918      2.00000
      5       9.0939      0.00000
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      7      10.9360      0.00000
      8      13.6432      0.00000
      9      15.1846      0.00000
     10      16.1456      0.00000
     11      17.5366      0.00000
     12      18.9014      0.00000
     13      20.2171      0.00000
     14      22.0794      0.00000
     15      24.2232      0.00000
     16      26.1487      0.00000

 k-point    78 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.2072      2.00000
      2      -0.3132      2.00000
      3       2.5568      2.00000
      4       3.8416      2.00000
      5       8.5536      0.00000
      6      10.6643      0.00000
      7      11.5077      0.00000
      8      12.6079      0.00000
      9      15.5684      0.00000
     10      16.9880      0.00000
     11      18.0498      0.00000
     12      19.3524      0.00000
     13      20.5555      0.00000
     14      22.8315      0.00000
     15      24.4944      0.00000
     16      25.0140      0.00000

 k-point    79 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.8671      2.00000
      2      -0.3940      2.00000
      3       2.3945      2.00000
      4       3.3070      2.00000
      5       8.0182      0.00000
      6       9.3750      0.00000
      7      12.5418      0.00000
      8      14.4142      0.00000
      9      15.8825      0.00000
     10      17.5088      0.00000
     11      18.3897      0.00000
     12      20.5827      0.00000
     13      20.9302      0.00000
     14      21.5112      0.00000
     15      23.6369      0.00000
     16      24.2121      0.00000

 k-point    80 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.3709      2.00000
      2      -0.9972      2.00000
      3       2.8924      2.00000
      4       3.0204      2.00000
      5       7.5818      0.00000
      6       7.8388      0.00000
      7      14.4944      0.00000
      8      15.7992      0.00000
      9      16.3154      0.00000
     10      17.6502      0.00000
     11      18.3973      0.00000
     12      19.9180      0.00000
     13      20.5820      0.00000
     14      22.1714      0.00000
     15      22.9976      0.00000
     16      24.4589      0.00000

 k-point    81 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9187      2.00000
      2      -0.6873      2.00000
      3       2.3153      2.00000
      4       3.9323      2.00000
      5       8.7934      0.00000
      6      10.4040      0.00000
      7      12.4741      0.00000
      8      13.2316      0.00000
      9      13.7566      0.00000
     10      16.2849      0.00000
     11      18.4991      0.00000
     12      19.4030      0.00000
     13      22.4220      0.00000
     14      22.8292      0.00000
     15      23.7655      0.00000
     16      24.7683      0.00000

 k-point    82 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3640      2.00000
      2      -0.9179      2.00000
      3       1.8348      2.00000
      4       3.4239      2.00000
      5       8.2547      0.00000
      6      10.9972      0.00000
      7      12.2229      0.00000
      8      13.8552      0.00000
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     10      16.4023      0.00000
     11      19.4634      0.00000
     12      20.6506      0.00000
     13      22.1106      0.00000
     14      22.7058      0.00000
     15      23.6865      0.00000
     16      24.9751      0.00000

 k-point    83 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.8328      2.00000
      2      -1.4603      2.00000
      3       2.1754      2.00000
      4       3.0882      2.00000
      5       7.8793      0.00000
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     10      16.6248      0.00000
     11      19.3445      0.00000
     12      20.1671      0.00000
     13      22.2541      0.00000
     14      23.0416      0.00000
     15      23.1661      0.00000
     16      23.5188      0.00000

 k-point    84 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.4505      2.00000
      2       0.0372      2.00000
      3       2.3003      2.00000
      4       4.2386      2.00000
      5       9.1892      0.00000
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     10      15.2979      0.00000
     11      18.7172      0.00000
     12      20.8472      0.00000
     13      20.9302      0.00000
     14      21.4875      0.00000
     15      24.2119      0.00000
     16      24.3471      0.00000

 k-point    85 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.7596      2.00000
      2      -0.5057      2.00000
      3       1.7207      2.00000
      4       3.7578      2.00000
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     10      15.0401      0.00000
     11      20.4969      0.00000
     12      20.9452      0.00000
     13      21.0293      0.00000
     14      23.0725      0.00000
     15      23.3250      0.00000
     16      24.4571      0.00000

 k-point    86 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1556      2.00000
      2       1.0595      2.00000
      3       2.6895      2.00000
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     10      16.9845      0.00000
     11      18.6601      0.00000
     12      18.7835      0.00000
     13      19.9684      0.00000
     14      22.3119      0.00000
     15      22.5884      0.00000
     16      25.5068      0.00000

 k-point    87 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.4006      2.00000
      2       4.0132      2.00000
      3       4.7853      2.00000
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      5       7.7258      0.00000
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     10      14.4963      0.00000
     11      16.5395      0.00000
     12      18.5220      0.00000
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     14      19.2172      0.00000
     15      25.7310      0.00000
     16      25.8256      0.00000

 k-point    88 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.8526      2.00000
      2       2.1306      2.00000
      3       3.4832      2.00000
      4       5.4432      2.00000
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     10      16.3930      0.00000
     11      17.1616      0.00000
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     13      20.1854      0.00000
     14      21.4722      0.00000
     15      22.8967      0.00000
     16      25.4249      0.00000

 k-point    89 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.2141      2.00000
      2       0.8991      2.00000
      3       3.0011      2.00000
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     10      16.5428      0.00000
     11      18.3502      0.00000
     12      18.5310      0.00000
     13      20.4802      0.00000
     14      22.5971      0.00000
     15      23.2870      0.00000
     16      24.5031      0.00000

 k-point    90 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.5075      2.00000
      2      -0.2752      2.00000
      3       2.9373      2.00000
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      8      14.0906      0.00000
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     10      14.9668      0.00000
     11      17.8779      0.00000
     12      20.2756      0.00000
     13      21.4187      0.00000
     14      21.8684      0.00000
     15      23.2673      0.00000
     16      25.4441      0.00000

 k-point    91 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.1873      2.00000
      2      -0.7296      2.00000
      3       3.1053      2.00000
      4       4.3108      2.00000
      5       8.1580      0.00000
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     10      15.9060      0.00000
     11      18.0441      0.00000
     12      19.3458      0.00000
     13      20.3200      0.00000
     14      22.2106      0.00000
     15      25.5364      0.00000
     16      25.7668      0.00000

 k-point    92 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.6873      2.00000
      2       0.0073      2.00000
      3       3.4479      2.00000
      4       4.1774      2.00000
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      6      10.8513      0.00000
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      9      16.3271      0.00000
     10      17.2576      0.00000
     11      18.1793      0.00000
     12      18.3070      0.00000
     13      19.4018      0.00000
     14      22.7047      0.00000
     15      24.1635      0.00000
     16      24.5261      0.00000

 k-point    93 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.3984      2.00000
      2       1.3077      2.00000
      3       3.9174      2.00000
      4       4.2148      2.00000
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     10      16.4104      0.00000
     11      16.9707      0.00000
     12      19.8782      0.00000
     13      19.9351      0.00000
     14      21.7195      0.00000
     15      22.4729      0.00000
     16      23.8774      0.00000

 k-point    94 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9950      2.00000
      2       2.7658      2.00000
      3       4.4169      2.00000
      4       4.4237      2.00000
      5       7.7700      0.00000
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     10      14.8825      0.00000
     11      17.2613      0.00000
     12      18.5938      0.00000
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     14      20.8421      0.00000
     15      23.6724      0.00000
     16      24.2219      0.00000

 k-point    95 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.1668      2.00000
      2       1.1051      2.00000
      3       2.7625      2.00000
      4       4.6024      2.00000
      5       9.4653      0.00000
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     10      16.8586      0.00000
     11      18.4613      0.00000
     12      19.0676      0.00000
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     14      22.4102      0.00000
     15      22.8837      0.00000
     16      25.4526      0.00000

 k-point    96 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.4613      2.00000
      2       0.0866      2.00000
      3       2.3795      2.00000
      4       4.1667      2.00000
      5       8.9819      0.00000
      6      10.0913      0.00000
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     10      15.0942      0.00000
     11      18.9628      0.00000
     12      20.5901      0.00000
     13      21.2804      0.00000
     14      21.8025      0.00000
     15      24.2671      0.00000
     16      24.6004      0.00000

 k-point    97 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.9120      2.00000
      2      -0.6555      2.00000
      3       2.3921      2.00000
      4       3.8677      2.00000
      5       8.6008      0.00000
      6      10.2770      0.00000
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     10      16.4605      0.00000
     11      18.7444      0.00000
     12      19.6980      0.00000
     13      22.4614      0.00000
     14      22.5694      0.00000
     15      24.1389      0.00000
     16      25.0004      0.00000

 k-point    98 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.1747      2.00000
      2      -0.3019      2.00000
      3       2.6036      2.00000
      4       3.7981      2.00000
      5       8.3836      0.00000
      6      10.5242      0.00000
      7      11.2876      0.00000
      8      12.7800      0.00000
      9      15.4942      0.00000
     10      17.2088      0.00000
     11      18.2326      0.00000
     12      19.5647      0.00000
     13      20.5531      0.00000
     14      22.9466      0.00000
     15      24.3947      0.00000
     16      25.1725      0.00000

 k-point    99 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.8779      2.00000
      2       0.7682      2.00000
      3       2.9489      2.00000
      4       3.9901      2.00000
      5       8.2509      0.00000
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      7      10.9996      0.00000
      8      12.8168      0.00000
      9      15.8236      0.00000
     10      17.2139      0.00000
     11      18.5486      0.00000
     12      18.9255      0.00000
     13      20.7150      0.00000
     14      21.3320      0.00000
     15      22.9290      0.00000
     16      24.8112      0.00000

 k-point   100 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.5238      2.00000
      2       1.9113      2.00000
      3       3.5099      2.00000
      4       4.3192      2.00000
      5       7.8829      0.00000
      6       9.4983      0.00000
      7      11.3319      0.00000
      8      12.4220      0.00000
      9      14.9197      0.00000
     10      16.5604      0.00000
     11      18.0076      0.00000
     12      18.8333      0.00000
     13      20.3434      0.00000
     14      21.8006      0.00000
     15      21.9068      0.00000
     16      24.2056      0.00000

 k-point   101 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.5459      2.00000
      2      -0.6564      2.00000
      3       1.9697      2.00000
      4       3.1773      2.00000
      5       9.5585      0.00000
      6      10.0528      0.00000
      7      11.2638      0.00000
      8      13.3533      0.00000
      9      14.6229      0.00000
     10      17.2551      0.00000
     11      19.1112      0.00000
     12      20.5600      0.00000
     13      22.0746      0.00000
     14      23.1121      0.00000
     15      23.6001      0.00000
     16      25.1018      0.00000

 k-point   102 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.2046      2.00000
      2       0.0790      2.00000
      3       2.2315      2.00000
      4       3.5276      2.00000
      5       9.1923      0.00000
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      7      10.6078      0.00000
      8      14.1324      0.00000
      9      15.4242      0.00000
     10      16.0562      0.00000
     11      19.9418      0.00000
     12      20.6817      0.00000
     13      20.7509      0.00000
     14      21.1953      0.00000
     15      23.3899      0.00000
     16      24.7146      0.00000

 k-point   103 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.2430      2.00000
      2       0.0457      2.00000
      3       2.2703      2.00000
      4       3.4965      2.00000
      5       9.4141      0.00000
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      8      13.9104      0.00000
      9      15.5145      0.00000
     10      15.8268      0.00000
     11      19.8577      0.00000
     12      20.5611      0.00000
     13      20.5893      0.00000
     14      21.0628      0.00000
     15      23.1670      0.00000
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 k-point   104 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.5779      2.00000
      2      -0.6817      2.00000
      3       1.9715      2.00000
      4       3.1580      2.00000
      5       9.7612      0.00000
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     10      16.9634      0.00000
     11      18.8991      0.00000
     12      20.3426      0.00000
     13      21.8729      0.00000
     14      23.1193      0.00000
     15      23.4163      0.00000
     16      25.3428      0.00000

 k-point   105 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.1650      2.00000
      2      -1.0305      2.00000
      3       2.2184      2.00000
      4       2.6148      2.00000
      5       9.3196      0.00000
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      7      12.1113      0.00000
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     10      17.3943      0.00000
     11      18.7932      0.00000
     12      20.1414      0.00000
     13      21.9937      0.00000
     14      23.1640      0.00000
     15      23.4008      0.00000
     16      24.7692      0.00000

 k-point   106 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -1.9483      2.00000
      2      -1.2025      2.00000
      3       1.9133      2.00000
      4       2.6507      2.00000
      5       9.6818      0.00000
      6      10.9628      0.00000
      7      11.8576      0.00000
      8      11.8945      0.00000
      9      15.9260      0.00000
     10      17.0347      0.00000
     11      19.1115      0.00000
     12      20.3241      0.00000
     13      22.0090      0.00000
     14      23.0633      0.00000
     15      24.7162      0.00000
     16      24.9869      0.00000

 k-point   107 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.6554      2.00000
      2       2.3657      2.00000
      3       4.0270      2.00000
      4       4.0270      2.00000
      5       7.0915      0.00000
      6       8.9937      0.00000
      7      12.5304      0.00000
      8      12.5304      0.00000
      9      15.2658      0.00000
     10      15.3320      0.00000
     11      18.5120      0.00000
     12      19.6547      0.00000
     13      19.6547      0.00000
     14      20.4461      0.00000
     15      23.5994      0.00000
     16      23.5994      0.00000

 k-point   108 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5481      2.00000
      2       0.3015      2.00000
      3       2.0952      2.00000
      4       4.5318      2.00000
      5       8.3301      0.00000
      6      11.5148      0.00000
      7      11.9271      0.00000
      8      12.8962      0.00000
      9      12.8969      0.00000
     10      14.9939      0.00000
     11      19.7334      0.00000
     12      20.3257      0.00000
     13      20.7392      0.00000
     14      23.4030      0.00000
     15      23.8998      0.00000
     16      24.1416      0.00000

 k-point   109 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.8734      2.00000
      2      -0.4941      2.00000
      3       1.9284      2.00000
      4       4.1127      2.00000
      5       7.8569      0.00000
      6      12.0806      0.00000
      7      12.1227      0.00000
      8      13.0488      0.00000
      9      14.0825      0.00000
     10      14.3200      0.00000
     11      19.6884      0.00000
     12      21.7774      0.00000
     13      22.0304      0.00000
     14      22.6968      0.00000
     15      23.1756      0.00000
     16      24.5423      0.00000

 k-point   110 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.7885      2.00000
      2      -0.5969      2.00000
      3       2.2184      2.00000
      4       3.8294      2.00000
      5       7.5576      0.00000
      6      10.8675      0.00000
      7      12.4113      0.00000
      8      12.6009      0.00000
      9      15.9400      0.00000
     10      16.0422      0.00000
     11      19.6878      0.00000
     12      19.6973      0.00000
     13      20.5933      0.00000
     14      24.2461      0.00000
     15      24.2766      0.00000
     16      24.8238      0.00000

 k-point   111 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.4269      2.00000
      2       0.2559      2.00000
      3       2.7856      2.00000
      4       3.7155      2.00000
      5       7.4247      0.00000
      6       9.3879      0.00000
      7      12.7459      0.00000
      8      12.7579      0.00000
      9      17.5931      0.00000
     10      17.6523      0.00000
     11      18.1422      0.00000
     12      18.6608      0.00000
     13      20.2330      0.00000
     14      22.2910      0.00000
     15      23.2564      0.00000
     16      25.0162      0.00000

 k-point   112 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.1168      2.00000
      2       1.3576      2.00000
      3       3.4973      2.00000
      4       3.7827      2.00000
      5       7.2208      0.00000
      6       8.6552      0.00000
      7      12.8712      0.00000
      8      12.9570      0.00000
      9      16.1765      0.00000
     10      16.7273      0.00000
     11      18.6412      0.00000
     12      19.8151      0.00000
     13      20.3388      0.00000
     14      21.3465      0.00000
     15      22.3470      0.00000
     16      23.3488      0.00000

 k-point   113 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.7635      2.00000
      2      -0.4375      2.00000
      3       1.7804      2.00000
      4       3.6859      2.00000
      5       8.4519      0.00000
      6      11.3662      0.00000
      7      12.1424      0.00000
      8      12.8978      0.00000
      9      14.0843      0.00000
     10      15.1842      0.00000
     11      20.8551      0.00000
     12      21.2923      0.00000
     13      21.3295      0.00000
     14      23.0665      0.00000
     15      23.3281      0.00000
     16      24.4511      0.00000

 k-point   114 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.3345      2.00000
      2      -0.8595      2.00000
      3       1.8659      2.00000
      4       3.3530      2.00000
      5       8.0649      0.00000
      6      10.7717      0.00000
      7      12.0566      0.00000
      8      13.7185      0.00000
      9      14.5310      0.00000
     10      16.5932      0.00000
     11      19.7604      0.00000
     12      20.9301      0.00000
     13      22.3088      0.00000
     14      22.7820      0.00000
     15      23.9533      0.00000
     16      24.9715      0.00000

 k-point   115 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.8121      2.00000
      2      -0.3339      2.00000
      3       2.3744      2.00000
      4       3.2450      2.00000
      5       7.8463      0.00000
      6       9.1911      0.00000
      7      12.3566      0.00000
      8      14.6008      0.00000
      9      15.7566      0.00000
     10      17.7408      0.00000
     11      18.5845      0.00000
     12      20.5685      0.00000
     13      21.1145      0.00000
     14      21.7155      0.00000
     15      23.7218      0.00000
     16      24.3043      0.00000

 k-point   116 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.5234      2.00000
      2       0.5350      2.00000
      3       3.0089      2.00000
      4       3.4448      2.00000
      5       7.4958      0.00000
      6       8.3803      0.00000
      7      12.7281      0.00000
      8      14.2133      0.00000
      9      16.5854      0.00000
     10      17.7874      0.00000
     11      18.5068      0.00000
     12      19.7327      0.00000
     13      20.7509      0.00000
     14      21.3126      0.00000
     15      22.7900      0.00000
     16      23.4471      0.00000

 k-point   117 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -1.9246      2.00000
      2      -1.1491      2.00000
      3       1.9354      2.00000
      4       2.6263      2.00000
      5       9.4465      0.00000
      6      10.7518      0.00000
      7      11.7079      0.00000
      8      11.7142      0.00000
      9      16.1944      0.00000
     10      17.2521      0.00000
     11      19.4156      0.00000
     12      20.6136      0.00000
     13      22.3234      0.00000
     14      23.2666      0.00000
     15      24.8744      0.00000
     16      24.9784      0.00000

 k-point   118 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.1107      2.00000
      2      -0.9771      2.00000
      3       2.1826      2.00000
      4       2.6054      2.00000
      5       9.0934      0.00000
      6       9.3012      0.00000
      7      11.9356      0.00000
      8      13.5863      0.00000
      9      16.1375      0.00000
     10      17.6688      0.00000
     11      18.9991      0.00000
     12      20.3875      0.00000
     13      22.1957      0.00000
     14      23.1036      0.00000
     15      23.6725      0.00000
     16      24.9025      0.00000

 k-point   119 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.6357      2.00000
      2       0.7010      2.00000
      3       3.4949      2.00000
      4       3.4949      2.00000
      5       6.7047      0.00000
      6       7.7698      0.00000
      7      14.2365      0.00000
      8      14.2365      0.00000
      9      16.4982      0.00000
     10      17.2469      0.00000
     11      19.6846      0.00000
     12      19.6846      0.00000
     13      20.2400      0.00000
     14      21.9172      0.00000
     15      22.1927      0.00000
     16      23.2450      0.00000

 k-point   120 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.2339      2.00000
      2      -0.9475      2.00000
      3       1.6861      2.00000
      4       3.7091      2.00000
      5       7.3743      0.00000
      6      10.7060      0.00000
      7      13.5503      0.00000
      8      14.2003      0.00000
      9      14.5146      0.00000
     10      14.5157      0.00000
     11      21.5772      0.00000
     12      21.6758      0.00000
     13      22.3036      0.00000
     14      22.3362      0.00000
     15      22.4155      0.00000
     16      24.1777      0.00000

 k-point   121 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.2810      2.00000
      2      -0.9104      2.00000
      3       2.1617      2.00000
      4       3.4571      2.00000
      5       7.0869      0.00000
      6       8.9630      0.00000
      7      14.2038      0.00000
      8      14.5082      0.00000
      9      16.1436      0.00000
     10      16.2960      0.00000
     11      19.7615      0.00000
     12      20.5361      0.00000
     13      21.8881      0.00000
     14      21.9607      0.00000
     15      22.7035      0.00000
     16      24.9050      0.00000

 k-point   122 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.9837      2.00000
      2      -0.1517      2.00000
      3       2.9491      2.00000
      4       3.3834      2.00000
      5       6.9149      0.00000
      6       7.7648      0.00000
      7      14.5171      0.00000
      8      14.6137      0.00000
      9      17.7711      0.00000
     10      18.1475      0.00000
     11      18.2099      0.00000
     12      18.7657      0.00000
     13      21.3007      0.00000
     14      21.5634      0.00000
     15      22.2985      0.00000
     16      24.4348      0.00000

 k-point   123 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.7754      2.00000
      2      -1.3791      2.00000
      3       2.1459      2.00000
      4       3.0110      2.00000
      5       7.7021      0.00000
      6       8.9733      0.00000
      7      13.8394      0.00000
      8      14.0676      0.00000
      9      16.2232      0.00000
     10      16.8115      0.00000
     11      19.6090      0.00000
     12      20.3656      0.00000
     13      22.2248      0.00000
     14      22.9222      0.00000
     15      23.4416      0.00000
     16      23.7737      0.00000

 k-point   124 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.2958      2.00000
      2      -0.9075      2.00000
      3       2.8083      2.00000
      4       2.9418      2.00000
      5       7.4130      0.00000
      6       7.6916      0.00000
      7      14.2995      0.00000
      8      15.8555      0.00000
      9      16.2897      0.00000
     10      17.8899      0.00000
     11      18.5413      0.00000
     12      20.1468      0.00000
     13      20.4728      0.00000
     14      22.0494      0.00000
     15      23.2200      0.00000
     16      24.7456      0.00000

 k-point   125 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.3700      2.00000
      2      -0.9033      2.00000
      3       3.2230      2.00000
      4       3.2230      2.00000
      5       6.6524      0.00000
      6       6.9923      0.00000
      7      15.9994      0.00000
      8      15.9994      0.00000
      9      17.9890      0.00000
     10      18.0157      0.00000
     11      18.0157      0.00000
     12      19.0542      0.00000
     13      19.7990      0.00000
     14      20.3782      0.00000
     15      24.4403      0.00000
     16      25.3366      0.00000

 k-point   126 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.6952      2.00000
      2      -1.5790      2.00000
      3       2.7703      2.00000
      4       3.2483      2.00000
      5       6.8390      0.00000
      6       7.4371      0.00000
      7      15.9278      0.00000
      8      16.2607      0.00000
      9      16.6122      0.00000
     10      16.6477      0.00000
     11      19.5603      0.00000
     12      19.6350      0.00000
     13      20.1895      0.00000
     14      20.6857      0.00000
     15      24.6262      0.00000
     16      24.9009      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.370  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.174  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.174  -0.000   0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.174   0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.487  -0.842   0.000   0.000   0.000   0.000   0.000   0.000
 -0.842   0.863   0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000   0.000   1.057   0.000  -0.000  -0.604  -0.000   0.000
  0.000  -0.000   0.000   1.057  -0.000  -0.000  -0.595   0.000
  0.000   0.000  -0.000  -0.000   1.057   0.000   0.000  -0.604
  0.000   0.000  -0.604  -0.000   0.000   0.406   0.000  -0.000
  0.000   0.000  -0.000  -0.595   0.000  -0.000   0.396   0.000
  0.000  -0.000   0.000   0.000  -0.604  -0.000  -0.000   0.406


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0210: real time    0.0205
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0090: real time    0.0093
    STRESS:  cpu time    0.1320: real time    0.1321
    FORCOR:  cpu time    0.0040: real time    0.0039
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.49322     3.49322     3.49322
  Ewald     -76.61811   -76.61811   -78.22213    -0.00000    -0.00000    -0.00000
  Hartree     4.91107     4.91107     4.64578     0.00000     0.00000     0.00000
  E(xc)     -25.59635   -25.59635   -25.59246    -0.00000    -0.00000    -0.00000
  Local     -29.37500   -29.37500   -27.41164     0.00001     0.00001     0.00001
  n-local    80.66109    76.74773    78.45001    -1.35378     0.31414     2.03412
  augment   -11.67223   -11.67223   -11.67146    -0.00001    -0.00001    -0.00001
  Kinetic    57.61244    57.29853    57.95391    -1.47198     0.85568     2.54432
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.30249     1.30249     1.64522     0.00000    -0.00000     0.00000
  in kB      54.13725    54.13725    68.38290     0.00000    -0.00000     0.00000
  external pressure =       58.89 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       38.55
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.188376435
     0.000000000  2.694680000  2.654259800    -0.185550789  0.185550789  0.188376435
     2.694680000  0.000000000  2.654259800     0.185550789 -0.185550789  0.188376435

  length of vectors
     3.810853002  3.782379593  3.782379593     0.323023021  0.323023021  0.323023021


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.112E-06 0.135E-06 0.984E-07   0.300E-14 0.133E-14 -.157E-14   -.524E-17 0.745E-17 0.420E-16   -.278E-08 -.278E-08 -.116E-07
   -.112E-06 -.135E-06 -.984E-07   -.334E-14 -.144E-14 0.148E-14   -.653E-19 -.185E-16 -.328E-16   0.278E-08 0.278E-08 0.116E-07
 -----------------------------------------------------------------------------------------------
   0.834E-14 0.346E-13 -.418E-13   -.332E-15 -.111E-15 -.842E-16   -.531E-17 -.111E-16 0.920E-17   -.455E-15 -.121E-14 -.175E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000     -0.000000     -0.000000
      1.34734      1.34734      1.32713         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.80466003 eV

  energy  without entropy=      -10.80466003  energy(sigma->0) =      -10.80466003
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.3103459E-01 0.310E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.2303460E+01-0.230E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0055


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   3/  7
  Displacement:        2/  2
  Total:               6/ 14
  LATTYP: Found a base centered monoclinic cell.
 ALAT       =     5.3893600000
 B/A-ratio  =     1.0000000000
 C/A-ratio  =     2.5421558272
 COS(beta)  =    -0.6932948929
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   2.6946800000,  -2.6946800000)
 A2 = (   0.0000000000,   2.6946800000,   2.6946800000)
 A3 = (   2.6946800000, -13.4329798000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  2 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000    -0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    3    -1.000000     0.000001     1.000000     0.000000     0.000000    -0.750000    -0.750000     1.250000
    4    -1.000000   180.000000    -0.000000     0.000000    -1.000000    -0.750000    -0.750000     1.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    366 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000  0.000000      4.000000
  0.181818 -0.000000  0.000000      4.000000
  0.272727  0.000000  0.000000      4.000000
  0.363636 -0.000000  0.000000      4.000000
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    WAVPRE:  cpu time    0.1520: real time    0.1566
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0590: real time    0.0589
    ORTHCH:  cpu time    0.3250: real time    0.3248
     LOOP+:  cpu time    3.7734: real time    3.7844


--------------------------------------- Iteration      8(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0070: real time    0.0082
    SETDIJ:  cpu time    0.0010: real time    0.0016
    EDDIAG:  cpu time    0.6009: real time    0.6011
  RMM-DIIS:  cpu time    0.5409: real time    0.5407
    ORTHCH:  cpu time    0.3160: real time    0.3154
       DOS:  cpu time    0.0030: real time    0.0032
    CHARGE:  cpu time    0.0540: real time    0.0548
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.5238: real time    1.5250

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) :-0.2203570E-01  (-0.8523878E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4609284 magnetization 

 Broyden mixing:
  rms(total) = 0.26989E-01    rms(broyden)= 0.26987E-01
  rms(prec ) = 0.10264E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.39672173
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.86179433
  PAW double counting   =        75.62668191      -40.69964181
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.21006133
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82669629 eV

  energy without entropy =      -10.82669629  energy(sigma->0) =      -10.82669629


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0014
    EDDIAG:  cpu time    0.5949: real time    0.5946
  RMM-DIIS:  cpu time    0.4879: real time    0.4878
    ORTHCH:  cpu time    0.3150: real time    0.3150
       DOS:  cpu time    0.0020: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0548
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4598: real time    1.4608

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.3581071E-02  (-0.7424268E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4604736 magnetization 

 Broyden mixing:
  rms(total) = 0.14448E-01    rms(broyden)= 0.14448E-01
  rms(prec ) = 0.54280E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0826
  2.0826

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.51071263
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85797216
  PAW double counting   =        75.47398974      -40.54318362
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.32004511
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82311522 eV

  energy without entropy =      -10.82311522  energy(sigma->0) =      -10.82311522


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0014
    EDDIAG:  cpu time    0.5969: real time    0.5969
  RMM-DIIS:  cpu time    0.4879: real time    0.4876
    ORTHCH:  cpu time    0.3150: real time    0.3150
       DOS:  cpu time    0.0020: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0546
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4628: real time    1.4629

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1293624E-02  (-0.1090291E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4597126 magnetization 

 Broyden mixing:
  rms(total) = 0.24823E-02    rms(broyden)= 0.24820E-02
  rms(prec ) = 0.78815E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2264
  2.2264  2.2264

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.64511176
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85503712
  PAW double counting   =        75.22901448      -40.29212948
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.44672395
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82182159 eV

  energy without entropy =      -10.82182159  energy(sigma->0) =      -10.82182159


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0014
    EDDIAG:  cpu time    0.5949: real time    0.5952
  RMM-DIIS:  cpu time    0.4879: real time    0.4881
    ORTHCH:  cpu time    0.3150: real time    0.3148
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0548
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4618: real time    1.4616

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1725375E-04  (-0.2909802E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596043 magnetization 

 Broyden mixing:
  rms(total) = 0.43775E-03    rms(broyden)= 0.43769E-03
  rms(prec ) = 0.15147E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8385
  0.9430  2.5734  1.9992

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65574145
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85661567
  PAW double counting   =        75.12008827      -40.17946935
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45521552
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180434 eV

  energy without entropy =      -10.82180434  energy(sigma->0) =      -10.82180434


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0070: real time    0.0105
    SETDIJ:  cpu time    0.0020: real time    0.0021
    EDDIAG:  cpu time    0.6009: real time    0.6008
  RMM-DIIS:  cpu time    0.4859: real time    0.4857
    ORTHCH:  cpu time    0.3160: real time    0.3158
       DOS:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time    1.4148: real time    1.4178

 eigenvalue-minimisations  : 11426
 total energy-change (2. order) : 0.5690495E-06  (-0.2042179E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596043 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65807489
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660208
  PAW double counting   =        75.11514370      -40.17430553
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45731668
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180377 eV

  energy without entropy =      -10.82180377  energy(sigma->0) =      -10.82180377


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9887       2 -82.9887
 
 
 
 E-fermi :   6.1206     XC(G=0):  -9.4994     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0570      2.00000
      2       6.0424      2.00000
      3       6.0595      2.00000
      4       6.0814      2.00000
      5       8.5218      0.00000
      6       8.6149      0.00000
      7       8.7551      0.00000
      8       9.7235      0.00000
      9      13.8045      0.00000
     10      13.8069      0.00000
     11      14.1149      0.00000
     12      17.3681      0.00000
     13      17.3939      0.00000
     14      17.4248      0.00000
     15      21.6165      0.00000
     16      29.3925      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9480      2.00000
      2       5.0380      2.00000
      3       5.8888      2.00000
      4       5.9158      2.00000
      5       8.6782      0.00000
      6       8.8703      0.00000
      7       8.9978      0.00000
      8      10.4012      0.00000
      9      13.4868      0.00000
     10      13.5085      0.00000
     11      14.5607      0.00000
     12      17.0098      0.00000
     13      18.0561      0.00000
     14      18.0773      0.00000
     15      22.3181      0.00000
     16      28.0297      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6254      2.00000
      2       3.3341      2.00000
      3       5.5539      2.00000
      4       5.5753      2.00000
      5       8.4728      0.00000
      6       9.3112      0.00000
      7       9.4620      0.00000
      8      11.9621      0.00000
      9      13.1262      0.00000
     10      13.1815      0.00000
     11      15.2972      0.00000
     12      16.8633      0.00000
     13      19.5550      0.00000
     14      19.5622      0.00000
     15      23.8301      0.00000
     16      25.7251      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.1060      2.00000
      2       1.6538      2.00000
      3       5.2372      2.00000
      4       5.2490      2.00000
      5       8.1519      0.00000
      6       9.5502      0.00000
      7       9.6920      0.00000
      8      13.3568      0.00000
      9      13.5052      0.00000
     10      13.5609      0.00000
     11      15.0995      0.00000
     12      18.4350      0.00000
     13      21.0869      0.00000
     14      21.0973      0.00000
     15      23.5446      0.00000
     16      23.7596      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4419      2.00000
      2       0.1830      2.00000
      3       5.0115      2.00000
      4       5.0142      2.00000
      5       7.9016      0.00000
      6       9.4823      0.00000
      7       9.6165      0.00000
      8      14.0421      0.00000
      9      14.4566      0.00000
     10      14.5951      0.00000
     11      15.7871      0.00000
     12      20.0093      0.00000
     13      20.2440      0.00000
     14      20.2670      0.00000
     15      22.9139      0.00000
     16      24.4835      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.8294      2.00000
      2      -0.8401      2.00000
      3       4.8940      2.00000
      4       4.8971      2.00000
      5       7.7704      0.00000
      6       9.3694      0.00000
      7       9.5026      0.00000
      8      13.8952      0.00000
      9      15.9777      0.00000
     10      16.1497      0.00000
     11      17.2452      0.00000
     12      18.0739      0.00000
     13      18.2511      0.00000
     14      19.6850      0.00000
     15      24.4652      0.00000
     16      26.8107      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9095      2.00000
      2       5.2771      2.00000
      3       5.5505      2.00000
      4       5.5535      2.00000
      5       8.3039      0.00000
      6       9.3068      0.00000
      7       9.3331      0.00000
      8      10.4209      0.00000
      9      12.9278      0.00000
     10      13.9650      0.00000
     11      14.7315      0.00000
     12      17.6491      0.00000
     13      17.6501      0.00000
     14      18.0185      0.00000
     15      22.6424      0.00000
     16      27.8728      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6583      2.00000
      2       3.8672      2.00000
      3       5.1541      2.00000
      4       5.3449      2.00000
      5       8.3719      0.00000
      6       9.5521      0.00000
      7       9.9130      0.00000
      8      11.1399      0.00000
      9      12.7789      0.00000
     10      13.9403      0.00000
     11      15.5369      0.00000
     12      17.2409      0.00000
     13      18.4864      0.00000
     14      19.4109      0.00000
     15      23.9581      0.00000
     16      25.5503      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.2027      2.00000
      2       2.2158      2.00000
      3       4.8387      2.00000
      4       4.9733      2.00000
      5       8.5358      0.00000
      6       9.5270      0.00000
      7      10.2583      0.00000
      8      11.4969      0.00000
      9      13.9361      0.00000
     10      14.1707      0.00000
     11      15.7369      0.00000
     12      17.9734      0.00000
     13      19.9512      0.00000
     14      21.1829      0.00000
     15      23.1918      0.00000
     16      23.9292      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5775      2.00000
      2       0.6860      2.00000
      3       4.5939      2.00000
      4       4.6587      2.00000
      5       8.4279      0.00000
      6       9.4887      0.00000
      7      10.1803      0.00000
      8      12.3087      0.00000
      9      14.9792      0.00000
     10      15.1133      0.00000
     11      15.8626      0.00000
     12      19.5856      0.00000
     13      19.8314      0.00000
     14      21.3592      0.00000
     15      23.0443      0.00000
     16      23.6393      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.9044      2.00000
      2      -0.5212      2.00000
      3       4.3007      2.00000
      4       4.6235      2.00000
      5       8.3069      0.00000
      6       9.4120      0.00000
      7       9.9337      0.00000
      8      13.5829      0.00000
      9      14.9336      0.00000
     10      16.4479      0.00000
     11      17.3699      0.00000
     12      17.8879      0.00000
     13      18.8146      0.00000
     14      21.2741      0.00000
     15      23.7050      0.00000
     16      25.1931      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.6308      2.00000
      2      -0.9306      2.00000
      3       4.1270      2.00000
      4       4.7309      2.00000
      5       8.2917      0.00000
      6       9.4474      0.00000
      7       9.7426      0.00000
      8      14.2557      0.00000
      9      15.4949      0.00000
     10      15.7500      0.00000
     11      17.1641      0.00000
     12      18.4588      0.00000
     13      19.0344      0.00000
     14      19.9768      0.00000
     15      25.0768      0.00000
     16      26.2238      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.1129      2.00000
      2      -0.1807      2.00000
      3       4.0942      2.00000
      4       4.9628      2.00000
      5       8.3976      0.00000
      6       9.6154      0.00000
      7       9.6761      0.00000
      8      13.8708      0.00000
      9      14.1106      0.00000
     10      15.3787      0.00000
     11      17.6134      0.00000
     12      18.1416      0.00000
     13      20.4414      0.00000
     14      20.8531      0.00000
     15      22.9760      0.00000
     16      24.3468      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1611      2.00000
      3       4.2171      2.00000
      4       5.2888      2.00000
      5       8.6099      0.00000
      6       9.5979      0.00000
      7       9.8482      0.00000
      8      12.7867      0.00000
      9      12.9457      0.00000
     10      15.5358      0.00000
     11      15.9190      0.00000
     12      18.9596      0.00000
     13      20.2898      0.00000
     14      22.1433      0.00000
     15      22.1823      0.00000
     16      23.9756      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3726      2.00000
      2       2.7381      2.00000
      3       4.5094      2.00000
      4       5.6508      2.00000
      5       8.8796      0.00000
      6       9.3365      0.00000
      7       9.7351      0.00000
      8      12.0278      0.00000
      9      12.4427      0.00000
     10      14.4201      0.00000
     11      15.8772      0.00000
     12      17.4633      0.00000
     13      19.2455      0.00000
     14      21.1267      0.00000
     15      23.4474      0.00000
     16      24.6797      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7636      2.00000
      2       4.2686      2.00000
      3       5.0420      2.00000
      4       5.9170      2.00000
      5       8.8745      0.00000
      6       9.1194      0.00000
      7       9.1621      0.00000
      8      11.2659      0.00000
      9      12.7791      0.00000
     10      13.6787      0.00000
     11      15.2365      0.00000
     12      17.2277      0.00000
     13      17.9568      0.00000
     14      19.4165      0.00000
     15      23.3433      0.00000
     16      25.9121      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4698      2.00000
      2       3.7789      2.00000
      3       4.6997      2.00000
      4       4.7001      2.00000
      5       7.6458      0.00000
      6      10.2410      0.00000
      7      10.7076      0.00000
      8      10.7233      0.00000
      9      13.0397      0.00000
     10      14.4515      0.00000
     11      16.2400      0.00000
     12      18.3907      0.00000
     13      18.3959      0.00000
     14      19.0154      0.00000
     15      25.1525      0.00000
     16      25.3478      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0818      2.00000
      2       2.5890      2.00000
      3       4.2621      2.00000
      4       4.3590      2.00000
      5       7.7221      0.00000
      6       9.8362      0.00000
      7      11.0708      0.00000
      8      11.2908      0.00000
      9      14.2552      0.00000
     10      14.8068      0.00000
     11      17.0085      0.00000
     12      18.3580      0.00000
     13      19.2746      0.00000
     14      20.5484      0.00000
     15      23.1445      0.00000
     16      23.7840      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.5083      2.00000
      2       1.1825      2.00000
      3       3.7338      2.00000
      4       4.1655      2.00000
      5       7.9556      0.00000
      6      10.2163      0.00000
      7      10.9080      0.00000
      8      11.3614      0.00000
      9      15.6092      0.00000
     10      16.0214      0.00000
     11      16.7643      0.00000
     12      19.4428      0.00000
     13      19.5614      0.00000
     14      21.2950      0.00000
     15      22.1821      0.00000
     16      23.5075      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8248      2.00000
      2      -0.0797      2.00000
      3       3.2638      2.00000
      4       4.1381      2.00000
      5       7.9980      0.00000
      6      10.6706      0.00000
      7      11.0959      0.00000
      8      11.4658      0.00000
      9      16.1211      0.00000
     10      16.9431      0.00000
     11      17.7148      0.00000
     12      17.9175      0.00000
     13      18.9714      0.00000
     14      22.3165      0.00000
     15      23.8984      0.00000
     16      24.4196      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.3363      2.00000
      2      -0.8061      2.00000
      3       2.9331      2.00000
      4       4.2749      2.00000
      5       8.1085      0.00000
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     10      15.6204      0.00000
     11      17.7222      0.00000
     12      18.9100      0.00000
     13      19.8329      0.00000
     14      22.1425      0.00000
     15      24.9224      0.00000
     16      25.2139      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
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     11      17.6013      0.00000
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     14      21.3374      0.00000
     15      22.6687      0.00000
     16      25.0131      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
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     10      16.3738      0.00000
     11      18.1610      0.00000
     12      18.3201      0.00000
     13      20.0845      0.00000
     14      22.1585      0.00000
     15      22.8293      0.00000
     16      23.9774      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
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     10      16.2356      0.00000
     11      16.8569      0.00000
     12      17.8261      0.00000
     13      19.9589      0.00000
     14      21.2729      0.00000
     15      22.7702      0.00000
     16      24.9490      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     10      15.2621      0.00000
     11      18.1416      0.00000
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     14      20.2652      0.00000
     15      23.2011      0.00000
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 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     10      16.2761      0.00000
     11      18.3463      0.00000
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     13      20.0159      0.00000
     14      20.9937      0.00000
     15      22.0118      0.00000
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 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     10      17.3954      0.00000
     11      17.7771      0.00000
     12      18.1962      0.00000
     13      19.9456      0.00000
     14      21.8832      0.00000
     15      22.9692      0.00000
     16      24.7680      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     11      19.2675      0.00000
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     13      20.0929      0.00000
     14      23.8713      0.00000
     15      23.9728      0.00000
     16      24.5012      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     10      14.0047      0.00000
     11      19.3818      0.00000
     12      21.2336      0.00000
     13      21.5178      0.00000
     14      22.2295      0.00000
     15      22.9936      0.00000
     16      24.2312      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     14      22.9935      0.00000
     15      23.3657      0.00000
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 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
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     14      21.6602      0.00000
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     11      17.8570      0.00000
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 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
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     11      16.3759      0.00000
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     14      20.7159      0.00000
     15      23.1243      0.00000
     16      25.1186      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
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     14      21.3807      0.00000
     15      22.1531      0.00000
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 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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     14      21.4970      0.00000
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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     14      21.7164      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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     14      21.4295      0.00000
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.0137      2.00000
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     14      21.0046      0.00000
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.3364      2.00000
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      3       2.4883      2.00000
      4       3.6998      2.00000
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     14      22.6314      0.00000
     15      24.2011      0.00000
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.0538      2.00000
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      3       2.2663      2.00000
      4       3.7981      2.00000
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     10      16.2363      0.00000
     11      18.4541      0.00000
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     13      21.7685      0.00000
     14      22.5081      0.00000
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5497      2.00000
      2      -0.0720      2.00000
      3       2.2498      2.00000
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     11      18.6282      0.00000
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     14      21.3490      0.00000
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.2303      2.00000
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      3       2.6030      2.00000
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     10      16.6934      0.00000
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     14      22.0917      0.00000
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 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6663      2.00000
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      4       3.3388      2.00000
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     10      17.3008      0.00000
     11      17.9796      0.00000
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     14      21.0674      0.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9834      2.00000
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      3       2.2922      2.00000
      4       3.1652      2.00000
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     10      17.4923      0.00000
     11      18.3214      0.00000
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     14      21.4016      0.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4967      2.00000
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      4       3.2945      2.00000
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     10      16.3429      0.00000
     11      19.4551      0.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8549      2.00000
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     10      14.9586      0.00000
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     14      22.8815      0.00000
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 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4751      2.00000
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 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9272      2.00000
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 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
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 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7272      2.00000
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     10      16.9686      0.00000
     11      18.8336      0.00000
     12      20.2415      0.00000
     13      21.7234      0.00000
     14      22.4898      0.00000
     15      23.2214      0.00000
     16      24.9725      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.3064      2.00000
      2      -1.0663      2.00000
      3       2.1321      2.00000
      4       2.5027      2.00000
      5       9.0626      0.00000
      6       9.2813      0.00000
      7      11.8981      0.00000
      8      13.1694      0.00000
      9      15.8707      0.00000
     10      17.3586      0.00000
     11      18.7329      0.00000
     12      20.0320      0.00000
     13      21.8524      0.00000
     14      22.5454      0.00000
     15      23.2499      0.00000
     16      24.5676      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.0471      2.00000
      2      -1.2887      2.00000
      3       1.8334      2.00000
      4       2.5533      2.00000
      5       9.4053      0.00000
      6      10.6741      0.00000
      7      11.3932      0.00000
      8      11.6730      0.00000
      9      15.8675      0.00000
     10      16.9660      0.00000
     11      19.0237      0.00000
     12      20.2313      0.00000
     13      21.9017      0.00000
     14      22.9499      0.00000
     15      24.4126      0.00000
     16      24.6103      0.00000

 k-point    57 :      -0.0000    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.9451      2.00000
      2       5.1074      2.00000
      3       5.8642      2.00000
      4       5.8877      2.00000
      5       8.6698      0.00000
      6       8.7844      0.00000
      7       8.9578      0.00000
      8      10.4912      0.00000
      9      13.4632      0.00000
     10      13.4806      0.00000
     11      14.5921      0.00000
     12      17.0336      0.00000
     13      18.0702      0.00000
     14      18.0870      0.00000
     15      22.3508      0.00000
     16      28.3397      0.00000

 k-point    58 :      -0.0000    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6133      2.00000
      2       3.4123      2.00000
      3       5.5090      2.00000
      4       5.5266      2.00000
      5       8.3793      0.00000
      6       9.2828      0.00000
      7       9.4344      0.00000
      8      12.0327      0.00000
      9      13.0678      0.00000
     10      13.1232      0.00000
     11      15.3029      0.00000
     12      16.9749      0.00000
     13      19.6202      0.00000
     14      19.6333      0.00000
     15      23.9181      0.00000
     16      26.0342      0.00000

 k-point    59 :       0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6494      2.00000
      2       3.9130      2.00000
      3       5.1333      2.00000
      4       5.3535      2.00000
      5       8.3254      0.00000
      6       9.3396      0.00000
      7       9.9439      0.00000
      8      11.1935      0.00000
      9      12.8066      0.00000
     10      13.9011      0.00000
     11      15.5777      0.00000
     12      17.2533      0.00000
     13      18.5477      0.00000
     14      19.4801      0.00000
     15      24.0219      0.00000
     16      25.8836      0.00000

 k-point    60 :      -0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.3632      2.00000
      2       2.8090      2.00000
      3       4.4269      2.00000
      4       5.6231      2.00000
      5       8.8163      0.00000
      6       9.3634      0.00000
      7       9.7203      0.00000
      8      12.0646      0.00000
      9      12.4341      0.00000
     10      14.3378      0.00000
     11      15.8437      0.00000
     12      17.5425      0.00000
     13      19.3530      0.00000
     14      21.1687      0.00000
     15      23.4138      0.00000
     16      24.7657      0.00000

 k-point    61 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.0776      2.00000
      2       1.7140      2.00000
      3       5.1779      2.00000
      4       5.1861      2.00000
      5       8.0296      0.00000
      6       9.5299      0.00000
      7       9.6697      0.00000
      8      13.3507      0.00000
      9      13.3925      0.00000
     10      13.5875      0.00000
     11      15.0528      0.00000
     12      18.6880      0.00000
     13      21.2391      0.00000
     14      21.2414      0.00000
     15      23.6946      0.00000
     16      23.8635      0.00000

 k-point    62 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.1784      2.00000
      2       2.2579      2.00000
      3       4.7998      2.00000
      4       4.9699      2.00000
      5       8.4820      0.00000
      6       9.3085      0.00000
      7      10.2956      0.00000
      8      11.4014      0.00000
      9      13.9942      0.00000
     10      14.1681      0.00000
     11      15.6758      0.00000
     12      18.1808      0.00000
     13      20.0852      0.00000
     14      21.3307      0.00000
     15      23.4590      0.00000
     16      24.1393      0.00000

 k-point    63 :       0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -5.0669      2.00000
      2       2.5879      2.00000
      3       4.3035      2.00000
      4       4.3421      2.00000
      5       7.6764      0.00000
      6       9.7450      0.00000
      7      10.9374      0.00000
      8      11.3055      0.00000
      9      14.3632      0.00000
     10      14.7734      0.00000
     11      16.9743      0.00000
     12      18.3934      0.00000
     13      19.3724      0.00000
     14      20.7075      0.00000
     15      23.4219      0.00000
     16      23.9568      0.00000

 k-point    64 :      -0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -4.2692      2.00000
      2       0.7651      2.00000
      3       2.7994      2.00000
      4       4.9287      2.00000
      5       8.7292      0.00000
      6      10.3137      0.00000
      7      10.4377      0.00000
      8      12.5337      0.00000
      9      12.6686      0.00000
     10      16.2591      0.00000
     11      18.1450      0.00000
     12      18.2510      0.00000
     13      20.2065      0.00000
     14      22.3171      0.00000
     15      23.0031      0.00000
     16      24.0563      0.00000

 k-point    65 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2189      2.00000
      3       4.1249      2.00000
      4       5.2408      2.00000
      5       8.5161      0.00000
      6       9.6247      0.00000
      7       9.7918      0.00000
      8      12.8312      0.00000
      9      12.9948      0.00000
     10      15.4428      0.00000
     11      15.7682      0.00000
     12      19.1366      0.00000
     13      20.4209      0.00000
     14      22.2356      0.00000
     15      22.3246      0.00000
     16      24.1336      0.00000

 k-point    66 :      -0.0000    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.3872      2.00000
      2       0.2114      2.00000
      3       4.9430      2.00000
      4       4.9442      2.00000
      5       7.7652      0.00000
      6       9.4453      0.00000
      7       9.5784      0.00000
      8      13.9716      0.00000
      9      14.4404      0.00000
     10      14.5696      0.00000
     11      15.7937      0.00000
     12      20.2158      0.00000
     13      20.3152      0.00000
     14      20.5699      0.00000
     15      23.0073      0.00000
     16      24.6046      0.00000

 k-point    67 :       0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5295      2.00000
      2       0.7062      2.00000
      3       4.5685      2.00000
      4       4.6065      2.00000
      5       8.3354      0.00000
      6       9.3244      0.00000
      7      10.1968      0.00000
      8      12.1629      0.00000
      9      14.9472      0.00000
     10      15.0898      0.00000
     11      15.9422      0.00000
     12      19.9010      0.00000
     13      20.0878      0.00000
     14      21.5368      0.00000
     15      23.2003      0.00000
     16      23.6556      0.00000

 k-point    68 :       0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4714      2.00000
      2       1.1733      2.00000
      3       3.7579      2.00000
      4       4.1355      2.00000
      5       7.9178      0.00000
      6      10.0901      0.00000
      7      10.7241      0.00000
      8      11.3543      0.00000
      9      15.6085      0.00000
     10      16.1100      0.00000
     11      16.6798      0.00000
     12      19.6846      0.00000
     13      19.7934      0.00000
     14      21.4655      0.00000
     15      22.3564      0.00000
     16      23.7037      0.00000

 k-point    69 :       0.2727    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.2108      2.00000
      2       1.1453      2.00000
      3       3.4382      2.00000
      4       3.7219      2.00000
      5       7.1570      0.00000
      6       8.5179      0.00000
      7      12.5373      0.00000
      8      12.7556      0.00000
      9      16.0199      0.00000
     10      16.4051      0.00000
     11      18.3051      0.00000
     12      19.6329      0.00000
     13      20.0526      0.00000
     14      21.0647      0.00000
     15      22.1730      0.00000
     16      23.1740      0.00000

 k-point    70 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.9454      2.00000
      2      -0.6582      2.00000
      3       1.7786      2.00000
      4       4.0584      2.00000
      5       7.7926      0.00000
      6      11.8218      0.00000
      7      11.9369      0.00000
      8      12.8720      0.00000
      9      13.9226      0.00000
     10      14.1572      0.00000
     11      19.1827      0.00000
     12      21.3951      0.00000
     13      21.7262      0.00000
     14      22.3423      0.00000
     15      22.8842      0.00000
     16      24.0528      0.00000

 k-point    71 :      -0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -3.5595      2.00000
      2      -0.4026      2.00000
      3       2.7262      2.00000
      4       4.5248      2.00000
      5       8.3294      0.00000
      6      10.3587      0.00000
      7      10.5497      0.00000
      8      13.8682      0.00000
      9      14.0736      0.00000
     10      14.8028      0.00000
     11      17.5250      0.00000
     12      20.0411      0.00000
     13      21.0604      0.00000
     14      21.5819      0.00000
     15      22.8527      0.00000
     16      25.2212      0.00000

 k-point    72 :      -0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.0559      2.00000
      2      -0.1594      2.00000
      3       4.0101      2.00000
      4       4.9036      2.00000
      5       8.2892      0.00000
      6       9.5290      0.00000
      7       9.6777      0.00000
      8      13.9143      0.00000
      9      14.1765      0.00000
     10      15.3243      0.00000
     11      17.4202      0.00000
     12      18.1362      0.00000
     13      20.6552      0.00000
     14      21.1454      0.00000
     15      23.1214      0.00000
     16      24.5657      0.00000

 k-point    73 :      -0.0000    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.7371      2.00000
      2      -0.8529      2.00000
      3       4.8196      2.00000
      4       4.8258      2.00000
      5       7.6280      0.00000
      6       9.3201      0.00000
      7       9.4529      0.00000
      8      13.8004      0.00000
      9      16.0123      0.00000
     10      16.1557      0.00000
     11      17.2513      0.00000
     12      18.1629      0.00000
     13      18.3444      0.00000
     14      19.8530      0.00000
     15      24.7497      0.00000
     16      26.9845      0.00000

 k-point    74 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8223      2.00000
      2      -0.5343      2.00000
      3       4.2531      2.00000
      4       4.5632      2.00000
      5       8.1975      0.00000
      6       9.2701      0.00000
      7       9.9346      0.00000
      8      13.4366      0.00000
      9      14.8418      0.00000
     10      16.5200      0.00000
     11      17.4921      0.00000
     12      18.0906      0.00000
     13      19.0291      0.00000
     14      21.2338      0.00000
     15      23.9074      0.00000
     16      25.3704      0.00000

 k-point    75 :       0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.7569      2.00000
      2      -0.1098      2.00000
      3       3.2566      2.00000
      4       4.1011      2.00000
      5       7.9525      0.00000
      6      10.5017      0.00000
      7      11.0660      0.00000
      8      11.3313      0.00000
      9      16.0384      0.00000
     10      16.9910      0.00000
     11      17.8812      0.00000
     12      18.0814      0.00000
     13      19.1706      0.00000
     14      22.5256      0.00000
     15      24.0727      0.00000
     16      24.2557      0.00000

 k-point    76 :       0.2727    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5201      2.00000
      2       0.0758      2.00000
      3       2.6867      2.00000
      4       3.6574      2.00000
      5       7.3530      0.00000
      6       9.2903      0.00000
      7      12.3689      0.00000
      8      12.5834      0.00000
      9      17.2883      0.00000
     10      17.4326      0.00000
     11      17.9947      0.00000
     12      18.3404      0.00000
     13      19.9022      0.00000
     14      21.9692      0.00000
     15      23.0122      0.00000
     16      24.6273      0.00000

 k-point    77 :       0.3636    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.1049      2.00000
      2      -0.3616      2.00000
      3       2.9093      2.00000
      4       3.3378      2.00000
      5       6.8690      0.00000
      6       7.6853      0.00000
      7      14.2228      0.00000
      8      14.3286      0.00000
      9      17.6006      0.00000
     10      17.8994      0.00000
     11      18.0724      0.00000
     12      18.4553      0.00000
     13      20.8196      0.00000
     14      21.2367      0.00000
     15      21.8649      0.00000
     16      24.1142      0.00000

 k-point    78 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.3952      2.00000
      2      -1.1099      2.00000
      3       2.0966      2.00000
      4       3.4132      2.00000
      5       7.0360      0.00000
      6       8.9112      0.00000
      7      13.9362      0.00000
      8      14.1638      0.00000
      9      15.9591      0.00000
     10      16.1599      0.00000
     11      19.5276      0.00000
     12      20.2019      0.00000
     13      21.3774      0.00000
     14      21.5351      0.00000
     15      22.3023      0.00000
     16      24.5620      0.00000

 k-point    79 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.8700      2.00000
      2      -0.7629      2.00000
      3       2.0851      2.00000
      4       3.7736      2.00000
      5       7.4883      0.00000
      6      10.8012      0.00000
      7      12.1652      0.00000
      8      12.2835      0.00000
      9      15.7088      0.00000
     10      15.9153      0.00000
     11      19.2311      0.00000
     12      19.4117      0.00000
     13      20.2511      0.00000
     14      23.8187      0.00000
     15      24.0087      0.00000
     16      24.4646      0.00000

 k-point    80 :      -0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.2434      2.00000
      2      -0.8523      2.00000
      3       2.8978      2.00000
      4       4.2364      2.00000
      5       8.0579      0.00000
      6      10.3722      0.00000
      7      10.7624      0.00000
      8      13.0003      0.00000
      9      15.2889      0.00000
     10      15.7580      0.00000
     11      17.7182      0.00000
     12      19.0356      0.00000
     13      19.9837      0.00000
     14      21.9921      0.00000
     15      25.2143      0.00000
     16      25.4551      0.00000

 k-point    81 :      -0.0909    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9550      2.00000
      3       4.0589      2.00000
      4       4.6680      2.00000
      5       8.1783      0.00000
      6       9.3258      0.00000
      7       9.7416      0.00000
      8      14.1500      0.00000
      9      15.4617      0.00000
     10      15.8631      0.00000
     11      17.2679      0.00000
     12      18.5983      0.00000
     13      18.9435      0.00000
     14      20.1101      0.00000
     15      25.3612      0.00000
     16      26.5473      0.00000

 k-point    82 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2764      2.00000
      3       5.5506      2.00000
      4       5.5542      2.00000
      5       8.3044      0.00000
      6       9.3069      0.00000
      7       9.3325      0.00000
      8      10.4210      0.00000
      9      12.9259      0.00000
     10      13.9665      0.00000
     11      14.7313      0.00000
     12      17.6490      0.00000
     13      17.6532      0.00000
     14      18.0170      0.00000
     15      22.6409      0.00000
     16      27.8032      0.00000

 k-point    83 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6583      2.00000
      2       3.8671      2.00000
      3       5.1546      2.00000
      4       5.3447      2.00000
      5       8.3726      0.00000
      6       9.5518      0.00000
      7       9.9130      0.00000
      8      11.1398      0.00000
      9      12.7773      0.00000
     10      13.9414      0.00000
     11      15.5366      0.00000
     12      17.2415      0.00000
     13      18.4879      0.00000
     14      19.4105      0.00000
     15      23.9560      0.00000
     16      25.5569      0.00000

 k-point    84 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.2028      2.00000
      2       2.2159      2.00000
      3       4.8393      2.00000
      4       4.9729      2.00000
      5       8.5366      0.00000
      6       9.5264      0.00000
      7      10.2586      0.00000
      8      11.4969      0.00000
      9      13.9356      0.00000
     10      14.1706      0.00000
     11      15.7372      0.00000
     12      17.9734      0.00000
     13      19.9527      0.00000
     14      21.1824      0.00000
     15      23.1914      0.00000
     16      23.9275      0.00000

 k-point    85 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5776      2.00000
      2       0.6861      2.00000
      3       4.5931      2.00000
      4       4.6594      2.00000
      5       8.4286      0.00000
      6       9.4876      0.00000
      7      10.1809      0.00000
      8      12.3095      0.00000
      9      14.9790      0.00000
     10      15.1134      0.00000
     11      15.8616      0.00000
     12      19.5856      0.00000
     13      19.8308      0.00000
     14      21.3589      0.00000
     15      23.0457      0.00000
     16      23.6396      0.00000

 k-point    86 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.9045      2.00000
      2      -0.5211      2.00000
      3       4.2999      2.00000
      4       4.6243      2.00000
      5       8.3076      0.00000
      6       9.4108      0.00000
      7       9.9344      0.00000
      8      13.5839      0.00000
      9      14.9340      0.00000
     10      16.4472      0.00000
     11      17.3689      0.00000
     12      17.8871      0.00000
     13      18.8138      0.00000
     14      21.2760      0.00000
     15      23.7052      0.00000
     16      25.1962      0.00000

 k-point    87 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.6308      2.00000
      2      -0.9306      2.00000
      3       4.1262      2.00000
      4       4.7317      2.00000
      5       8.2923      0.00000
      6       9.4464      0.00000
      7       9.7432      0.00000
      8      14.2556      0.00000
      9      15.4962      0.00000
     10      15.7493      0.00000
     11      17.1636      0.00000
     12      18.4581      0.00000
     13      19.0345      0.00000
     14      19.9772      0.00000
     15      25.0754      0.00000
     16      26.2240      0.00000

 k-point    88 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.1128      2.00000
      2      -0.1808      2.00000
      3       4.0934      2.00000
      4       4.9636      2.00000
      5       8.3981      0.00000
      6       9.6149      0.00000
      7       9.6765      0.00000
      8      13.8709      0.00000
      9      14.1099      0.00000
     10      15.3779      0.00000
     11      17.6150      0.00000
     12      18.1431      0.00000
     13      20.4407      0.00000
     14      20.8516      0.00000
     15      22.9747      0.00000
     16      24.3451      0.00000

 k-point    89 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1609      2.00000
      3       4.2165      2.00000
      4       5.2896      2.00000
      5       8.6101      0.00000
      6       9.5983      0.00000
      7       9.8477      0.00000
      8      12.7868      0.00000
      9      12.9452      0.00000
     10      15.5346      0.00000
     11      15.9204      0.00000
     12      18.9593      0.00000
     13      20.2905      0.00000
     14      22.1433      0.00000
     15      22.1814      0.00000
     16      23.9783      0.00000

 k-point    90 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3726      2.00000
      2       2.7380      2.00000
      3       4.5088      2.00000
      4       5.6515      2.00000
      5       8.8797      0.00000
      6       9.3366      0.00000
      7       9.7347      0.00000
      8      12.0273      0.00000
      9      12.4434      0.00000
     10      14.4211      0.00000
     11      15.8764      0.00000
     12      17.4625      0.00000
     13      19.2434      0.00000
     14      21.1288      0.00000
     15      23.4499      0.00000
     16      24.6826      0.00000

 k-point    91 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7636      2.00000
      2       4.2687      2.00000
      3       5.0414      2.00000
      4       5.9175      2.00000
      5       8.8745      0.00000
      6       9.1187      0.00000
      7       9.1625      0.00000
      8      11.2657      0.00000
      9      12.7802      0.00000
     10      13.6787      0.00000
     11      15.2365      0.00000
     12      17.2272      0.00000
     13      17.9540      0.00000
     14      19.4185      0.00000
     15      23.3442      0.00000
     16      25.9152      0.00000

 k-point    92 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2746      2.00000
      3       5.5106      2.00000
      4       5.5947      2.00000
      5       8.3049      0.00000
      6       9.2380      0.00000
      7       9.4176      0.00000
      8      10.4059      0.00000
      9      12.9240      0.00000
     10      13.9674      0.00000
     11      14.7332      0.00000
     12      17.6201      0.00000
     13      17.6825      0.00000
     14      18.0160      0.00000
     15      22.6402      0.00000
     16      27.8664      0.00000

 k-point    93 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7695      2.00000
      2       4.2548      2.00000
      3       5.0017      2.00000
      4       5.9348      2.00000
      5       9.0515      0.00000
      6       9.0960      0.00000
      7       9.1983      0.00000
      8      11.1752      0.00000
      9      12.8366      0.00000
     10      13.6740      0.00000
     11      15.1864      0.00000
     12      17.2187      0.00000
     13      17.9245      0.00000
     14      19.3789      0.00000
     15      23.2937      0.00000
     16      25.5815      0.00000

 k-point    94 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3812      2.00000
      2       2.7580      2.00000
      3       4.4430      2.00000
      4       5.6577      2.00000
      5       8.9488      0.00000
      6       9.4478      0.00000
      7       9.7098      0.00000
      8      12.0733      0.00000
      9      12.5154      0.00000
     10      14.2869      0.00000
     11      15.8399      0.00000
     12      17.4236      0.00000
     13      19.2414      0.00000
     14      21.0677      0.00000
     15      23.1343      0.00000
     16      24.6870      0.00000

 k-point    95 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8070      2.00000
      2       1.1809      2.00000
      3       4.1657      2.00000
      4       5.2916      2.00000
      5       8.6600      0.00000
      6       9.7093      0.00000
      7       9.7853      0.00000
      8      12.9699      0.00000
      9      12.9922      0.00000
     10      15.4895      0.00000
     11      15.6890      0.00000
     12      18.8736      0.00000
     13      20.1918      0.00000
     14      22.0832      0.00000
     15      22.1787      0.00000
     16      24.1308      0.00000

 k-point    96 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1241      2.00000
      2      -0.1661      2.00000
      3       4.0647      2.00000
      4       4.9665      2.00000
      5       8.4365      0.00000
      6       9.5571      0.00000
      7       9.7574      0.00000
      8      14.0153      0.00000
      9      14.1887      0.00000
     10      15.3510      0.00000
     11      17.3163      0.00000
     12      17.9334      0.00000
     13      20.6278      0.00000
     14      20.8958      0.00000
     15      23.0066      0.00000
     16      24.3862      0.00000

 k-point    97 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.6351      2.00000
      2      -0.9291      2.00000
      3       4.1210      2.00000
      4       4.7399      2.00000
      5       8.3217      0.00000
      6       9.3610      0.00000
      7       9.8259      0.00000
      8      14.2024      0.00000
      9      15.4067      0.00000
     10      15.8540      0.00000
     11      17.2186      0.00000
     12      18.6132      0.00000
     13      18.8543      0.00000
     14      19.9431      0.00000
     15      25.0849      0.00000
     16      26.2537      0.00000

 k-point    98 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.8985      2.00000
      2      -0.5360      2.00000
      3       4.3168      2.00000
      4       4.6407      2.00000
      5       8.3307      0.00000
      6       9.3020      0.00000
      7      10.0088      0.00000
      8      13.3667      0.00000
      9      14.9009      0.00000
     10      16.5686      0.00000
     11      17.5424      0.00000
     12      18.0143      0.00000
     13      18.9187      0.00000
     14      20.9797      0.00000
     15      23.6997      0.00000
     16      25.2093      0.00000

 k-point    99 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.5703      2.00000
      2       0.6642      2.00000
      3       4.6274      2.00000
      4       4.6847      2.00000
      5       8.4495      0.00000
      6       9.3409      0.00000
      7      10.2521      0.00000
      8      12.1161      0.00000
      9      15.0407      0.00000
     10      15.1328      0.00000
     11      15.9623      0.00000
     12      19.7124      0.00000
     13      19.9216      0.00000
     14      21.3750      0.00000
     15      23.1048      0.00000
     16      23.5370      0.00000

 k-point   100 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.1973      2.00000
      2       2.1917      2.00000
      3       4.8755      2.00000
      4       5.0099      2.00000
      5       8.5523      0.00000
      6       9.3244      0.00000
      7      10.3388      0.00000
      8      11.3918      0.00000
      9      14.0535      0.00000
     10      14.1779      0.00000
     11      15.7179      0.00000
     12      18.0171      0.00000
     13      19.9859      0.00000
     14      21.2031      0.00000
     15      23.3897      0.00000
     16      24.0536      0.00000

 k-point   101 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6555      2.00000
      2       3.8466      2.00000
      3       5.1978      2.00000
      4       5.3591      2.00000
      5       8.3487      0.00000
      6       9.3773      0.00000
      7      10.0052      0.00000
      8      11.1446      0.00000
      9      12.7995      0.00000
     10      13.9451      0.00000
     11      15.5456      0.00000
     12      17.2357      0.00000
     13      18.5282      0.00000
     14      19.4144      0.00000
     15      23.9774      0.00000
     16      25.7428      0.00000

 k-point   102 :       0.0000    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.6524      2.00000
      2       3.9315      2.00000
      3       5.0951      2.00000
      4       5.3327      2.00000
      5       8.3459      0.00000
      6       9.5264      0.00000
      7       9.8609      0.00000
      8      11.1799      0.00000
      9      12.7750      0.00000
     10      13.8994      0.00000
     11      15.5741      0.00000
     12      17.2567      0.00000
     13      18.5109      0.00000
     14      19.4742      0.00000
     15      23.9963      0.00000
     16      25.7455      0.00000

 k-point   103 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5330      2.00000
      2      -0.7074      2.00000
      3       3.3058      2.00000
      4       4.3487      2.00000
      5       8.8853      0.00000
      6       9.2024      0.00000
      7      10.8718      0.00000
      8      13.1794      0.00000
      9      14.9695      0.00000
     10      16.0555      0.00000
     11      17.4173      0.00000
     12      18.8774      0.00000
     13      19.9025      0.00000
     14      21.4043      0.00000
     15      23.9424      0.00000
     16      25.7310      0.00000

 k-point   104 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2763      2.00000
      3       3.4100      2.00000
      4       4.5687      2.00000
      5       8.8716      0.00000
      6       9.4294      0.00000
      7      10.9295      0.00000
      8      11.7185      0.00000
      9      14.8401      0.00000
     10      16.0415      0.00000
     11      18.0014      0.00000
     12      18.1430      0.00000
     13      20.4912      0.00000
     14      21.4903      0.00000
     15      22.9896      0.00000
     16      24.0096      0.00000

 k-point   105 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6458      2.00000
      3       3.6574      2.00000
      4       4.9187      2.00000
      5       8.7726      0.00000
      6       9.6762      0.00000
      7      10.7599      0.00000
      8      10.9909      0.00000
      9      13.7322      0.00000
     10      16.1802      0.00000
     11      16.5628      0.00000
     12      18.4655      0.00000
     13      20.0550      0.00000
     14      21.5759      0.00000
     15      22.2162      0.00000
     16      24.4026      0.00000

 k-point   106 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3289      2.00000
      2       3.0279      2.00000
      3       4.1820      2.00000
      4       5.2259      2.00000
      5       8.4029      0.00000
      6       9.7941      0.00000
      7      10.5004      0.00000
      8      10.8595      0.00000
      9      13.2037      0.00000
     10      14.5843      0.00000
     11      16.4310      0.00000
     12      17.6581      0.00000
     13      18.8593      0.00000
     14      20.8109      0.00000
     15      23.4180      0.00000
     16      25.1192      0.00000

 k-point   107 :      -0.0000    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.1841      2.00000
      2       2.2822      2.00000
      3       4.7682      2.00000
      4       4.9257      2.00000
      5       8.4680      0.00000
      6       9.5117      0.00000
      7      10.2201      0.00000
      8      11.5060      0.00000
      9      13.9644      0.00000
     10      14.0665      0.00000
     11      15.6976      0.00000
     12      18.1373      0.00000
     13      20.0590      0.00000
     14      21.3093      0.00000
     15      23.3286      0.00000
     16      23.9413      0.00000

 k-point   108 :       0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3632      2.00000
      2       2.8089      2.00000
      3       4.4263      2.00000
      4       5.6238      2.00000
      5       8.8166      0.00000
      6       9.3631      0.00000
      7       9.7201      0.00000
      8      12.0641      0.00000
      9      12.4348      0.00000
     10      14.3388      0.00000
     11      15.8428      0.00000
     12      17.5419      0.00000
     13      19.3509      0.00000
     14      21.1708      0.00000
     15      23.4163      0.00000
     16      24.7642      0.00000

 k-point   109 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3287      2.00000
      2       3.0306      2.00000
      3       4.1785      2.00000
      4       5.2287      2.00000
      5       8.4036      0.00000
      6       9.7811      0.00000
      7      10.5026      0.00000
      8      10.8643      0.00000
      9      13.2078      0.00000
     10      14.5834      0.00000
     11      16.4270      0.00000
     12      17.6577      0.00000
     13      18.8609      0.00000
     14      20.8105      0.00000
     15      23.4184      0.00000
     16      25.1072      0.00000

 k-point   110 :      -0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7153      2.00000
      3       3.5693      2.00000
      4       4.8761      2.00000
      5       8.6879      0.00000
      6       9.7405      0.00000
      7      10.8370      0.00000
      8      11.0014      0.00000
      9      13.6672      0.00000
     10      16.0923      0.00000
     11      16.5262      0.00000
     12      18.5448      0.00000
     13      20.1314      0.00000
     14      21.5487      0.00000
     15      22.2742      0.00000
     16      24.2981      0.00000

 k-point   111 :       0.0000    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.5373      2.00000
      2       0.7286      2.00000
      3       4.5313      2.00000
      4       4.5822      2.00000
      5       8.3212      0.00000
      6       9.4661      0.00000
      7      10.1259      0.00000
      8      12.3582      0.00000
      9      14.9907      0.00000
     10      14.9961      0.00000
     11      15.8082      0.00000
     12      19.8460      0.00000
     13      19.9336      0.00000
     14      21.5104      0.00000
     15      23.1415      0.00000
     16      23.7532      0.00000

 k-point   112 :       0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7692      2.00000
      2       1.2188      2.00000
      3       4.1242      2.00000
      4       5.2416      2.00000
      5       8.5165      0.00000
      6       9.6248      0.00000
      7       9.7914      0.00000
      8      12.8307      0.00000
      9      12.9949      0.00000
     10      15.4417      0.00000
     11      15.7696      0.00000
     12      19.1364      0.00000
     13      20.4218      0.00000
     14      22.2346      0.00000
     15      22.3246      0.00000
     16      24.1275      0.00000

 k-point   113 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7961      2.00000
      2       1.6951      2.00000
      3       3.5934      2.00000
      4       4.8913      2.00000
      5       8.7504      0.00000
      6       9.6427      0.00000
      7      10.7382      0.00000
      8      11.0093      0.00000
      9      13.7766      0.00000
     10      16.0893      0.00000
     11      16.4719      0.00000
     12      18.5870      0.00000
     13      20.1556      0.00000
     14      21.5736      0.00000
     15      22.3276      0.00000
     16      24.5170      0.00000

 k-point   114 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6151      2.00000
      2       1.7363      2.00000
      3       3.4453      2.00000
      4       4.1914      2.00000
      5       7.8264      0.00000
      6       9.3625      0.00000
      7      11.1238      0.00000
      8      12.1852      0.00000
      9      14.6931      0.00000
     10      16.2443      0.00000
     11      17.7034      0.00000
     12      18.6755      0.00000
     13      20.0480      0.00000
     14      21.4956      0.00000
     15      21.6415      0.00000
     16      23.8627      0.00000

 k-point   115 :      -0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5231      2.00000
      2      -0.0516      2.00000
      3       2.1947      2.00000
      4       4.0945      2.00000
      5       8.9065      0.00000
      6       9.8125      0.00000
      7      11.8206      0.00000
      8      12.3139      0.00000
      9      14.6151      0.00000
     10      14.9619      0.00000
     11      18.5465      0.00000
     12      20.3892      0.00000
     13      20.8228      0.00000
     14      21.4083      0.00000
     15      24.0629      0.00000
     16      24.2980      0.00000

 k-point   116 :      -0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1121      2.00000
      2       0.3291      2.00000
      3       3.3098      2.00000
      4       4.5174      2.00000
      5       8.7118      0.00000
      6       9.4404      0.00000
      7      10.9044      0.00000
      8      11.9796      0.00000
      9      14.7540      0.00000
     10      15.9396      0.00000
     11      17.8425      0.00000
     12      18.1603      0.00000
     13      20.4831      0.00000
     14      21.6224      0.00000
     15      23.2202      0.00000
     16      24.3645      0.00000

 k-point   117 :      -0.0000    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.8290      2.00000
      2      -0.5187      2.00000
      3       4.2328      2.00000
      4       4.5489      2.00000
      5       8.1812      0.00000
      6       9.3756      0.00000
      7       9.8581      0.00000
      8      13.6475      0.00000
      9      14.8848      0.00000
     10      16.4334      0.00000
     11      17.3201      0.00000
     12      17.9499      0.00000
     13      18.8980      0.00000
     14      21.5364      0.00000
     15      23.9078      0.00000
     16      25.3656      0.00000

 k-point   118 :       0.0909    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0558      2.00000
      2      -0.1595      2.00000
      3       4.0093      2.00000
      4       4.9044      2.00000
      5       8.2897      0.00000
      6       9.5283      0.00000
      7       9.6780      0.00000
      8      13.9137      0.00000
      9      14.1764      0.00000
     10      15.3236      0.00000
     11      17.4219      0.00000
     12      18.1377      0.00000
     13      20.6534      0.00000
     14      21.1450      0.00000
     15      23.1200      0.00000
     16      24.5644      0.00000

 k-point   119 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1077      2.00000
      2       0.3067      2.00000
      3       3.3449      2.00000
      4       4.5175      2.00000
      5       8.8029      0.00000
      6       9.3856      0.00000
      7      10.8650      0.00000
      8      11.7970      0.00000
      9      14.9153      0.00000
     10      15.9240      0.00000
     11      17.8348      0.00000
     12      18.1669      0.00000
     13      20.7322      0.00000
     14      21.6467      0.00000
     15      23.1957      0.00000
     16      24.1367      0.00000

 k-point   120 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9708      2.00000
      2       0.6214      2.00000
      3       2.8774      2.00000
      4       3.8427      2.00000
      5       8.2022      0.00000
      6       9.7447      0.00000
      7      10.7932      0.00000
      8      12.5090      0.00000
      9      15.6413      0.00000
     10      16.8790      0.00000
     11      18.1385      0.00000
     12      18.6917      0.00000
     13      20.5896      0.00000
     14      21.0630      0.00000
     15      22.7153      0.00000
     16      24.3987      0.00000

 k-point   121 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6424      2.00000
      2       0.3486      2.00000
      3       2.9589      2.00000
      4       3.3633      2.00000
      5       7.4547      0.00000
      6       8.2989      0.00000
      7      12.5278      0.00000
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     11      18.1536      0.00000
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     13      20.3586      0.00000
     14      21.0488      0.00000
     15      22.4792      0.00000
     16      23.1290      0.00000

 k-point   122 :      -0.2727    0.4545    0.0909
  band No.  band energies     occupation 
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      2      -1.0456      2.00000
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     10      16.3296      0.00000
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     13      22.0437      0.00000
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     15      23.5944      0.00000
     16      24.4616      0.00000

 k-point   123 :      -0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9694      2.00000
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     10      16.1763      0.00000
     11      18.3041      0.00000
     12      19.2707      0.00000
     13      22.2816      0.00000
     14      22.3442      0.00000
     15      23.7564      0.00000
     16      24.6402      0.00000

 k-point   124 :      -0.0909   -0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.4539      2.00000
      2      -0.7101      2.00000
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     10      15.9635      0.00000
     11      17.3619      0.00000
     12      18.7328      0.00000
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     14      21.9537      0.00000
     15      24.1538      0.00000
     16      25.9457      0.00000

 k-point   125 :      -0.0000   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5297      2.00000
      2      -0.9568      2.00000
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      5       8.1559      0.00000
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     10      15.7291      0.00000
     11      17.2127      0.00000
     12      18.5185      0.00000
     13      19.0344      0.00000
     14      20.1576      0.00000
     15      25.3458      0.00000
     16      26.5178      0.00000

 k-point   126 :       0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9550      2.00000
      3       4.0581      2.00000
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     10      15.8627      0.00000
     11      17.2675      0.00000
     12      18.5969      0.00000
     13      18.9446      0.00000
     14      20.1102      0.00000
     15      25.3598      0.00000
     16      26.5465      0.00000

 k-point   127 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.4533      2.00000
      2      -0.7240      2.00000
      3       3.2570      2.00000
      4       4.2842      2.00000
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     10      16.0726      0.00000
     11      17.4936      0.00000
     12      18.9802      0.00000
     13      19.7682      0.00000
     14      21.6198      0.00000
     15      24.1655      0.00000
     16      25.9739      0.00000

 k-point   128 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.2605      2.00000
      2      -0.4353      2.00000
      3       2.4937      2.00000
      4       3.6671      2.00000
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     10      16.9907      0.00000
     11      18.0622      0.00000
     12      19.3119      0.00000
     13      20.0716      0.00000
     14      22.7871      0.00000
     15      24.0066      0.00000
     16      24.9130      0.00000

 k-point   129 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9284      2.00000
      2      -0.5111      2.00000
      3       2.3204      2.00000
      4       3.1551      2.00000
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     10      17.5521      0.00000
     11      18.4768      0.00000
     12      20.1129      0.00000
     13      20.6205      0.00000
     14      21.4053      0.00000
     15      23.3606      0.00000
     16      24.0430      0.00000

 k-point   130 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4454      2.00000
      2      -1.0834      2.00000
      3       2.7635      2.00000
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     10      17.5850      0.00000
     11      18.3083      0.00000
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     13      20.1220      0.00000
     14      21.6966      0.00000
     15      22.8151      0.00000
     16      24.3329      0.00000

 k-point   131 :      -0.3636   -0.4545   -0.9091
  band No.  band energies     occupation 
      1      -2.4156      2.00000
      2      -1.1175      2.00000
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     10      17.5854      0.00000
     11      18.2974      0.00000
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     13      20.3026      0.00000
     14      21.5147      0.00000
     15      22.7006      0.00000
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 k-point   132 :      -0.2727    0.5455    0.0909
  band No.  band energies     occupation 
      1      -2.9032      2.00000
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      3       2.3011      2.00000
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     10      17.3493      0.00000
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     14      21.4150      0.00000
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 k-point   133 :      -0.1818    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.2411      2.00000
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     10      16.7842      0.00000
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 k-point   134 :      -0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.4406      2.00000
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     10      15.9703      0.00000
     11      17.3841      0.00000
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     13      20.0624      0.00000
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     16      25.9588      0.00000

 k-point   135 :      -0.0000   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.0441      2.00000
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     10      15.3349      0.00000
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     15      23.0916      0.00000
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 k-point   136 :       0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.8223      2.00000
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     10      16.5189      0.00000
     11      17.4909      0.00000
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     15      23.9076      0.00000
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 k-point   137 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.4534      2.00000
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     14      21.6219      0.00000
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 k-point   138 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9761      2.00000
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     14      22.3160      0.00000
     15      23.6958      0.00000
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 k-point   139 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4307      2.00000
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     10      16.4946      0.00000
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     14      22.3650      0.00000
     15      23.6698      0.00000
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 k-point   140 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.9224      2.00000
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     10      16.5901      0.00000
     11      19.2450      0.00000
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     14      22.5491      0.00000
     15      22.9275      0.00000
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 k-point   141 :      -0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6185      2.00000
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     10      17.6854      0.00000
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     15      22.5222      0.00000
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 k-point   142 :      -0.1818   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.9506      2.00000
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     13      20.4431      0.00000
     14      21.0565      0.00000
     15      22.7566      0.00000
     16      24.5095      0.00000

 k-point   143 :      -0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.0915      2.00000
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      3       3.3555      2.00000
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     10      16.0341      0.00000
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     13      20.5293      0.00000
     14      21.6162      0.00000
     15      23.1847      0.00000
     16      24.1433      0.00000

 k-point   144 :       0.0000   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7581      2.00000
      2       1.1982      2.00000
      3       4.1749      2.00000
      4       5.2416      2.00000
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     10      15.4820      0.00000
     11      16.0085      0.00000
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     14      22.3008      0.00000
     15      22.3415      0.00000
     16      24.0030      0.00000

 k-point   145 :       0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5296      2.00000
      2       0.7063      2.00000
      3       4.5679      2.00000
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     11      15.9416      0.00000
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     14      21.5367      0.00000
     15      23.2014      0.00000
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 k-point   146 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1079      2.00000
      2       0.3069      2.00000
      3       3.3454      2.00000
      4       4.5169      2.00000
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     10      15.9243      0.00000
     11      17.8332      0.00000
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     14      21.6477      0.00000
     15      23.1974      0.00000
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 k-point   147 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2      -0.0665      2.00000
      3       2.2191      2.00000
      4       4.0849      2.00000
      5       8.9147      0.00000
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     10      14.9666      0.00000
     11      18.5028      0.00000
     12      20.3757      0.00000
     13      21.0459      0.00000
     14      21.4644      0.00000
     15      23.7939      0.00000
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 k-point   148 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.8541      2.00000
      2      -0.5988      2.00000
      3       1.6502      2.00000
      4       3.6312      2.00000
      5       8.4015      0.00000
      6      11.1786      0.00000
      7      11.9489      0.00000
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     10      14.9784      0.00000
     11      20.3491      0.00000
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     13      21.0364      0.00000
     14      22.8690      0.00000
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     16      24.0358      0.00000

 k-point   149 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.4817      2.00000
      2      -0.9808      2.00000
      3       1.7452      2.00000
      4       3.3133      2.00000
      5       8.0146      0.00000
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     10      16.1808      0.00000
     11      19.1931      0.00000
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     13      22.1190      0.00000
     14      22.3730      0.00000
     15      23.3608      0.00000
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 k-point   150 :       0.5455   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9585      2.00000
      2      -0.4738      2.00000
      3       2.2731      2.00000
      4       3.2006      2.00000
      5       7.7882      0.00000
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     10      17.2962      0.00000
     11      18.1448      0.00000
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     14      21.4227      0.00000
     15      23.3648      0.00000
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 k-point   151 :      -0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5972      2.00000
      2       1.7149      2.00000
      3       3.4708      2.00000
      4       4.2012      2.00000
      5       7.7837      0.00000
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     10      16.3920      0.00000
     11      17.7700      0.00000
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     13      20.1737      0.00000
     14      21.6317      0.00000
     15      21.8073      0.00000
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 k-point   152 :      -0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7815      2.00000
      2       1.6763      2.00000
      3       3.6311      2.00000
      4       4.8894      2.00000
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     10      16.3016      0.00000
     11      16.5578      0.00000
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     13      20.2368      0.00000
     14      21.7578      0.00000
     15      22.3338      0.00000
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 k-point   153 :      -0.0000   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3544      2.00000
      2       2.7891      2.00000
      3       4.4915      2.00000
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     10      14.4843      0.00000
     11      15.8751      0.00000
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     13      19.3502      0.00000
     14      21.2351      0.00000
     15      23.7341      0.00000
     16      24.7694      0.00000

 k-point   154 :       0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.1784      2.00000
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      3       4.8004      2.00000
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     10      14.1683      0.00000
     11      15.6761      0.00000
     12      18.1808      0.00000
     13      20.0865      0.00000
     14      21.3302      0.00000
     15      23.4576      0.00000
     16      24.1387      0.00000

 k-point   155 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.6953      2.00000
      3       3.5941      2.00000
      4       4.8907      2.00000
      5       8.7512      0.00000
      6       9.6419      0.00000
      7      10.7384      0.00000
      8      11.0094      0.00000
      9      13.7765      0.00000
     10      16.0879      0.00000
     11      16.4728      0.00000
     12      18.5879      0.00000
     13      20.1551      0.00000
     14      21.5734      0.00000
     15      22.3272      0.00000
     16      24.5167      0.00000

 k-point   156 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2301      2.00000
      2       0.9463      2.00000
      3       2.6010      2.00000
      4       4.5298      2.00000
      5       9.3808      0.00000
      6       9.4948      0.00000
      7      10.7484      0.00000
      8      11.8749      0.00000
      9      13.7122      0.00000
     10      16.6894      0.00000
     11      18.2934      0.00000
     12      18.6493      0.00000
     13      19.7433      0.00000
     14      22.0923      0.00000
     15      22.4625      0.00000
     16      25.0940      0.00000

 k-point   157 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5501      2.00000
      2      -0.0571      2.00000
      3       2.2237      2.00000
      4       4.1182      2.00000
      5       8.9264      0.00000
      6       9.8866      0.00000
      7      11.7258      0.00000
      8      12.3965      0.00000
      9      14.5406      0.00000
     10      14.9903      0.00000
     11      18.6700      0.00000
     12      20.4540      0.00000
     13      20.6640      0.00000
     14      21.2690      0.00000
     15      23.8867      0.00000
     16      24.3072      0.00000

 k-point   158 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.0463      2.00000
      2      -0.7503      2.00000
      3       2.2319      2.00000
      4       3.8271      2.00000
      5       8.5445      0.00000
      6      10.0951      0.00000
      7      12.4976      0.00000
      8      12.9731      0.00000
      9      13.4631      0.00000
     10      16.0564      0.00000
     11      18.3584      0.00000
     12      19.2002      0.00000
     13      22.0982      0.00000
     14      22.5348      0.00000
     15      23.5296      0.00000
     16      24.6902      0.00000

 k-point   159 :       0.5455   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.3173      2.00000
      2      -0.3913      2.00000
      3       2.4586      2.00000
      4       3.7390      2.00000
      5       8.3144      0.00000
      6      10.3671      0.00000
      7      11.2556      0.00000
      8      12.6397      0.00000
      9      15.2565      0.00000
     10      16.7631      0.00000
     11      17.8275      0.00000
     12      19.2049      0.00000
     13      20.2296      0.00000
     14      22.5782      0.00000
     15      24.2996      0.00000
     16      24.8296      0.00000

 k-point   160 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.9937      2.00000
      2       0.6364      2.00000
      3       2.8488      2.00000
      4       3.8877      2.00000
      5       8.1753      0.00000
      6       9.8134      0.00000
      7      10.8282      0.00000
      8      12.6454      0.00000
      9      15.4362      0.00000
     10      16.9772      0.00000
     11      18.2269      0.00000
     12      18.7048      0.00000
     13      20.2263      0.00000
     14      20.9928      0.00000
     15      22.5648      0.00000
     16      24.5736      0.00000

 k-point   161 :      -0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3168      2.00000
      2       3.0312      2.00000
      3       4.2136      2.00000
      4       5.2202      2.00000
      5       8.3477      0.00000
      6       9.6818      0.00000
      7      10.4491      0.00000
      8      10.8528      0.00000
      9      13.1753      0.00000
     10      14.6634      0.00000
     11      16.4765      0.00000
     12      17.6498      0.00000
     13      18.9292      0.00000
     14      20.9086      0.00000
     15      23.7149      0.00000
     16      25.1256      0.00000

 k-point   162 :      -0.0000   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7577      2.00000
      2       4.2883      2.00000
      3       5.0747      2.00000
      4       5.9032      2.00000
      5       8.8281      0.00000
      6       8.9891      0.00000
      7       9.1429      0.00000
      8      11.3576      0.00000
      9      12.7256      0.00000
     10      13.6887      0.00000
     11      15.2810      0.00000
     12      17.2358      0.00000
     13      17.9814      0.00000
     14      19.4600      0.00000
     15      23.3958      0.00000
     16      26.2432      0.00000

 k-point   163 :       0.0909   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6494      2.00000
      2       3.9129      2.00000
      3       5.1338      2.00000
      4       5.3532      2.00000
      5       8.3261      0.00000
      6       9.3394      0.00000
      7       9.9437      0.00000
      8      11.1933      0.00000
      9      12.8050      0.00000
     10      13.9023      0.00000
     11      15.5775      0.00000
     12      17.2538      0.00000
     13      18.5491      0.00000
     14      19.4798      0.00000
     15      24.0198      0.00000
     16      25.8737      0.00000

 k-point   164 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3288      2.00000
      2       3.0305      2.00000
      3       4.1792      2.00000
      4       5.2283      2.00000
      5       8.4044      0.00000
      6       9.7806      0.00000
      7      10.5028      0.00000
      8      10.8638      0.00000
      9      13.2076      0.00000
     10      14.5828      0.00000
     11      16.4271      0.00000
     12      17.6591      0.00000
     13      18.8626      0.00000
     14      20.8095      0.00000
     15      23.4160      0.00000
     16      25.1059      0.00000

 k-point   165 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8122      2.00000
      2       1.6669      2.00000
      3       3.6304      2.00000
      4       4.9086      2.00000
      5       8.7143      0.00000
      6       9.7619      0.00000
      7      10.8678      0.00000
      8      10.9724      0.00000
      9      13.6281      0.00000
     10      16.1856      0.00000
     11      16.6104      0.00000
     12      18.4232      0.00000
     13      20.0296      0.00000
     14      21.5523      0.00000
     15      22.1461      0.00000
     16      24.1872      0.00000

 k-point   166 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1496      2.00000
      2       0.2983      2.00000
      3       3.3738      2.00000
      4       4.5719      2.00000
      5       8.7768      0.00000
      6       9.4817      0.00000
      7      10.9736      0.00000
      8      11.8972      0.00000
      9      14.6735      0.00000
     10      16.0613      0.00000
     11      18.0087      0.00000
     12      18.1388      0.00000
     13      20.2431      0.00000
     14      21.4653      0.00000
     15      23.0133      0.00000
     16      24.2341      0.00000

 k-point   167 :      -0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5328      2.00000
      2      -0.6942      2.00000
      3       3.2708      2.00000
      4       4.3676      2.00000
      5       8.7891      0.00000
      6       9.2274      0.00000
      7      10.9055      0.00000
      8      13.4097      0.00000
      9      14.9818      0.00000
     10      15.9256      0.00000
     11      17.2949      0.00000
     12      18.6294      0.00000
     13      19.9194      0.00000
     14      21.7339      0.00000
     15      23.9271      0.00000
     16      25.7025      0.00000

 k-point   168 :       0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5327      2.00000
      2      -0.6943      2.00000
      3       3.2706      2.00000
      4       4.3679      2.00000
      5       8.7887      0.00000
      6       9.2279      0.00000
      7      10.9054      0.00000
      8      13.4084      0.00000
      9      14.9827      0.00000
     10      15.9263      0.00000
     11      17.2947      0.00000
     12      18.6292      0.00000
     13      19.9213      0.00000
     14      21.7317      0.00000
     15      23.9252      0.00000
     16      25.7022      0.00000

 k-point   169 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1494      2.00000
      2       0.2981      2.00000
      3       3.3734      2.00000
      4       4.5724      2.00000
      5       8.7761      0.00000
      6       9.4826      0.00000
      7      10.9733      0.00000
      8      11.8962      0.00000
      9      14.6739      0.00000
     10      16.0611      0.00000
     11      18.0104      0.00000
     12      18.1396      0.00000
     13      20.2426      0.00000
     14      21.4644      0.00000
     15      23.0118      0.00000
     16      24.2325      0.00000

 k-point   170 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8120      2.00000
      2       1.6668      2.00000
      3       3.6298      2.00000
      4       4.9092      2.00000
      5       8.7135      0.00000
      6       9.7627      0.00000
      7      10.8674      0.00000
      8      10.9722      0.00000
      9      13.6282      0.00000
     10      16.1870      0.00000
     11      16.6096      0.00000
     12      18.4222      0.00000
     13      20.0299      0.00000
     14      21.5527      0.00000
     15      22.1463      0.00000
     16      24.1876      0.00000

 k-point   171 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4699      2.00000
      2       3.7781      2.00000
      3       4.7001      2.00000
      4       4.7009      2.00000
      5       7.6466      0.00000
      6      10.2408      0.00000
      7      10.7068      0.00000
      8      10.7237      0.00000
      9      13.0383      0.00000
     10      14.4530      0.00000
     11      16.2393      0.00000
     12      18.3931      0.00000
     13      18.3956      0.00000
     14      19.0156      0.00000
     15      25.1479      0.00000
     16      25.4102      0.00000

 k-point   172 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0820      2.00000
      2       2.5887      2.00000
      3       4.2621      2.00000
      4       4.3597      2.00000
      5       7.7230      0.00000
      6       9.8361      0.00000
      7      11.0702      0.00000
      8      11.2909      0.00000
      9      14.2542      0.00000
     10      14.8076      0.00000
     11      17.0081      0.00000
     12      18.3582      0.00000
     13      19.2756      0.00000
     14      20.5487      0.00000
     15      23.1443      0.00000
     16      23.7826      0.00000

 k-point   173 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.5086      2.00000
      2       1.1825      2.00000
      3       3.7334      2.00000
      4       4.1662      2.00000
      5       7.9564      0.00000
      6      10.2169      0.00000
      7      10.9073      0.00000
      8      11.3619      0.00000
      9      15.6094      0.00000
     10      16.0202      0.00000
     11      16.7642      0.00000
     12      19.4427      0.00000
     13      19.5612      0.00000
     14      21.2944      0.00000
     15      22.1825      0.00000
     16      23.5076      0.00000

 k-point   174 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.8251      2.00000
      2      -0.0796      2.00000
      3       3.2631      2.00000
      4       4.1389      2.00000
      5       7.9987      0.00000
      6      10.6697      0.00000
      7      11.0965      0.00000
      8      11.4670      0.00000
      9      16.1209      0.00000
     10      16.9424      0.00000
     11      17.7148      0.00000
     12      17.9158      0.00000
     13      18.9707      0.00000
     14      22.3164      0.00000
     15      23.9001      0.00000
     16      24.4211      0.00000

 k-point   175 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.3364      2.00000
      2      -0.8061      2.00000
      3       2.9323      2.00000
      4       4.2758      2.00000
      5       8.1094      0.00000
      6      10.5293      0.00000
      7      10.8014      0.00000
      8      13.1112      0.00000
      9      15.2358      0.00000
     10      15.6196      0.00000
     11      17.7212      0.00000
     12      18.9092      0.00000
     13      19.8313      0.00000
     14      22.1446      0.00000
     15      24.9205      0.00000
     16      25.2140      0.00000

 k-point   176 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6138      2.00000
      2      -0.4031      2.00000
      3       2.7808      2.00000
      4       4.5597      2.00000
      5       8.3777      0.00000
      6      10.4807      0.00000
      7      10.5901      0.00000
      8      13.7635      0.00000
      9      13.9624      0.00000
     10      14.9042      0.00000
     11      17.6004      0.00000
     12      20.2357      0.00000
     13      20.8771      0.00000
     14      21.3353      0.00000
     15      22.6663      0.00000
     16      25.0120      0.00000

 k-point   177 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2879      2.00000
      2       0.7301      2.00000
      3       2.8562      2.00000
      4       4.9513      2.00000
      5       8.7647      0.00000
      6      10.3228      0.00000
      7      10.5215      0.00000
      8      12.4613      0.00000
      9      12.6109      0.00000
     10      16.3738      0.00000
     11      18.1612      0.00000
     12      18.3208      0.00000
     13      20.0837      0.00000
     14      22.1576      0.00000
     15      22.8284      0.00000
     16      23.9758      0.00000

 k-point   178 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9101      2.00000
      2       1.9678      2.00000
      3       3.3136      2.00000
      4       5.3653      2.00000
      5       9.1032      0.00000
      6       9.8489      0.00000
      7      10.1545      0.00000
      8      11.8493      0.00000
      9      12.1337      0.00000
     10      16.2370      0.00000
     11      16.8562      0.00000
     12      17.8240      0.00000
     13      19.9590      0.00000
     14      21.2739      0.00000
     15      22.7718      0.00000
     16      24.9487      0.00000

 k-point   179 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0307      2.00000
      3       4.1437      2.00000
      4       5.2367      2.00000
      5       8.4646      0.00000
      6       9.8976      0.00000
      7      10.5409      0.00000
      8      10.8680      0.00000
      9      13.2279      0.00000
     10      14.5235      0.00000
     11      16.3754      0.00000
     12      17.6653      0.00000
     13      18.7848      0.00000
     14      20.7173      0.00000
     15      23.1246      0.00000
     16      25.1159      0.00000

 k-point   180 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.8265      2.00000
      2       1.6848      2.00000
      3       3.5936      2.00000
      4       4.9103      2.00000
      5       8.7965      0.00000
      6       9.7844      0.00000
      7      10.8529      0.00000
      8      11.0483      0.00000
      9      13.7965      0.00000
     10      15.9871      0.00000
     11      16.5190      0.00000
     12      18.4143      0.00000
     13      19.9410      0.00000
     14      21.3809      0.00000
     15      22.1530      0.00000
     16      24.3623      0.00000

 k-point   181 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1654      2.00000
      2       0.3129      2.00000
      3       3.3633      2.00000
      4       4.5608      2.00000
      5       8.8632      0.00000
      6       9.4899      0.00000
      7      10.9663      0.00000
      8      11.9239      0.00000
      9      14.9030      0.00000
     10      15.9324      0.00000
     11      17.7297      0.00000
     12      17.9841      0.00000
     13      20.4374      0.00000
     14      21.4966      0.00000
     15      23.0258      0.00000
     16      24.2318      0.00000

 k-point   182 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5451      2.00000
      2      -0.6894      2.00000
      3       3.2884      2.00000
      4       4.3465      2.00000
      5       8.8757      0.00000
      6       9.2279      0.00000
      7      10.8838      0.00000
      8      13.4223      0.00000
      9      14.7630      0.00000
     10      16.0554      0.00000
     11      17.4019      0.00000
     12      18.8155      0.00000
     13      19.6193      0.00000
     14      21.7183      0.00000
     15      23.9745      0.00000
     16      25.7185      0.00000

 k-point   183 :       0.6364    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5330      2.00000
      2      -0.7075      2.00000
      3       3.3052      2.00000
      4       4.3491      2.00000
      5       8.8864      0.00000
      6       9.2031      0.00000
      7      10.8708      0.00000
      8      13.1797      0.00000
      9      14.9706      0.00000
     10      16.0552      0.00000
     11      17.4160      0.00000
     12      18.8753      0.00000
     13      19.9043      0.00000
     14      21.4041      0.00000
     15      23.9401      0.00000
     16      25.7309      0.00000

 k-point   184 :      -0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1458      2.00000
      2       0.2762      2.00000
      3       3.4094      2.00000
      4       4.5693      2.00000
      5       8.8722      0.00000
      6       9.4304      0.00000
      7      10.9285      0.00000
      8      11.7188      0.00000
      9      14.8393      0.00000
     10      16.0410      0.00000
     11      18.0031      0.00000
     12      18.1439      0.00000
     13      20.4893      0.00000
     14      21.4891      0.00000
     15      22.9881      0.00000
     16      24.0094      0.00000

 k-point   185 :      -0.1818    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.8097      2.00000
      2       1.6456      2.00000
      3       3.6568      2.00000
      4       4.9193      2.00000
      5       8.7729      0.00000
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      7      10.7597      0.00000
      8      10.9902      0.00000
      9      13.7317      0.00000
     10      16.1817      0.00000
     11      16.5617      0.00000
     12      18.4645      0.00000
     13      20.0552      0.00000
     14      21.5765      0.00000
     15      22.2164      0.00000
     16      24.4017      0.00000

 k-point   186 :      -0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3289      2.00000
      2       3.0278      2.00000
      3       4.1815      2.00000
      4       5.2264      2.00000
      5       8.4030      0.00000
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      8      10.8595      0.00000
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     10      14.5856      0.00000
     11      16.4305      0.00000
     12      17.6572      0.00000
     13      18.8573      0.00000
     14      20.8133      0.00000
     15      23.4207      0.00000
     16      25.1179      0.00000

 k-point   187 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.4701      2.00000
      2       3.7748      2.00000
      3       4.6391      2.00000
      4       4.7637      2.00000
      5       7.6461      0.00000
      6      10.2594      0.00000
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      8      10.7676      0.00000
      9      13.0302      0.00000
     10      14.4549      0.00000
     11      16.2417      0.00000
     12      18.3593      0.00000
     13      18.4344      0.00000
     14      19.0086      0.00000
     15      25.1472      0.00000
     16      25.4109      0.00000

 k-point   188 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9337      2.00000
      2       1.9780      2.00000
      3       3.2801      2.00000
      4       5.3875      2.00000
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      8      11.9312      0.00000
      9      12.2225      0.00000
     10      16.0840      0.00000
     11      16.7605      0.00000
     12      17.8081      0.00000
     13      19.7992      0.00000
     14      21.0546      0.00000
     15      22.6595      0.00000
     16      25.0123      0.00000

 k-point   189 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.3156      2.00000
      2       0.7621      2.00000
      3       2.8150      2.00000
      4       4.9728      2.00000
      5       8.8065      0.00000
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     10      16.1699      0.00000
     11      17.9780      0.00000
     12      18.1626      0.00000
     13      20.0496      0.00000
     14      22.0959      0.00000
     15      22.8903      0.00000
     16      24.0913      0.00000

 k-point   190 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.6396      2.00000
      2      -0.3820      2.00000
      3       2.7606      2.00000
      4       4.5863      2.00000
      5       8.4135      0.00000
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     10      14.6496      0.00000
     11      17.5250      0.00000
     12      19.9139      0.00000
     13      21.0484      0.00000
     14      21.3858      0.00000
     15      22.7496      0.00000
     16      24.9761      0.00000

 k-point   191 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3409      2.00000
      2      -0.8182      2.00000
      3       2.9365      2.00000
      4       4.3102      2.00000
      5       8.1440      0.00000
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      8      12.8627      0.00000
      9      15.3577      0.00000
     10      15.7199      0.00000
     11      17.7286      0.00000
     12      19.0357      0.00000
     13      19.9435      0.00000
     14      21.7938      0.00000
     15      24.9728      0.00000
     16      25.2358      0.00000

 k-point   192 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.8143      2.00000
      2      -0.1178      2.00000
      3       3.2884      2.00000
      4       4.1819      2.00000
      5       8.0303      0.00000
      6      10.6020      0.00000
      7      11.1340      0.00000
      8      11.2382      0.00000
      9      16.1053      0.00000
     10      17.0378      0.00000
     11      17.9098      0.00000
     12      17.9865      0.00000
     13      19.0621      0.00000
     14      22.3002      0.00000
     15      23.9654      0.00000
     16      24.1083      0.00000

 k-point   193 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4985      2.00000
      2       1.1385      2.00000
      3       3.7674      2.00000
      4       4.2176      2.00000
      5       7.9675      0.00000
      6      10.0590      0.00000
      7      10.8011      0.00000
      8      11.3992      0.00000
      9      15.6818      0.00000
     10      16.0654      0.00000
     11      16.7414      0.00000
     12      19.5518      0.00000
     13      19.6533      0.00000
     14      21.3715      0.00000
     15      22.2949      0.00000
     16      23.5652      0.00000

 k-point   194 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0765      2.00000
      2       2.5560      2.00000
      3       4.2702      2.00000
      4       4.4178      2.00000
      5       7.6952      0.00000
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      7      10.9688      0.00000
      8      11.3429      0.00000
      9      14.3217      0.00000
     10      14.8073      0.00000
     11      16.9790      0.00000
     12      18.3726      0.00000
     13      19.3369      0.00000
     14      20.5878      0.00000
     15      23.3296      0.00000
     16      23.8743      0.00000

 k-point   195 :       0.0000    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.0730      2.00000
      2       2.6162      2.00000
      3       4.2848      2.00000
      4       4.2960      2.00000
      5       7.7027      0.00000
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      7      11.0399      0.00000
      8      11.2585      0.00000
      9      14.2944      0.00000
     10      14.7661      0.00000
     11      17.0132      0.00000
     12      18.3747      0.00000
     13      19.3132      0.00000
     14      20.6673      0.00000
     15      23.3014      0.00000
     16      23.8148      0.00000

 k-point   196 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2653      2.00000
      2       0.9717      2.00000
      3       2.5808      2.00000
      4       4.5458      2.00000
      5       9.4566      0.00000
      6       9.5453      0.00000
      7      10.8382      0.00000
      8      11.9384      0.00000
      9      13.8168      0.00000
     10      16.4952      0.00000
     11      18.1009      0.00000
     12      18.6348      0.00000
     13      19.6519      0.00000
     14      21.9221      0.00000
     15      22.4563      0.00000
     16      25.1090      0.00000

 k-point   197 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.5870      2.00000
      2      -0.0306      2.00000
      3       2.2194      2.00000
      4       4.1278      2.00000
      5       8.9934      0.00000
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     10      14.8203      0.00000
     11      18.5621      0.00000
     12      20.2091      0.00000
     13      20.8108      0.00000
     14      21.3626      0.00000
     15      23.8057      0.00000
     16      24.1527      0.00000

 k-point   198 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.0694      2.00000
      2      -0.7493      2.00000
      3       2.2557      2.00000
      4       3.8298      2.00000
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     10      16.2915      0.00000
     11      18.3818      0.00000
     12      19.3301      0.00000
     13      22.0439      0.00000
     14      22.2043      0.00000
     15      23.5759      0.00000
     16      24.5470      0.00000

 k-point   199 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.3166      2.00000
      2      -0.4226      2.00000
      3       2.5028      2.00000
      4       3.7381      2.00000
      5       8.4017      0.00000
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      9      15.2602      0.00000
     10      16.9117      0.00000
     11      18.0012      0.00000
     12      19.2524      0.00000
     13      20.2079      0.00000
     14      22.6060      0.00000
     15      23.9606      0.00000
     16      24.7818      0.00000

 k-point   200 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.9903      2.00000
      2       0.6048      2.00000
      3       2.8888      2.00000
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     10      16.9524      0.00000
     11      18.2173      0.00000
     12      18.6829      0.00000
     13      20.4310      0.00000
     14      21.0216      0.00000
     15      22.6080      0.00000
     16      24.4930      0.00000

 k-point   201 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7335      2.00000
      3       3.4481      2.00000
      4       4.1900      2.00000
      5       7.8247      0.00000
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     10      16.2442      0.00000
     11      17.7170      0.00000
     12      18.6679      0.00000
     13      20.0460      0.00000
     14      21.5275      0.00000
     15      21.6190      0.00000
     16      23.8917      0.00000

 k-point   202 :       0.0000    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.4824      2.00000
      2       1.2169      2.00000
      3       3.7203      2.00000
      4       4.0862      2.00000
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     10      16.0054      0.00000
     11      16.7043      0.00000
     12      19.5981      0.00000
     13      19.6939      0.00000
     14      21.3943      0.00000
     15      22.2285      0.00000
     16      23.6410      0.00000

 k-point   203 :       0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.7989      2.00000
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      3       3.5688      2.00000
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     10      16.0937      0.00000
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     12      18.5438      0.00000
     13      20.1318      0.00000
     14      21.5493      0.00000
     15      22.2742      0.00000
     16      24.2974      0.00000

 k-point   204 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6956      2.00000
      2      -0.7635      2.00000
      3       1.9075      2.00000
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     10      16.8884      0.00000
     11      18.9010      0.00000
     12      20.2388      0.00000
     13      21.7089      0.00000
     14      22.7186      0.00000
     15      23.2150      0.00000
     16      24.7480      0.00000

 k-point   205 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3230      2.00000
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      3       2.1812      2.00000
      4       3.3808      2.00000
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     10      15.7256      0.00000
     11      19.7522      0.00000
     12      20.2981      0.00000
     13      20.4486      0.00000
     14      20.8661      0.00000
     15      23.0436      0.00000
     16      24.3472      0.00000

 k-point   206 :      -0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.9759      2.00000
      2       0.6515      2.00000
      3       2.8401      2.00000
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     10      16.9113      0.00000
     11      18.1490      0.00000
     12      18.7215      0.00000
     13      20.3889      0.00000
     14      21.0434      0.00000
     15      22.6667      0.00000
     16      24.4818      0.00000

 k-point   207 :       0.0000    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.7692      2.00000
      2      -0.0705      2.00000
      3       3.2280      2.00000
      4       4.0598      2.00000
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     10      16.9242      0.00000
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     13      19.0609      0.00000
     14      22.5369      0.00000
     15      24.0170      0.00000
     16      24.5824      0.00000

 k-point   208 :       0.0909    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.1121      2.00000
      2       0.3289      2.00000
      3       3.3091      2.00000
      4       4.5180      2.00000
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     10      15.9391      0.00000
     11      17.8441      0.00000
     12      18.1613      0.00000
     13      20.4811      0.00000
     14      21.6210      0.00000
     15      23.2189      0.00000
     16      24.3646      0.00000

 k-point   209 :       0.1818    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2691      2.00000
      2       0.7648      2.00000
      3       2.7987      2.00000
      4       4.9295      2.00000
      5       8.7303      0.00000
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      8      12.5330      0.00000
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     10      16.2590      0.00000
     11      18.1464      0.00000
     12      18.2508      0.00000
     13      20.2056      0.00000
     14      22.3162      0.00000
     15      23.0019      0.00000
     16      24.0547      0.00000

 k-point   210 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2299      2.00000
      2       0.9460      2.00000
      3       2.6003      2.00000
      4       4.5307      2.00000
      5       9.3815      0.00000
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     10      16.6902      0.00000
     11      18.2949      0.00000
     12      18.6473      0.00000
     13      19.7435      0.00000
     14      22.0921      0.00000
     15      22.4620      0.00000
     16      25.0924      0.00000

 k-point   211 :      -0.1818   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6422      2.00000
      2      -0.7875      2.00000
      3       1.8788      2.00000
      4       3.0430      2.00000
      5       9.4083      0.00000
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      8      13.0959      0.00000
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     10      16.8737      0.00000
     11      18.7388      0.00000
     12      20.2497      0.00000
     13      21.8244      0.00000
     14      22.7059      0.00000
     15      23.2749      0.00000
     16      25.1403      0.00000

 k-point   212 :      -0.0909   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4030      2.00000
      3       2.4483      2.00000
      4       3.6681      2.00000
      5       8.2428      0.00000
      6      10.3360      0.00000
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     10      16.8582      0.00000
     11      17.9095      0.00000
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     13      20.0916      0.00000
     14      22.7722      0.00000
     15      24.3816      0.00000
     16      24.9053      0.00000

 k-point   213 :      -0.0000   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.2397      2.00000
      2      -0.8398      2.00000
      3       2.8914      2.00000
      4       4.2035      2.00000
      5       8.0261      0.00000
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      8      13.2495      0.00000
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     10      15.6181      0.00000
     11      17.7032      0.00000
     12      18.9570      0.00000
     13      19.8172      0.00000
     14      22.3486      0.00000
     15      25.1553      0.00000
     16      25.4410      0.00000

 k-point   214 :       0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.4539      2.00000
      2      -0.7102      2.00000
      3       3.2209      2.00000
      4       4.3027      2.00000
      5       8.7047      0.00000
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      7      10.8083      0.00000
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     10      15.9631      0.00000
     11      17.3607      0.00000
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     13      19.7770      0.00000
     14      21.9535      0.00000
     15      24.1515      0.00000
     16      25.9459      0.00000

 k-point   215 :       0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5594      2.00000
      2      -0.4029      2.00000
      3       2.7254      2.00000
      4       4.5258      2.00000
      5       8.3305      0.00000
      6      10.3581      0.00000
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     10      14.8040      0.00000
     11      17.5241      0.00000
     12      20.0428      0.00000
     13      21.0584      0.00000
     14      21.5809      0.00000
     15      22.8504      0.00000
     16      25.2227      0.00000

 k-point   216 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5217      2.00000
      2      -0.0668      2.00000
      3       2.2184      2.00000
      4       4.0857      2.00000
      5       8.9155      0.00000
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      7      11.6296      0.00000
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     10      14.9677      0.00000
     11      18.5014      0.00000
     12      20.3775      0.00000
     13      21.0447      0.00000
     14      21.4633      0.00000
     15      23.7918      0.00000
     16      24.0781      0.00000

 k-point   217 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3217      2.00000
      2      -0.0573      2.00000
      3       2.1788      2.00000
      4       3.3831      2.00000
      5       9.1494      0.00000
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      7      10.4464      0.00000
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     10      15.7370      0.00000
     11      19.7406      0.00000
     12      20.1929      0.00000
     13      20.5152      0.00000
     14      20.8942      0.00000
     15      23.0588      0.00000
     16      24.3562      0.00000

 k-point   218 :      -0.2727   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -2.1935      2.00000
      2      -1.1823      2.00000
      3       2.1176      2.00000
      4       2.5273      2.00000
      5       9.0522      0.00000
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     10      17.2926      0.00000
     11      18.6768      0.00000
     12      20.0861      0.00000
     13      21.8411      0.00000
     14      22.9279      0.00000
     15      23.2096      0.00000
     16      24.4329      0.00000

 k-point   219 :      -0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6064      2.00000
      2      -0.8275      2.00000
      3       1.8852      2.00000
      4       3.0454      2.00000
      5       9.4691      0.00000
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     10      16.7947      0.00000
     11      18.8028      0.00000
     12      20.2454      0.00000
     13      21.8085      0.00000
     14      22.9385      0.00000
     15      23.2797      0.00000
     16      24.9038      0.00000

 k-point   220 :      -0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.9530      2.00000
      2      -0.8053      2.00000
      3       2.2230      2.00000
      4       3.7631      2.00000
      5       8.4660      0.00000
      6      10.0556      0.00000
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     10      16.1241      0.00000
     11      18.3745      0.00000
     12      19.3024      0.00000
     13      21.9676      0.00000
     14      22.6852      0.00000
     15      23.6751      0.00000
     16      24.7184      0.00000

 k-point   221 :      -0.0000   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.5326      2.00000
      2      -0.4255      2.00000
      3       2.7452      2.00000
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     11      17.6006      0.00000
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     13      20.9971      0.00000
     14      21.4161      0.00000
     15      22.7710      0.00000
     16      25.2645      0.00000

 k-point   222 :       0.0909    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.4407      2.00000
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     11      17.3830      0.00000
     12      18.7910      0.00000
     13      20.0624      0.00000
     14      21.6365      0.00000
     15      24.1160      0.00000
     16      25.9591      0.00000

 k-point   223 :       0.1818    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.2435      2.00000
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     10      15.7578      0.00000
     11      17.7173      0.00000
     12      19.0341      0.00000
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     14      21.9941      0.00000
     15      25.2110      0.00000
     16      25.4555      0.00000

 k-point   224 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -2.9760      2.00000
      2      -0.8034      2.00000
      3       2.2476      2.00000
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     10      16.3464      0.00000
     11      18.3711      0.00000
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     13      21.9331      0.00000
     14      22.3180      0.00000
     15      23.6941      0.00000
     16      24.5952      0.00000

 k-point   225 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6481      2.00000
      2      -0.7977      2.00000
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     10      17.0188      0.00000
     11      18.9810      0.00000
     12      20.0912      0.00000
     13      21.6928      0.00000
     14      22.6988      0.00000
     15      23.2758      0.00000
     16      24.9070      0.00000

 k-point   226 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.2503      2.00000
      2      -1.1243      2.00000
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     10      17.3275      0.00000
     11      18.6996      0.00000
     12      20.0751      0.00000
     13      21.8511      0.00000
     14      22.7090      0.00000
     15      23.2453      0.00000
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 k-point   227 :      -0.1818   -0.3636   -0.8182
  band No.  band energies     occupation 
      1      -3.2742      2.00000
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     10      15.6182      0.00000
     11      19.7522      0.00000
     12      20.4586      0.00000
     13      20.4632      0.00000
     14      20.9110      0.00000
     15      23.0611      0.00000
     16      24.4647      0.00000

 k-point   228 :      -0.0909   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.4837      2.00000
      2      -0.0956      2.00000
      3       2.2232      2.00000
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     10      15.1934      0.00000
     11      18.6091      0.00000
     12      20.6769      0.00000
     13      20.8582      0.00000
     14      21.3758      0.00000
     15      23.8623      0.00000
     16      24.2246      0.00000

 k-point   229 :      -0.0000   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2407      2.00000
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      3       2.8401      2.00000
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     10      16.4495      0.00000
     11      18.3216      0.00000
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     13      20.2342      0.00000
     14      22.3793      0.00000
     15      22.9527      0.00000
     16      23.9554      0.00000

 k-point   230 :       0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.0916      2.00000
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      3       3.3553      2.00000
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     14      21.6159      0.00000
     15      23.1850      0.00000
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 k-point   231 :       0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.7572      2.00000
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     14      22.5257      0.00000
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 k-point   232 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.2608      2.00000
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 k-point   233 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.6483      2.00000
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 k-point   234 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.0419      2.00000
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     14      22.9497      0.00000
     15      24.4881      0.00000
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 k-point   235 :      -0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.1940      2.00000
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     14      22.2591      0.00000
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 k-point   236 :      -0.0000   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.8862      2.00000
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 k-point   237 :       0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.7816      2.00000
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     10      16.3017      0.00000
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 k-point   238 :       0.1818   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4716      2.00000
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 k-point   239 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.9711      2.00000
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     16      24.3991      0.00000

 k-point   240 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3220      2.00000
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     10      15.7366      0.00000
     11      19.7423      0.00000
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     14      20.8942      0.00000
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 k-point   241 :      -0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6862      2.00000
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     15      23.2355      0.00000
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 k-point   242 :       0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6860      2.00000
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      3       1.8734      2.00000
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     14      22.7394      0.00000
     15      23.2358      0.00000
     16      24.9814      0.00000

 k-point   243 :       0.0909   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3169      2.00000
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     10      14.6640      0.00000
     11      16.4760      0.00000
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     14      20.9099      0.00000
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     16      25.1229      0.00000

 k-point   244 :       0.1818   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.0670      2.00000
      2       2.5875      2.00000
      3       4.3037      2.00000
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     10      14.7744      0.00000
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     14      20.7079      0.00000
     15      23.4205      0.00000
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 k-point   245 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.6153      2.00000
      2       1.7360      2.00000
      3       3.4461      2.00000
      4       4.1913      2.00000
      5       7.8274      0.00000
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     10      16.2430      0.00000
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     13      20.0475      0.00000
     14      21.4955      0.00000
     15      21.6410      0.00000
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 k-point   246 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.9940      2.00000
      2       0.6364      2.00000
      3       2.8492      2.00000
      4       3.8876      2.00000
      5       8.1762      0.00000
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     10      16.9762      0.00000
     11      18.2253      0.00000
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     13      20.2269      0.00000
     14      20.9932      0.00000
     15      22.5650      0.00000
     16      24.5737      0.00000

 k-point   247 :      -0.5455   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.3175      2.00000
      2      -0.3913      2.00000
      3       2.4585      2.00000
      4       3.7393      2.00000
      5       8.3152      0.00000
      6      10.3664      0.00000
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     10      16.7626      0.00000
     11      17.8283      0.00000
     12      19.2050      0.00000
     13      20.2276      0.00000
     14      22.5795      0.00000
     15      24.3009      0.00000
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 k-point   248 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.0463      2.00000
      2      -0.7505      2.00000
      3       2.2315      2.00000
      4       3.8277      2.00000
      5       8.5452      0.00000
      6      10.0942      0.00000
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     10      16.0573      0.00000
     11      18.3574      0.00000
     12      19.1999      0.00000
     13      22.0961      0.00000
     14      22.5366      0.00000
     15      23.5275      0.00000
     16      24.6910      0.00000

 k-point   249 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5498      2.00000
      2      -0.0574      2.00000
      3       2.2231      2.00000
      4       4.1190      2.00000
      5       8.9272      0.00000
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     10      14.9917      0.00000
     11      18.6686      0.00000
     12      20.4553      0.00000
     13      20.6633      0.00000
     14      21.2677      0.00000
     15      23.8855      0.00000
     16      24.3061      0.00000

 k-point   250 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7466      2.00000
      2       2.1363      2.00000
      3       3.9641      2.00000
      4       3.9643      2.00000
      5       7.0381      0.00000
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     10      15.2633      0.00000
     11      18.1405      0.00000
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     14      20.2655      0.00000
     15      23.2018      0.00000
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 k-point   251 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2322      2.00000
      2       1.1759      2.00000
      3       3.3878      2.00000
      4       3.7346      2.00000
      5       7.1830      0.00000
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     10      16.2748      0.00000
     11      18.3458      0.00000
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     13      20.0154      0.00000
     14      20.9933      0.00000
     15      22.0116      0.00000
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 k-point   252 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5701      2.00000
      2       0.1310      2.00000
      3       2.6484      2.00000
      4       3.6765      2.00000
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     10      17.3949      0.00000
     11      17.7770      0.00000
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     14      21.8824      0.00000
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 k-point   253 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9500      2.00000
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      3       2.0760      2.00000
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     10      15.7571      0.00000
     11      19.2669      0.00000
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     13      20.0914      0.00000
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 k-point   254 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9884      2.00000
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      3       1.7909      2.00000
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     11      19.3799      0.00000
     12      21.2330      0.00000
     13      21.5153      0.00000
     14      22.2279      0.00000
     15      22.9950      0.00000
     16      24.2257      0.00000

 k-point   255 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6211      2.00000
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     10      14.9001      0.00000
     11      19.2487      0.00000
     12      19.9528      0.00000
     13      20.5801      0.00000
     14      22.9922      0.00000
     15      23.3640      0.00000
     16      23.8432      0.00000

 k-point   256 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.6331      2.00000
      2       1.7565      2.00000
      3       3.4242      2.00000
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     10      16.1125      0.00000
     11      17.6488      0.00000
     12      18.7066      0.00000
     13      19.9110      0.00000
     14      21.4295      0.00000
     15      21.4304      0.00000
     16      23.8698      0.00000

 k-point   257 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.0139      2.00000
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      3       2.8554      2.00000
      4       3.8556      2.00000
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     10      16.7714      0.00000
     11      17.9984      0.00000
     12      18.6721      0.00000
     13      20.3660      0.00000
     14      21.0034      0.00000
     15      22.5197      0.00000
     16      24.4516      0.00000

 k-point   258 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.3366      2.00000
      2      -0.3796      2.00000
      3       2.4879      2.00000
      4       3.7002      2.00000
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     10      16.9834      0.00000
     11      17.9831      0.00000
     12      19.2525      0.00000
     13      19.9256      0.00000
     14      22.6305      0.00000
     15      24.2017      0.00000
     16      24.7685      0.00000

 k-point   259 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.0539      2.00000
      2      -0.7566      2.00000
      3       2.2658      2.00000
      4       3.7986      2.00000
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      9      13.3116      0.00000
     10      16.2350      0.00000
     11      18.4524      0.00000
     12      19.3620      0.00000
     13      21.7683      0.00000
     14      22.5100      0.00000
     15      23.4942      0.00000
     16      24.6167      0.00000

 k-point   260 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.5497      2.00000
      2      -0.0724      2.00000
      3       2.2492      2.00000
      4       4.1062      2.00000
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     10      14.9909      0.00000
     11      18.6264      0.00000
     12      20.4736      0.00000
     13      20.8469      0.00000
     14      21.3467      0.00000
     15      23.6440      0.00000
     16      24.0553      0.00000

 k-point   261 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2303      2.00000
      2       0.9447      2.00000
      3       2.6024      2.00000
      4       4.5283      2.00000
      5       9.3725      0.00000
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     10      16.6943      0.00000
     11      18.2963      0.00000
     12      18.6491      0.00000
     13      19.7422      0.00000
     14      22.0910      0.00000
     15      22.4806      0.00000
     16      25.0660      0.00000

 k-point   262 :       0.4545    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.2654      2.00000
      2       0.9716      2.00000
      3       2.5809      2.00000
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     10      16.4954      0.00000
     11      18.1011      0.00000
     12      18.6347      0.00000
     13      19.6515      0.00000
     14      21.9216      0.00000
     15      22.4546      0.00000
     16      25.1099      0.00000

 k-point   263 :       0.5455    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5871      2.00000
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      3       2.2195      2.00000
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     10      14.8194      0.00000
     11      18.5617      0.00000
     12      20.2092      0.00000
     13      20.8095      0.00000
     14      21.3614      0.00000
     15      23.8062      0.00000
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 k-point   264 :       0.6364    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.0695      2.00000
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      4       3.8296      2.00000
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     10      16.2894      0.00000
     11      18.3810      0.00000
     12      19.3282      0.00000
     13      22.0454      0.00000
     14      22.2047      0.00000
     15      23.5751      0.00000
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 k-point   265 :       0.7273    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.3166      2.00000
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     14      22.6040      0.00000
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 k-point   266 :      -0.1818    0.1818    0.2727
  band No.  band energies     occupation 
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     11      18.2192      0.00000
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     15      22.6069      0.00000
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 k-point   267 :      -0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.6156      2.00000
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 k-point   268 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
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     14      20.2499      0.00000
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 k-point   269 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
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      3       1.9353      2.00000
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     15      23.4994      0.00000
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 k-point   270 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.0326      2.00000
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     15      22.7934      0.00000
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 k-point   271 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.9524      2.00000
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 k-point   272 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
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 k-point   273 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.2245      2.00000
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 k-point   274 :       0.0000    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.2199      2.00000
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 k-point   275 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9205      2.00000
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     10      15.0585      0.00000
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     14      22.6646      0.00000
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     16      24.0976      0.00000

 k-point   276 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.5156      2.00000
      2      -0.9739      2.00000
      3       1.7566      2.00000
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     10      16.4081      0.00000
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     15      23.4573      0.00000
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 k-point   277 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4965      2.00000
      3       2.2848      2.00000
      4       3.2249      2.00000
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     10      17.4302      0.00000
     11      18.3594      0.00000
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     14      21.3672      0.00000
     15      23.3550      0.00000
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 k-point   278 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.6437      2.00000
      2       0.3472      2.00000
      3       2.9560      2.00000
      4       3.3675      2.00000
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     11      18.1555      0.00000
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     14      21.0183      0.00000
     15      22.4693      0.00000
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 k-point   279 :       0.0000    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.5343      2.00000
      2       0.1233      2.00000
      3       2.6728      2.00000
      4       3.5954      2.00000
      5       7.3026      0.00000
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     10      17.3691      0.00000
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 k-point   280 :       0.0909    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.9759      2.00000
      2       0.6513      2.00000
      3       2.8397      2.00000
      4       3.8369      2.00000
      5       8.1304      0.00000
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     10      16.9124      0.00000
     11      18.1508      0.00000
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     14      21.0418      0.00000
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 k-point   281 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.1143      2.00000
      2      -1.2309      2.00000
      3       1.8314      2.00000
      4       2.5704      2.00000
      5       9.5207      0.00000
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     10      17.0195      0.00000
     11      19.0617      0.00000
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     15      24.4527      0.00000
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 k-point   282 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2      -1.1208      2.00000
      3       2.1245      2.00000
      4       2.5163      2.00000
      5       8.9972      0.00000
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     10      17.3283      0.00000
     11      18.7037      0.00000
     12      20.0651      0.00000
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     14      22.7199      0.00000
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 k-point   283 :      -0.0909   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.9324      2.00000
      2      -0.4878      2.00000
      3       2.3085      2.00000
      4       3.1320      2.00000
      5       7.7112      0.00000
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     10      17.4170      0.00000
     11      18.2740      0.00000
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     14      21.4600      0.00000
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 k-point   284 :       0.0000   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.8706      2.00000
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     10      15.6867      0.00000
     11      19.3475      0.00000
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     14      23.9556      0.00000
     15      24.0457      0.00000
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 k-point   285 :       0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.2635      2.00000
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      3       2.4480      2.00000
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     10      16.8571      0.00000
     11      17.9074      0.00000
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     14      22.7699      0.00000
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 k-point   286 :       0.1818    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.5230      2.00000
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     11      18.5447      0.00000
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     14      21.4060      0.00000
     15      24.0625      0.00000
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 k-point   287 :      -0.1818   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -1.9685      2.00000
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     11      18.9960      0.00000
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     13      21.9359      0.00000
     14      22.9673      0.00000
     15      24.5446      0.00000
     16      24.5498      0.00000

 k-point   288 :      -0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.3992      2.00000
      2      -1.0430      2.00000
      3       1.7587      2.00000
      4       3.2522      2.00000
      5       7.9285      0.00000
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      9      14.2321      0.00000
     10      16.2692      0.00000
     11      19.3608      0.00000
     12      20.5747      0.00000
     13      21.9256      0.00000
     14      22.3941      0.00000
     15      23.5715      0.00000
     16      24.6298      0.00000

 k-point   289 :       0.0000   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.8995      2.00000
      2      -0.6845      2.00000
      3       1.7824      2.00000
      4       4.0091      2.00000
      5       7.7385      0.00000
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     10      13.9772      0.00000
     11      19.3185      0.00000
     12      21.3825      0.00000
     13      21.5531      0.00000
     14      22.3259      0.00000
     15      23.1398      0.00000
     16      24.1545      0.00000

 k-point   290 :       0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9531      2.00000
      2      -0.8054      2.00000
      3       2.2229      2.00000
      4       3.7629      2.00000
      5       8.4666      0.00000
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     10      16.1220      0.00000
     11      18.3737      0.00000
     12      19.3005      0.00000
     13      21.9696      0.00000
     14      22.6851      0.00000
     15      23.6743      0.00000
     16      24.7162      0.00000

 k-point   291 :       0.1818    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9694      2.00000
      2      -0.7970      2.00000
      3       2.2136      2.00000
      4       3.7928      2.00000
      5       8.5165      0.00000
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      8      12.9000      0.00000
      9      13.5901      0.00000
     10      16.1750      0.00000
     11      18.3023      0.00000
     12      19.2685      0.00000
     13      22.2814      0.00000
     14      22.3461      0.00000
     15      23.7536      0.00000
     16      24.6385      0.00000

 k-point   292 :       0.2727    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9453      2.00000
      2      -0.6587      2.00000
      3       1.7781      2.00000
      4       4.0593      2.00000
      5       7.7936      0.00000
      6      11.8227      0.00000
      7      11.9360      0.00000
      8      12.8732      0.00000
      9      13.9219      0.00000
     10      14.1576      0.00000
     11      19.1808      0.00000
     12      21.3929      0.00000
     13      21.7252      0.00000
     14      22.3414      0.00000
     15      22.8851      0.00000
     16      24.0547      0.00000

 k-point   293 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.8539      2.00000
      2      -0.5992      2.00000
      3       1.6497      2.00000
      4       3.6322      2.00000
      5       8.4023      0.00000
      6      11.1776      0.00000
      7      11.9480      0.00000
      8      12.8419      0.00000
      9      13.7701      0.00000
     10      14.9795      0.00000
     11      20.3469      0.00000
     12      20.7505      0.00000
     13      21.0355      0.00000
     14      22.8702      0.00000
     15      22.9676      0.00000
     16      24.0336      0.00000

 k-point   294 :      -0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.7858      2.00000
      2      -0.6485      2.00000
      3       1.6519      2.00000
      4       3.5933      2.00000
      5       8.3219      0.00000
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      7      11.8779      0.00000
      8      12.9899      0.00000
      9      13.7959      0.00000
     10      14.8617      0.00000
     11      20.4315      0.00000
     12      20.8546      0.00000
     13      20.9358      0.00000
     14      22.9400      0.00000
     15      23.1363      0.00000
     16      23.9765      0.00000

 k-point   295 :       0.0000   -0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5676      2.00000
      2       0.1001      2.00000
      3       1.9565      2.00000
      4       4.4345      2.00000
      5       8.2140      0.00000
      6      11.2553      0.00000
      7      11.6174      0.00000
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      9      12.6906      0.00000
     10      15.1343      0.00000
     11      19.3058      0.00000
     12      19.9823      0.00000
     13      20.8204      0.00000
     14      23.0277      0.00000
     15      23.3017      0.00000
     16      24.0140      0.00000

 k-point   296 :       0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.4838      2.00000
      2      -0.0957      2.00000
      3       2.2232      2.00000
      4       4.0757      2.00000
      5       8.8534      0.00000
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      7      11.6043      0.00000
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      9      14.5515      0.00000
     10      15.1937      0.00000
     11      18.6087      0.00000
     12      20.6770      0.00000
     13      20.8567      0.00000
     14      21.3748      0.00000
     15      23.8639      0.00000
     16      24.2232      0.00000

 k-point   297 :       0.1818    0.7273    0.2727
  band No.  band energies     occupation 
      1      -3.2413      2.00000
      2      -0.4481      2.00000
      3       2.4640      2.00000
      4       3.7058      2.00000
      5       8.2853      0.00000
      6      10.2770      0.00000
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     10      16.7826      0.00000
     11      17.9261      0.00000
     12      19.2292      0.00000
     13      20.3815      0.00000
     14      22.7389      0.00000
     15      24.1364      0.00000
     16      24.9203      0.00000

 k-point   298 :       0.2727    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.8703      2.00000
      2      -0.7631      2.00000
      3       2.0847      2.00000
      4       3.7745      2.00000
      5       7.4892      0.00000
      6      10.8026      0.00000
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      9      15.7073      0.00000
     10      15.9161      0.00000
     11      19.2298      0.00000
     12      19.4104      0.00000
     13      20.2504      0.00000
     14      23.8193      0.00000
     15      24.0078      0.00000
     16      24.4642      0.00000

 k-point   299 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.4308      2.00000
      2      -1.0369      2.00000
      3       1.7705      2.00000
      4       3.2844      2.00000
      5       8.0208      0.00000
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      9      14.1426      0.00000
     10      16.4956      0.00000
     11      19.5575      0.00000
     12      20.3650      0.00000
     13      21.7587      0.00000
     14      22.3633      0.00000
     15      23.6685      0.00000
     16      24.6311      0.00000

 k-point   300 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.0419      2.00000
      2      -1.2945      2.00000
      3       1.8335      2.00000
      4       2.5547      2.00000
      5       9.4054      0.00000
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     10      16.9760      0.00000
     11      19.0134      0.00000
     12      20.2512      0.00000
     13      21.8860      0.00000
     14      22.9501      0.00000
     15      24.4869      0.00000
     16      24.5705      0.00000

 k-point   301 :       0.0909   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.1941      2.00000
      2       0.9188      2.00000
      3       2.6215      2.00000
      4       4.5142      2.00000
      5       9.3295      0.00000
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     10      16.8870      0.00000
     11      18.4977      0.00000
     12      18.6672      0.00000
     13      19.8331      0.00000
     14      22.2587      0.00000
     15      22.4946      0.00000
     16      25.1103      0.00000

 k-point   302 :       0.1818   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.9509      2.00000
      2       0.5994      2.00000
      3       2.8731      2.00000
      4       3.8730      2.00000
      5       8.1489      0.00000
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     10      17.0755      0.00000
     11      18.3799      0.00000
     12      18.7456      0.00000
     13      20.4417      0.00000
     14      21.0554      0.00000
     15      22.7560      0.00000
     16      24.5087      0.00000

 k-point   303 :       0.2727   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5204      2.00000
      2       0.0755      2.00000
      3       2.6866      2.00000
      4       3.6582      2.00000
      5       7.3539      0.00000
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     10      17.4322      0.00000
     11      17.9944      0.00000
     12      18.3399      0.00000
     13      19.9016      0.00000
     14      21.9685      0.00000
     15      23.0120      0.00000
     16      24.6275      0.00000

 k-point   304 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.9288      2.00000
      2      -0.5115      2.00000
      3       2.3207      2.00000
      4       3.1557      2.00000
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     10      17.5523      0.00000
     11      18.4780      0.00000
     12      20.1115      0.00000
     13      20.6199      0.00000
     14      21.4062      0.00000
     15      23.3591      0.00000
     16      24.0430      0.00000

 k-point   305 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.2507      2.00000
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     10      17.3276      0.00000
     11      18.7006      0.00000
     12      20.0760      0.00000
     13      21.8509      0.00000
     14      22.7072      0.00000
     15      23.2437      0.00000
     16      24.5260      0.00000

 k-point   306 :       0.1818   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.5974      2.00000
      2       1.7145      2.00000
      3       3.4712      2.00000
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     10      16.3925      0.00000
     11      17.7693      0.00000
     12      18.6311      0.00000
     13      20.1733      0.00000
     14      21.6314      0.00000
     15      21.8074      0.00000
     16      23.9213      0.00000

 k-point   307 :       0.2727   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2111      2.00000
      2       1.1447      2.00000
      3       3.4386      2.00000
      4       3.7226      2.00000
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     10      16.4047      0.00000
     11      18.3045      0.00000
     12      19.6327      0.00000
     13      20.0521      0.00000
     14      21.0643      0.00000
     15      22.1731      0.00000
     16      23.1736      0.00000

 k-point   308 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6428      2.00000
      2       0.3480      2.00000
      3       2.9597      2.00000
      4       3.3637      2.00000
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     10      17.4916      0.00000
     11      18.1521      0.00000
     12      19.4603      0.00000
     13      20.3584      0.00000
     14      21.0491      0.00000
     15      22.4788      0.00000
     16      23.1290      0.00000

 k-point   309 :      -0.5455   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9589      2.00000
      2      -0.4742      2.00000
      3       2.2734      2.00000
      4       3.2012      2.00000
      5       7.7891      0.00000
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     10      17.2964      0.00000
     11      18.1460      0.00000
     12      20.2477      0.00000
     13      20.9084      0.00000
     14      21.4236      0.00000
     15      23.3635      0.00000
     16      23.8825      0.00000

 k-point   310 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.4819      2.00000
      2      -0.9812      2.00000
      3       1.7450      2.00000
      4       3.3141      2.00000
      5       8.0154      0.00000
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      7      11.8591      0.00000
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     10      16.1819      0.00000
     11      19.1929      0.00000
     12      20.6889      0.00000
     13      22.1188      0.00000
     14      22.3713      0.00000
     15      23.3595      0.00000
     16      24.5180      0.00000

 k-point   311 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7556      2.00000
      2       0.4877      2.00000
      3       3.4481      2.00000
      4       3.4484      2.00000
      5       6.6660      0.00000
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     10      16.8414      0.00000
     11      19.3764      0.00000
     12      19.3955      0.00000
     13      19.8190      0.00000
     14      21.6604      0.00000
     15      21.9121      0.00000
     16      22.9439      0.00000

 k-point   312 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1327      2.00000
      2      -0.3253      2.00000
      3       2.8786      2.00000
      4       3.3446      2.00000
      5       6.8748      0.00000
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     10      17.7080      0.00000
     11      17.8972      0.00000
     12      18.3319      0.00000
     13      20.9490      0.00000
     14      21.3893      0.00000
     15      22.0596      0.00000
     16      24.0627      0.00000

 k-point   313 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4543      2.00000
      2      -1.0441      2.00000
      3       2.0781      2.00000
      4       3.4202      2.00000
      5       7.0427      0.00000
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     10      15.9732      0.00000
     11      19.4112      0.00000
     12      20.0581      0.00000
     13      21.6224      0.00000
     14      21.7448      0.00000
     15      22.3806      0.00000
     16      24.2452      0.00000

 k-point   314 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3528      2.00000
      2      -1.1145      2.00000
      3       1.5855      2.00000
      4       3.6676      2.00000
      5       7.3265      0.00000
      6      10.6748      0.00000
      7      13.3291      0.00000
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      9      14.2845      0.00000
     10      14.3721      0.00000
     11      21.0776      0.00000
     12      21.3119      0.00000
     13      21.7210      0.00000
     14      21.9579      0.00000
     15      22.1573      0.00000
     16      23.8140      0.00000

 k-point   315 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6667      2.00000
      2       0.3812      2.00000
      3       2.9525      2.00000
      4       3.3392      2.00000
      5       7.4808      0.00000
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      7      12.6471      0.00000
      8      13.9889      0.00000
      9      16.4053      0.00000
     10      17.3015      0.00000
     11      17.9803      0.00000
     12      19.4941      0.00000
     13      20.3873      0.00000
     14      21.0662      0.00000
     15      22.3988      0.00000
     16      23.2017      0.00000

 k-point   316 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9838      2.00000
      2      -0.4476      2.00000
      3       2.2923      2.00000
      4       3.1657      2.00000
      5       7.8210      0.00000
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      7      12.3036      0.00000
      8      14.3573      0.00000
      9      15.3072      0.00000
     10      17.4906      0.00000
     11      18.3201      0.00000
     12      20.0001      0.00000
     13      20.8198      0.00000
     14      21.4000      0.00000
     15      23.4193      0.00000
     16      23.9499      0.00000

 k-point   317 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4969      2.00000
      2      -0.9706      2.00000
      3       1.7614      2.00000
      4       3.2951      2.00000
      5       8.0321      0.00000
      6      10.7509      0.00000
      7      12.0070      0.00000
      8      13.3113      0.00000
      9      14.2790      0.00000
     10      16.3414      0.00000
     11      19.4529      0.00000
     12      20.5910      0.00000
     13      21.7972      0.00000
     14      22.2360      0.00000
     15      23.4387      0.00000
     16      24.6919      0.00000

 k-point   318 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.8549      2.00000
      2      -0.5987      2.00000
      3       1.6502      2.00000
      4       3.6307      2.00000
      5       8.4040      0.00000
      6      11.1541      0.00000
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      8      12.8456      0.00000
      9      13.7852      0.00000
     10      14.9576      0.00000
     11      20.3691      0.00000
     12      20.8302      0.00000
     13      20.9524      0.00000
     14      22.8829      0.00000
     15      22.9143      0.00000
     16      24.0318      0.00000

 k-point   319 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.3689      2.00000
      2      -0.0121      2.00000
      3       2.1744      2.00000
      4       3.3791      2.00000
      5       9.1867      0.00000
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      9      14.9297      0.00000
     10      15.8275      0.00000
     11      19.7509      0.00000
     12      20.1095      0.00000
     13      20.4452      0.00000
     14      20.8376      0.00000
     15      23.0111      0.00000
     16      24.2294      0.00000

 k-point   320 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.7275      2.00000
      2      -0.7273      2.00000
      3       1.9001      2.00000
      4       3.0555      2.00000
      5       9.5339      0.00000
      6      10.0126      0.00000
      7      11.2573      0.00000
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     10      16.9664      0.00000
     11      18.8320      0.00000
     12      20.2400      0.00000
     13      21.7219      0.00000
     14      22.4899      0.00000
     15      23.2199      0.00000
     16      24.9742      0.00000

 k-point   321 :       0.7273    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6956      2.00000
      2      -0.7638      2.00000
      3       1.9071      2.00000
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      9      14.3402      0.00000
     10      16.8868      0.00000
     11      18.8984      0.00000
     12      20.2369      0.00000
     13      21.7062      0.00000
     14      22.7204      0.00000
     15      23.2138      0.00000
     16      24.7477      0.00000

 k-point   322 :      -0.1818    0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.3229      2.00000
      2      -0.0578      2.00000
      3       2.1808      2.00000
      4       3.3810      2.00000
      5       9.1311      0.00000
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      9      15.1513      0.00000
     10      15.7243      0.00000
     11      19.7498      0.00000
     12      20.2988      0.00000
     13      20.4466      0.00000
     14      20.8649      0.00000
     15      23.0412      0.00000
     16      24.3478      0.00000

 k-point   323 :       0.6364    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9206      2.00000
      2      -0.5528      2.00000
      3       1.6481      2.00000
      4       3.6695      2.00000
      5       8.4855      0.00000
      6      11.2137      0.00000
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      8      12.6758      0.00000
      9      13.7985      0.00000
     10      15.0564      0.00000
     11      20.3335      0.00000
     12      20.8666      0.00000
     13      20.8765      0.00000
     14      22.6647      0.00000
     15      22.9099      0.00000
     16      24.0999      0.00000

 k-point   324 :       0.7273    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.5157      2.00000
      2      -0.9740      2.00000
      3       1.7566      2.00000
      4       3.3452      2.00000
      5       8.1097      0.00000
      6      10.5903      0.00000
      7      11.8807      0.00000
      8      13.5361      0.00000
      9      14.2902      0.00000
     10      16.4056      0.00000
     11      19.3903      0.00000
     12      20.4847      0.00000
     13      21.9370      0.00000
     14      22.3477      0.00000
     15      23.4567      0.00000
     16      24.5339      0.00000

 k-point   325 :       0.8182    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4966      2.00000
      3       2.2847      2.00000
      4       3.2248      2.00000
      5       7.8862      0.00000
      6       9.0238      0.00000
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      8      14.3645      0.00000
      9      15.5161      0.00000
     10      17.4282      0.00000
     11      18.3567      0.00000
     12      20.2204      0.00000
     13      20.7221      0.00000
     14      21.3647      0.00000
     15      23.3562      0.00000
     16      23.9547      0.00000

 k-point   326 :      -0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.6437      2.00000
      2       0.3472      2.00000
      3       2.9557      2.00000
      4       3.3676      2.00000
      5       7.4466      0.00000
      6       8.3101      0.00000
      7      12.5335      0.00000
      8      13.9653      0.00000
      9      16.3367      0.00000
     10      17.4974      0.00000
     11      18.1577      0.00000
     12      19.4728      0.00000
     13      20.3924      0.00000
     14      21.0167      0.00000
     15      22.4692      0.00000
     16      23.1209      0.00000

 k-point   327 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.7565      2.00000
      2       0.4869      2.00000
      3       3.3697      2.00000
      4       3.5273      2.00000
      5       6.6607      0.00000
      6       7.6841      0.00000
      7      14.0020      0.00000
      8      14.0069      0.00000
      9      16.3977      0.00000
     10      16.8303      0.00000
     11      19.3742      0.00000
     12      19.4259      0.00000
     13      19.8186      0.00000
     14      21.6590      0.00000
     15      21.9268      0.00000
     16      22.8632      0.00000

 k-point   328 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4290      2.00000
      2      -1.0648      2.00000
      3       1.5784      2.00000
      4       3.7352      2.00000
      5       7.4011      0.00000
      6      10.5156      0.00000
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      8      13.9094      0.00000
      9      14.3486      0.00000
     10      14.4018      0.00000
     11      21.0777      0.00000
     12      21.3191      0.00000
     13      21.8442      0.00000
     14      21.8506      0.00000
     15      22.0685      0.00000
     16      23.7004      0.00000

 k-point   329 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4576      2.00000
      2      -1.0641      2.00000
      3       2.0612      2.00000
      4       3.4921      2.00000
      5       7.1188      0.00000
      6       8.7920      0.00000
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      8      14.2684      0.00000
      9      15.9581      0.00000
     10      16.0561      0.00000
     11      19.4860      0.00000
     12      20.1621      0.00000
     13      21.4635      0.00000
     14      21.5766      0.00000
     15      22.2774      0.00000
     16      24.3404      0.00000

 k-point   330 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.1245      2.00000
      2      -0.3467      2.00000
      3       2.8374      2.00000
      4       3.4204      2.00000
      5       6.9189      0.00000
      6       7.6379      0.00000
      7      14.3211      0.00000
      8      14.3752      0.00000
      9      17.5915      0.00000
     10      17.8343      0.00000
     11      17.9468      0.00000
     12      18.4251      0.00000
     13      20.8722      0.00000
     14      21.2916      0.00000
     15      21.9191      0.00000
     16      24.1723      0.00000

 k-point   331 :       0.0000    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.1167      2.00000
      2      -0.3404      2.00000
      3       2.9511      2.00000
      4       3.2628      2.00000
      5       6.8160      0.00000
      6       7.7834      0.00000
      7      14.3156      0.00000
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      9      17.5875      0.00000
     10      17.8221      0.00000
     11      17.9753      0.00000
     12      18.3328      0.00000
     13      20.9337      0.00000
     14      21.3198      0.00000
     15      21.9955      0.00000
     16      23.9985      0.00000

 k-point   332 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.9955      2.00000
      2      -1.4823      2.00000
      3       2.0497      2.00000
      4       3.0187      2.00000
      5       7.7601      0.00000
      6       8.8041      0.00000
      7      13.6174      0.00000
      8      13.8915      0.00000
      9      15.9463      0.00000
     10      16.6174      0.00000
     11      19.2950      0.00000
     12      20.0220      0.00000
     13      21.8565      0.00000
     14      22.4863      0.00000
     15      22.9301      0.00000
     16      23.3417      0.00000

 k-point   333 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.4492      2.00000
      2      -1.0818      2.00000
      3       2.7414      2.00000
      4       2.9117      2.00000
      5       7.3419      0.00000
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      7      14.0864      0.00000
      8      15.6008      0.00000
      9      16.0410      0.00000
     10      17.5974      0.00000
     11      18.3068      0.00000
     12      19.8395      0.00000
     13      20.1286      0.00000
     14      21.6988      0.00000
     15      22.8296      0.00000
     16      24.3153      0.00000

 k-point   334 :       0.0000   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.3982      2.00000
      2      -1.0863      2.00000
      3       2.1137      2.00000
      4       3.3419      2.00000
      5       6.9614      0.00000
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     10      15.9589      0.00000
     11      19.5002      0.00000
     12      20.0616      0.00000
     13      21.6155      0.00000
     14      21.6273      0.00000
     15      22.4019      0.00000
     16      24.4624      0.00000

 k-point   335 :       0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.9324      2.00000
      2      -0.4880      2.00000
      3       2.3083      2.00000
      4       3.1319      2.00000
      5       7.7115      0.00000
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     10      17.4151      0.00000
     11      18.2713      0.00000
     12      20.1599      0.00000
     13      20.8073      0.00000
     14      21.4575      0.00000
     15      23.3570      0.00000
     16      23.9591      0.00000

 k-point   336 :      -0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.8489      2.00000
      2      -1.6051      2.00000
      3       2.1048      2.00000
      4       2.9079      2.00000
      5       7.5614      0.00000
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      9      15.9228      0.00000
     10      16.5180      0.00000
     11      19.2509      0.00000
     12      20.1213      0.00000
     13      21.8139      0.00000
     14      22.6251      0.00000
     15      23.0281      0.00000
     16      23.3898      0.00000

 k-point   337 :      -0.0000   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.2733      2.00000
      2      -1.1688      2.00000
      3       1.5926      2.00000
      4       3.5998      2.00000
      5       7.2530      0.00000
      6      10.8317      0.00000
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      9      14.1519      0.00000
     10      14.3167      0.00000
     11      21.1340      0.00000
     12      21.3438      0.00000
     13      21.7938      0.00000
     14      21.9402      0.00000
     15      22.0886      0.00000
     16      23.9237      0.00000

 k-point   338 :       0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -1.0431      2.00000
      3       1.7586      2.00000
      4       3.2519      2.00000
      5       7.9291      0.00000
      6      10.8688      0.00000
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     10      16.2667      0.00000
     11      19.3588      0.00000
     12      20.5738      0.00000
     13      21.9251      0.00000
     14      22.3946      0.00000
     15      23.5708      0.00000
     16      24.6316      0.00000

 k-point   339 :       0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.6422      2.00000
      2      -0.7879      2.00000
      3       1.8785      2.00000
      4       3.0431      2.00000
      5       9.4091      0.00000
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     10      16.8722      0.00000
     11      18.7362      0.00000
     12      20.2479      0.00000
     13      21.8221      0.00000
     14      22.7075      0.00000
     15      23.2735      0.00000
     16      25.1401      0.00000

 k-point   340 :       0.0909   -0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.7859      2.00000
      2      -0.6486      2.00000
      3       1.6520      2.00000
      4       3.5930      2.00000
      5       8.3226      0.00000
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     10      14.8596      0.00000
     11      20.4313      0.00000
     12      20.8524      0.00000
     13      20.9349      0.00000
     14      22.9384      0.00000
     15      23.1366      0.00000
     16      23.9787      0.00000

 k-point   341 :       0.1818    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.6067      2.00000
      2      -0.8277      2.00000
      3       1.8852      2.00000
      4       3.0453      2.00000
      5       9.4706      0.00000
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     10      16.7926      0.00000
     11      18.8013      0.00000
     12      20.2439      0.00000
     13      21.8070      0.00000
     14      22.9386      0.00000
     15      23.2785      0.00000
     16      24.9056      0.00000

 k-point   342 :       0.2727    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.4172      2.00000
      2      -1.0461      2.00000
      3       1.7540      2.00000
      4       3.3016      2.00000
      5       8.0065      0.00000
      6      10.7160      0.00000
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     10      16.3281      0.00000
     11      19.2923      0.00000
     12      20.4696      0.00000
     13      22.0422      0.00000
     14      22.5189      0.00000
     15      23.5923      0.00000
     16      24.4621      0.00000

 k-point   343 :       0.1818   -0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.2745      2.00000
      2      -0.1043      2.00000
      3       2.1859      2.00000
      4       3.3842      2.00000
      5       9.1186      0.00000
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      7      10.3315      0.00000
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      9      15.3769      0.00000
     10      15.6165      0.00000
     11      19.7515      0.00000
     12      20.4573      0.00000
     13      20.4625      0.00000
     14      20.9102      0.00000
     15      23.0595      0.00000
     16      24.4643      0.00000

 k-point   344 :       0.2727    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.9036      2.00000
      2      -0.5385      2.00000
      3       2.3012      2.00000
      4       3.1903      2.00000
      5       7.7788      0.00000
      6       9.1151      0.00000
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      8      14.3191      0.00000
      9      15.6984      0.00000
     10      17.3475      0.00000
     11      18.3037      0.00000
     12      20.3704      0.00000
     13      20.7325      0.00000
     14      21.4135      0.00000
     15      23.2745      0.00000
     16      23.9444      0.00000

 k-point   345 :       0.3636    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.3956      2.00000
      2      -1.1104      2.00000
      3       2.0968      2.00000
      4       3.4141      2.00000
      5       7.0369      0.00000
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     10      16.1608      0.00000
     11      19.5268      0.00000
     12      20.2015      0.00000
     13      21.3764      0.00000
     14      21.5344      0.00000
     15      22.3016      0.00000
     16      24.5597      0.00000

 k-point   346 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.9228      2.00000
      2      -1.5425      2.00000
      3       2.0775      2.00000
      4       2.9637      2.00000
      5       7.6602      0.00000
      6       8.9376      0.00000
      7      13.6178      0.00000
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      9      15.9019      0.00000
     10      16.5914      0.00000
     11      19.2457      0.00000
     12      20.1054      0.00000
     13      21.8384      0.00000
     14      22.5473      0.00000
     15      22.9257      0.00000
     16      23.4078      0.00000

 k-point   347 :       0.2727   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6188      2.00000
      2       0.3146      2.00000
      3       2.9706      2.00000
      4       3.3837      2.00000
      5       7.4327      0.00000
      6       8.2614      0.00000
      7      12.4174      0.00000
      8      13.9339      0.00000
      9      16.2657      0.00000
     10      17.6860      0.00000
     11      18.3427      0.00000
     12      19.4477      0.00000
     13      20.3982      0.00000
     14      20.9615      0.00000
     15      22.5220      0.00000
     16      23.0457      0.00000

 k-point   348 :       0.3636   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.1054      2.00000
      2      -0.3623      2.00000
      3       2.9099      2.00000
      4       3.3386      2.00000
      5       6.8699      0.00000
      6       7.6862      0.00000
      7      14.2241      0.00000
      8      14.3274      0.00000
      9      17.6004      0.00000
     10      17.8984      0.00000
     11      18.0729      0.00000
     12      18.4551      0.00000
     13      20.8191      0.00000
     14      21.2362      0.00000
     15      21.8641      0.00000
     16      24.1087      0.00000

 k-point   349 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4460      2.00000
      2      -1.0841      2.00000
      3       2.7643      2.00000
      4       2.8892      2.00000
      5       7.3765      0.00000
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      7      14.0834      0.00000
      8      15.5894      0.00000
      9      16.0362      0.00000
     10      17.5859      0.00000
     11      18.3097      0.00000
     12      19.8641      0.00000
     13      20.1204      0.00000
     14      21.6945      0.00000
     15      22.8141      0.00000
     16      24.3320      0.00000

 k-point   350 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5230      2.00000
      2      -1.0893      2.00000
      3       3.1846      2.00000
      4       3.1848      2.00000
      5       6.6146      0.00000
      6       6.9383      0.00000
      7      15.7359      0.00000
      8      15.7430      0.00000
      9      17.7367      0.00000
     10      17.7407      0.00000
     11      17.8574      0.00000
     12      18.6624      0.00000
     13      19.6091      0.00000
     14      19.9774      0.00000
     15      24.0128      0.00000
     16      24.9480      0.00000

 k-point   351 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.8623      2.00000
      2      -1.7463      2.00000
      3       2.7241      2.00000
      4       3.2108      2.00000
      5       6.7952      0.00000
      6       7.3974      0.00000
      7      15.6527      0.00000
      8      15.9918      0.00000
      9      16.3399      0.00000
     10      16.4707      0.00000
     11      19.2933      0.00000
     12      19.4287      0.00000
     13      19.8068      0.00000
     14      20.3286      0.00000
     15      24.0783      0.00000
     16      24.5202      0.00000

 k-point   352 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4756      2.00000
      2      -1.0498      2.00000
      3       2.7705      2.00000
      4       2.8700      2.00000
      5       7.3795      0.00000
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      7      14.2442      0.00000
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      9      16.0137      0.00000
     10      17.5971      0.00000
     11      18.3068      0.00000
     12      19.8403      0.00000
     13      19.9432      0.00000
     14      21.8779      0.00000
     15      22.9709      0.00000
     16      24.3616      0.00000

 k-point   353 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -1.9276      2.00000
      2      -1.5375      2.00000
      3       2.0770      2.00000
      4       2.9632      2.00000
      5       7.6609      0.00000
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      9      15.9299      0.00000
     10      16.5635      0.00000
     11      19.2665      0.00000
     12      20.0665      0.00000
     13      21.7859      0.00000
     14      22.5987      0.00000
     15      22.9647      0.00000
     16      23.3967      0.00000

 k-point   354 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.3068      2.00000
      2      -1.0667      2.00000
      3       2.1324      2.00000
      4       2.5028      2.00000
      5       9.0643      0.00000
      6       9.2828      0.00000
      7      11.8994      0.00000
      8      13.1704      0.00000
      9      15.8689      0.00000
     10      17.3566      0.00000
     11      18.7314      0.00000
     12      20.0301      0.00000
     13      21.8512      0.00000
     14      22.5455      0.00000
     15      23.2479      0.00000
     16      24.5667      0.00000

 k-point   355 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.0473      2.00000
      2      -1.2891      2.00000
      3       1.8332      2.00000
      4       2.5535      2.00000
      5       9.4071      0.00000
      6      10.6756      0.00000
      7      11.3945      0.00000
      8      11.6742      0.00000
      9      15.8655      0.00000
     10      16.9644      0.00000
     11      19.0215      0.00000
     12      20.2291      0.00000
     13      21.8994      0.00000
     14      22.9485      0.00000
     15      24.4127      0.00000
     16      24.6092      0.00000

 k-point   356 :       0.7273    0.2727    0.4545
  band No.  band energies     occupation 
      1      -2.1145      2.00000
      2      -1.2311      2.00000
      3       1.8314      2.00000
      4       2.5702      2.00000
      5       9.5216      0.00000
      6      10.5912      0.00000
      7      11.4780      0.00000
      8      11.5578      0.00000
      9      15.8910      0.00000
     10      17.0171      0.00000
     11      19.0596      0.00000
     12      20.1712      0.00000
     13      21.8638      0.00000
     14      22.9269      0.00000
     15      24.4543      0.00000
     16      24.5400      0.00000

 k-point   357 :      -0.1818    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2      -1.1210      2.00000
      3       2.1242      2.00000
      4       2.5162      2.00000
      5       8.9978      0.00000
      6       9.3193      0.00000
      7      11.7490      0.00000
      8      13.3614      0.00000
      9      15.8407      0.00000
     10      17.3262      0.00000
     11      18.7011      0.00000
     12      20.0623      0.00000
     13      21.8535      0.00000
     14      22.7221      0.00000
     15      23.2351      0.00000
     16      24.5187      0.00000

 k-point   358 :       0.8182    0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.9956      2.00000
      2      -1.4823      2.00000
      3       2.0496      2.00000
      4       3.0185      2.00000
      5       7.7605      0.00000
      6       8.8044      0.00000
      7      13.6198      0.00000
      8      13.8940      0.00000
      9      15.9439      0.00000
     10      16.6147      0.00000
     11      19.2923      0.00000
     12      20.0193      0.00000
     13      21.8589      0.00000
     14      22.4891      0.00000
     15      22.9300      0.00000
     16      23.3409      0.00000

 k-point   359 :      -0.0909    0.3636   -0.5455
  band No.  band energies     occupation 
      1      -2.4492      2.00000
      2      -1.0818      2.00000
      3       2.7413      2.00000
      4       2.9116      2.00000
      5       7.3421      0.00000
      6       7.6786      0.00000
      7      14.0890      0.00000
      8      15.6007      0.00000
      9      16.0413      0.00000
     10      17.5948      0.00000
     11      18.3043      0.00000
     12      19.8368      0.00000
     13      20.1308      0.00000
     14      21.7017      0.00000
     15      22.8291      0.00000
     16      24.3140      0.00000

 k-point   360 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.5260      2.00000
      2      -1.0874      2.00000
      3       3.1033      2.00000
      4       3.2660      2.00000
      5       6.5938      0.00000
      6       6.9598      0.00000
      7      15.7273      0.00000
      8      15.7731      0.00000
      9      17.7333      0.00000
     10      17.7768      0.00000
     11      17.8445      0.00000
     12      18.6452      0.00000
     13      19.6022      0.00000
     14      19.9758      0.00000
     15      24.0478      0.00000
     16      25.0124      0.00000

 k-point   361 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.9263      2.00000
      2      -1.6881      2.00000
      3       2.6628      2.00000
      4       3.2906      2.00000
      5       6.8808      0.00000
      6       7.2921      0.00000
      7      15.6763      0.00000
      8      16.0490      0.00000
      9      16.3395      0.00000
     10      16.4521      0.00000
     11      19.3132      0.00000
     12      19.4238      0.00000
     13      19.8691      0.00000
     14      20.2153      0.00000
     15      24.0487      0.00000
     16      24.4468      0.00000

 k-point   362 :       0.0000   -0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.8104      2.00000
      2      -1.7943      2.00000
      3       2.7855      2.00000
      4       3.1305      2.00000
      5       6.7103      0.00000
      6       7.5032      0.00000
      7      15.7079      0.00000
      8      15.9350      0.00000
      9      16.3426      0.00000
     10      16.4409      0.00000
     11      19.3628      0.00000
     12      19.4223      0.00000
     13      19.6950      0.00000
     14      20.4072      0.00000
     15      24.2395      0.00000
     16      24.4748      0.00000

 k-point   363 :       0.0909   -0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.8490      2.00000
      2      -1.6051      2.00000
      3       2.1047      2.00000
      4       2.9077      2.00000
      5       7.5618      0.00000
      6       9.0715      0.00000
      7      13.6257      0.00000
      8      13.8190      0.00000
      9      15.9203      0.00000
     10      16.5153      0.00000
     11      19.2483      0.00000
     12      20.1187      0.00000
     13      21.8165      0.00000
     14      22.6277      0.00000
     15      23.0278      0.00000
     16      23.3890      0.00000

 k-point   364 :       0.1818   -0.2727    0.4545
  band No.  band energies     occupation 
      1      -1.9687      2.00000
      2      -1.3592      2.00000
      3       1.8350      2.00000
      4       2.5373      2.00000
      5       9.2911      0.00000
      6      10.7576      0.00000
      7      11.4719      0.00000
      8      11.6340      0.00000
      9      15.8417      0.00000
     10      16.9109      0.00000
     11      18.9939      0.00000
     12      20.2816      0.00000
     13      21.9350      0.00000
     14      22.9655      0.00000
     15      24.5467      0.00000
     16      24.5490      0.00000

 k-point   365 :       0.2727   -0.1818   -0.5455
  band No.  band energies     occupation 
      1      -2.1939      2.00000
      2      -1.1827      2.00000
      3       2.1178      2.00000
      4       2.5274      2.00000
      5       9.0539      0.00000
      6       9.2349      0.00000
      7      11.5969      0.00000
      8      13.5497      0.00000
      9      15.8112      0.00000
     10      17.2906      0.00000
     11      18.6752      0.00000
     12      20.0844      0.00000
     13      21.8397      0.00000
     14      22.9284      0.00000
     15      23.2078      0.00000
     16      24.4326      0.00000

 k-point   366 :       0.3636   -0.0909   -0.5455
  band No.  band energies     occupation 
      1      -2.4161      2.00000
      2      -1.1182      2.00000
      3       2.7592      2.00000
      4       2.9059      2.00000
      5       7.3747      0.00000
      6       7.6242      0.00000
      7      13.9310      0.00000
      8      15.6941      0.00000
      9      16.1147      0.00000
     10      17.5836      0.00000
     11      18.2963      0.00000
     12      19.8530      0.00000
     13      20.3034      0.00000
     14      21.5157      0.00000
     15      22.6990      0.00000
     16      24.2548      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001  -0.000   0.001  -0.000   0.000   0.000   0.000
 -0.001   0.006   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   4.176  -0.000  -0.000  -0.005   0.000   0.000
  0.001   0.000  -0.000   4.176  -0.000   0.000  -0.005   0.000
 -0.000   0.000  -0.000  -0.000   4.176   0.000   0.000  -0.005
  0.000  -0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
  0.000  -0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
  0.000  -0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.820   0.000  -0.005  -0.000   0.000   0.012   0.000
 -0.820   0.830   0.000   0.012   0.000   0.000  -0.016  -0.000
  0.000   0.000   1.046   0.000  -0.011  -0.589  -0.000   0.006
 -0.005   0.012   0.000   1.046   0.000  -0.000  -0.589  -0.000
 -0.000   0.000  -0.011   0.000   1.047   0.006  -0.000  -0.589
  0.000   0.000  -0.589  -0.000   0.006   0.391   0.000  -0.004
  0.012  -0.016  -0.000  -0.589  -0.000   0.000   0.391   0.000
  0.000  -0.000   0.006  -0.000  -0.589  -0.004   0.000   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0560: real time    0.0558
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0240: real time    0.0239
    STRESS:  cpu time    0.3759: real time    0.3758
    FORCOR:  cpu time    0.0040: real time    0.0040
    FORHAR:  cpu time    0.0000: real time    0.0007
    MIXING:  cpu time    0.0010: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.73294   -76.78369   -76.76086    -1.29535    -0.00000     0.00000
  Hartree     4.89330     4.88194     4.88191    -0.31190     0.00000     0.00000
  E(xc)     -25.50576   -25.50538   -25.50571     0.01185    -0.00000    -0.00000
  Local     -28.97168   -28.90933   -28.92866     1.59143     0.00001     0.00001
  n-local    78.31749    78.30870    78.31481    -0.23149     0.07846     1.39720
  augment   -11.66407   -11.66326   -11.66334     0.02702    -0.00001    -0.00001
  Kinetic    57.26594    57.26360    57.25777    -0.20360     0.06314     1.74034
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.04310     1.03341     1.03674    -0.41203     0.00000     0.00000
  in kB      42.70563    42.30884    42.44539   -16.86908     0.00000     0.00000
  external pressure =       42.49 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.735100200  0.000000000     0.182767527  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.188334051  0.185550789  0.185550789
     2.694680000  0.040420200  2.694680000     0.188334051 -0.185550789  0.185550789

  length of vectors
     3.839540781  3.810853002  3.811067357     0.319784552  0.322998305  0.322998305


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.192E-06 0.220E-06 -.156E+01   0.957E-14 -.596E-14 0.120E+01   0.209E-16 0.101E-15 0.532E+00   -.906E-07 -.924E-07 0.343E-03
   -.192E-06 -.220E-06 0.156E+01   -.955E-14 0.656E-14 -.120E+01   -.241E-16 -.385E-16 -.532E+00   0.906E-07 0.924E-07 -.343E-03
 -----------------------------------------------------------------------------------------------
   0.232E-14 0.237E-13 -.198E-13   0.202E-16 0.606E-15 0.000E+00   -.324E-17 0.629E-16 0.111E-15   0.701E-15 -.736E-15 0.932E-17
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.164716
      1.34734      1.36755      1.34734        -0.000000     -0.000000     -0.164716
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82180377 eV

  energy  without entropy=      -10.82180377  energy(sigma->0) =      -10.82180377
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.1714374E-01-0.171E-01
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.1180882E+01 0.118E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0057


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   4/  7
  Displacement:        1/  2
  Total:               7/ 14
  LATTYP: Found a base centered monoclinic cell.
 ALAT       =    12.1233350729
 B/A-ratio  =     0.4445443409
 C/A-ratio  =     0.7060500948
 COS(beta)  =    -0.9047851330
  
  Lattice vectors:
  
 A1 = (   2.6946800000,  -5.4297802000,   2.6946800000)
 A2 = (   2.6946800000,  -5.4297802000,  -2.6946800000)
 A3 = (  -2.6946800000,   8.1244602000,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  2 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    3    -1.000000     0.000001     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
    4    -1.000000   180.000000     0.000000     0.000000    -1.000000     0.250000    -0.750000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    366 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000  0.000000      4.000000
  0.181818 -0.000000  0.000000      4.000000
  0.272727  0.000000  0.000000      4.000000
  0.363636 -0.000000  0.000000      4.000000
  0.454545  0.000000  0.000000      4.000000
 -0.000000  0.090909 -0.000000      4.000000
  0.090909  0.090909 -0.000000      2.000000
  0.181818  0.090909 -0.000000      4.000000
  0.272727  0.090909  0.000000      4.000000
  0.363636  0.090909 -0.000000      4.000000
  0.454545  0.090909  0.000000      4.000000
 -0.454545  0.090909  0.000000      4.000000
 -0.363636  0.090909  0.000000      4.000000
 -0.272727  0.090909  0.000000      4.000000
 -0.181818  0.090909  0.000000      4.000000
 -0.090909  0.090909  0.000000      4.000000
 -0.000000  0.181818 -0.000000      4.000000
  0.090909  0.181818  0.000000      4.000000
  0.181818  0.181818 -0.000000      2.000000
  0.272727  0.181818 -0.000000      4.000000
  0.363636  0.181818 -0.000000      4.000000
  0.454545  0.181818 -0.000000      4.000000
 -0.454545  0.181818  0.000000      4.000000
 -0.363636  0.181818  0.000000      4.000000
 -0.272727  0.181818 -0.000000      4.000000
 -0.181818  0.181818  0.000000      4.000000
 -0.090909  0.181818 -0.000000      4.000000
  0.000000  0.272727  0.000000      4.000000
  0.090909  0.272727 -0.000000      4.000000
  0.181818  0.272727 -0.000000      4.000000
  0.272727  0.272727 -0.000000      2.000000
  0.363636  0.272727 -0.000000      4.000000
  0.454545  0.272727 -0.000000      4.000000
 -0.454545  0.272727  0.000000      4.000000
 -0.363636  0.272727 -0.000000      4.000000
 -0.272727  0.272727 -0.000000      4.000000
 -0.181818  0.272727  0.000000      4.000000
 -0.090909  0.272727 -0.000000      4.000000
 -0.000000  0.363636 -0.000000      4.000000
  0.090909  0.363636  0.000000      4.000000
  0.181818  0.363636  0.000000      4.000000
  0.272727  0.363636 -0.000000      4.000000
  0.363636  0.363636 -0.000000      2.000000
  0.454545  0.363636 -0.000000      4.000000
 -0.454545  0.363636 -0.000000      4.000000
 -0.363636  0.363636  0.000000      4.000000
 -0.272727  0.363636 -0.000000      4.000000
 -0.181818  0.363636 -0.000000      4.000000
 -0.090909  0.363636 -0.000000      4.000000
  0.000000  0.454545  0.000000      4.000000
  0.090909  0.454545  0.000000      4.000000
  0.181818  0.454545  0.000000      4.000000
  0.272727  0.454545  0.000000      4.000000
  0.363636  0.454545 -0.000000      4.000000
  0.454545  0.454545 -0.000000      2.000000
 -0.454545  0.454545  0.000000      4.000000
 -0.363636  0.454545  0.000000      4.000000
 -0.272727  0.454545  0.000000      4.000000
 -0.181818  0.454545  0.000000      4.000000
 -0.090909  0.454545 -0.000000      4.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818 -0.000000  0.090909      4.000000
  0.272727  0.000000  0.090909      4.000000
  0.363636  0.000000  0.090909      4.000000
  0.454545 -0.000000  0.090909      4.000000
 -0.454545 -0.000000  0.090909      4.000000
 -0.363636  0.000000  0.090909      4.000000
 -0.272727  0.000000  0.090909      4.000000
 -0.181818  0.000000  0.090909      4.000000
 -0.090909  0.000000  0.090909      4.000000
  0.000000  0.090909  0.090909      2.000000
  0.181818  0.090909  0.090909      2.000000
  0.272727  0.090909  0.090909      4.000000
  0.363636  0.090909  0.090909      4.000000
  0.454545  0.090909  0.090909      4.000000
 -0.454545  0.090909  0.090909      4.000000
 -0.363636  0.090909  0.090909      4.000000
 -0.272727  0.090909  0.090909      4.000000
 -0.181818  0.090909  0.090909      4.000000
 -0.090909  0.090909  0.090909      4.000000
 -0.000000  0.181818  0.090909      4.000000
  0.272727  0.181818  0.090909      2.000000
  0.363636  0.181818  0.090909      4.000000
  0.454545  0.181818  0.090909      4.000000
 -0.454545  0.181818  0.090909      4.000000
 -0.363636  0.181818  0.090909      4.000000
 -0.272727  0.181818  0.090909      4.000000
 -0.181818  0.181818  0.090909      4.000000
 -0.090909  0.181818  0.090909      4.000000
  0.000000  0.272727  0.090909      4.000000
  0.090909  0.272727  0.090909      4.000000
  0.181818  0.272727  0.090909      4.000000
  0.363636  0.272727  0.090909      2.000000
  0.454545  0.272727  0.090909      4.000000
 -0.454545  0.272727  0.090909      4.000000
 -0.363636  0.272727  0.090909      4.000000
 -0.272727  0.272727  0.090909      4.000000
 -0.181818  0.272727  0.090909      4.000000
 -0.090909  0.272727  0.090909      4.000000
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    WAVPRE:  cpu time    0.1550: real time    0.1591
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0580: real time    0.0589
    ORTHCH:  cpu time    0.3300: real time    0.3299
     LOOP+:  cpu time    8.3597: real time    8.3753


--------------------------------------- Iteration      9(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0070: real time    0.0083
    SETDIJ:  cpu time    0.0010: real time    0.0016
    EDDIAG:  cpu time    0.6019: real time    0.6018
  RMM-DIIS:  cpu time    0.4109: real time    0.4114
    ORTHCH:  cpu time    0.3170: real time    0.3170
       DOS:  cpu time    0.0040: real time    0.0032
    CHARGE:  cpu time    0.0540: real time    0.0548
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3968: real time    1.3983

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) :-0.1457710E-01  (-0.9689281E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596348 magnetization 

 Broyden mixing:
  rms(total) = 0.44345E-01    rms(broyden)= 0.44344E-01
  rms(prec ) = 0.17405E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.64927250
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85702878
  PAW double counting   =        75.11513286      -40.17408764
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.43415628
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83638144 eV

  energy without entropy =      -10.83638144  energy(sigma->0) =      -10.83638144


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.6029: real time    0.6049
  RMM-DIIS:  cpu time    0.4379: real time    0.4381
    ORTHCH:  cpu time    0.3170: real time    0.3171
       DOS:  cpu time    0.0030: real time    0.0031
    CHARGE:  cpu time    0.0550: real time    0.0551
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4218: real time    1.4240

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1103841E-01  (-0.1953188E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596114 magnetization 

 Broyden mixing:
  rms(total) = 0.22572E-01    rms(broyden)= 0.22572E-01
  rms(prec ) = 0.88506E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9899
  1.9899

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.64968414
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85711617
  PAW double counting   =        75.11789501      -40.17694272
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.44578665
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82534303 eV

  energy without entropy =      -10.82534303  energy(sigma->0) =      -10.82534303


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0048
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.5959: real time    0.5966
  RMM-DIIS:  cpu time    0.4369: real time    0.4371
    ORTHCH:  cpu time    0.3170: real time    0.3169
       DOS:  cpu time    0.0030: real time    0.0030
    CHARGE:  cpu time    0.0550: real time    0.0547
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4138: real time    1.4147

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.3518926E-02  (-0.2998285E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595827 magnetization 

 Broyden mixing:
  rms(total) = 0.35289E-02    rms(broyden)= 0.35285E-02
  rms(prec ) = 0.12356E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3460
  2.1216  2.5704

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65794120
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85659725
  PAW double counting   =        75.12050010      -40.17964155
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45713745
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82182411 eV

  energy without entropy =      -10.82182411  energy(sigma->0) =      -10.82182411


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0045
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5959: real time    0.5962
  RMM-DIIS:  cpu time    0.4379: real time    0.4379
    ORTHCH:  cpu time    0.3170: real time    0.3173
       DOS:  cpu time    0.0030: real time    0.0031
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4158: real time    1.4154

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1816305E-04  (-0.7386428E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595865 magnetization 

 Broyden mixing:
  rms(total) = 0.78077E-03    rms(broyden)= 0.78069E-03
  rms(prec ) = 0.28172E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8209
  0.9845  1.9485  2.5295

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65701571
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85666673
  PAW double counting   =        75.11633000      -40.17532800
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45615614
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180594 eV

  energy without entropy =      -10.82180594  energy(sigma->0) =      -10.82180594


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5989: real time    0.5983
  RMM-DIIS:  cpu time    0.4379: real time    0.4380
    ORTHCH:  cpu time    0.3170: real time    0.3172
       DOS:  cpu time    0.0030: real time    0.0034
    CHARGE:  cpu time    0.0560: real time    0.0556
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4178: real time    1.4184

 eigenvalue-minimisations  : 11687
 total energy-change (2. order) : 0.2726273E-05  (-0.6530416E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595852 magnetization 

 Broyden mixing:
  rms(total) = 0.32517E-03    rms(broyden)= 0.32513E-03
  rms(prec ) = 0.81129E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2380
  3.5563  1.0062  2.5059  1.8835

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65750857
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85662771
  PAW double counting   =        75.11697771      -40.17599785
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45663486
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180322 eV

  energy without entropy =      -10.82180322  energy(sigma->0) =      -10.82180322


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0048
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5979: real time    0.5981
  RMM-DIIS:  cpu time    0.4379: real time    0.4377
    ORTHCH:  cpu time    0.3170: real time    0.3171
       DOS:  cpu time    0.0030: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    1.3618: real time    1.3620

 eigenvalue-minimisations  : 10478
 total energy-change (2. order) :-0.8012703E-06  (-0.1161324E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595852 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65770635
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660669
  PAW double counting   =        75.11724129      -40.17627042
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45681980
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180402 eV

  energy without entropy =      -10.82180402  energy(sigma->0) =      -10.82180402


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9890       2 -82.9890
 
 
 
 E-fermi :   6.1186     XC(G=0):  -9.4993     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0570      2.00000
      2       6.0424      2.00000
      3       6.0594      2.00000
      4       6.0812      2.00000
      5       8.5217      0.00000
      6       8.6149      0.00000
      7       8.7550      0.00000
      8       9.7235      0.00000
      9      13.8045      0.00000
     10      13.8068      0.00000
     11      14.1155      0.00000
     12      17.3680      0.00000
     13      17.3941      0.00000
     14      17.4251      0.00000
     15      21.6174      0.00000
     16      29.4026      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9451      2.00000
      2       5.1072      2.00000
      3       5.8642      2.00000
      4       5.8875      2.00000
      5       8.6697      0.00000
      6       8.7843      0.00000
      7       8.9577      0.00000
      8      10.4911      0.00000
      9      13.4630      0.00000
     10      13.4807      0.00000
     11      14.5928      0.00000
     12      17.0339      0.00000
     13      18.0700      0.00000
     14      18.0872      0.00000
     15      22.3517      0.00000
     16      28.5302      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6134      2.00000
      2       3.4122      2.00000
      3       5.5090      2.00000
      4       5.5264      2.00000
      5       8.3793      0.00000
      6       9.2827      0.00000
      7       9.4343      0.00000
      8      12.0326      0.00000
      9      13.0677      0.00000
     10      13.1232      0.00000
     11      15.3038      0.00000
     12      16.9750      0.00000
     13      19.6204      0.00000
     14      19.6331      0.00000
     15      23.9188      0.00000
     16      25.9493      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0776      2.00000
      2       1.7139      2.00000
      3       5.1780      2.00000
      4       5.1860      2.00000
      5       8.0295      0.00000
      6       9.5298      0.00000
      7       9.6696      0.00000
      8      13.3505      0.00000
      9      13.3926      0.00000
     10      13.5875      0.00000
     11      15.0535      0.00000
     12      18.6881      0.00000
     13      21.2392      0.00000
     14      21.2413      0.00000
     15      23.6943      0.00000
     16      23.8909      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.3872      2.00000
      2       0.2113      2.00000
      3       4.9429      2.00000
      4       4.9442      2.00000
      5       7.7652      0.00000
      6       9.4452      0.00000
      7       9.5784      0.00000
      8      13.9721      0.00000
      9      14.4403      0.00000
     10      14.5697      0.00000
     11      15.7940      0.00000
     12      20.2158      0.00000
     13      20.3153      0.00000
     14      20.5700      0.00000
     15      23.0074      0.00000
     16      24.6036      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.7372      2.00000
      2      -0.8530      2.00000
      3       4.8194      2.00000
      4       4.8258      2.00000
      5       7.6279      0.00000
      6       9.3200      0.00000
      7       9.4529      0.00000
      8      13.8010      0.00000
      9      16.0122      0.00000
     10      16.1557      0.00000
     11      17.2514      0.00000
     12      18.1628      0.00000
     13      18.3444      0.00000
     14      19.8531      0.00000
     15      24.7498      0.00000
     16      26.9218      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2771      2.00000
      3       5.5504      2.00000
      4       5.5534      2.00000
      5       8.3038      0.00000
      6       9.3067      0.00000
      7       9.3330      0.00000
      8      10.4209      0.00000
      9      12.9278      0.00000
     10      13.9650      0.00000
     11      14.7320      0.00000
     12      17.6493      0.00000
     13      17.6502      0.00000
     14      18.0186      0.00000
     15      22.6432      0.00000
     16      27.8730      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6494      2.00000
      2       3.9129      2.00000
      3       5.1332      2.00000
      4       5.3534      2.00000
      5       8.3253      0.00000
      6       9.3395      0.00000
      7       9.9438      0.00000
      8      11.1935      0.00000
      9      12.8065      0.00000
     10      13.9011      0.00000
     11      15.5784      0.00000
     12      17.2534      0.00000
     13      18.5478      0.00000
     14      19.4801      0.00000
     15      24.0226      0.00000
     16      25.8961      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1784      2.00000
      2       2.2578      2.00000
      3       4.7997      2.00000
      4       4.9699      2.00000
      5       8.4819      0.00000
      6       9.3084      0.00000
      7      10.2955      0.00000
      8      11.4015      0.00000
      9      13.9942      0.00000
     10      14.1680      0.00000
     11      15.6766      0.00000
     12      18.1810      0.00000
     13      20.0852      0.00000
     14      21.3307      0.00000
     15      23.4590      0.00000
     16      24.1395      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5295      2.00000
      2       0.7061      2.00000
      3       4.5685      2.00000
      4       4.6064      2.00000
      5       8.3354      0.00000
      6       9.3243      0.00000
      7      10.1967      0.00000
      8      12.1629      0.00000
      9      14.9475      0.00000
     10      15.0900      0.00000
     11      15.9424      0.00000
     12      19.9012      0.00000
     13      20.0878      0.00000
     14      21.5367      0.00000
     15      23.2000      0.00000
     16      23.6559      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.8223      2.00000
      2      -0.5344      2.00000
      3       4.2530      2.00000
      4       4.5631      2.00000
      5       8.1974      0.00000
      6       9.2701      0.00000
      7       9.9346      0.00000
      8      13.4367      0.00000
      9      14.8424      0.00000
     10      16.5200      0.00000
     11      17.4921      0.00000
     12      18.0906      0.00000
     13      19.0291      0.00000
     14      21.2339      0.00000
     15      23.9075      0.00000
     16      25.3694      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9551      2.00000
      3       4.0589      2.00000
      4       4.6679      2.00000
      5       8.1782      0.00000
      6       9.3258      0.00000
      7       9.7416      0.00000
      8      14.1504      0.00000
      9      15.4618      0.00000
     10      15.8631      0.00000
     11      17.2679      0.00000
     12      18.5984      0.00000
     13      18.9435      0.00000
     14      20.1102      0.00000
     15      25.3612      0.00000
     16      26.5466      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0559      2.00000
      2      -0.1595      2.00000
      3       4.0101      2.00000
      4       4.9035      2.00000
      5       8.2891      0.00000
      6       9.5290      0.00000
      7       9.6777      0.00000
      8      13.9145      0.00000
      9      14.1765      0.00000
     10      15.3245      0.00000
     11      17.4203      0.00000
     12      18.1363      0.00000
     13      20.6552      0.00000
     14      21.1455      0.00000
     15      23.1214      0.00000
     16      24.5656      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2188      2.00000
      3       4.1249      2.00000
      4       5.2407      2.00000
      5       8.5160      0.00000
      6       9.6246      0.00000
      7       9.7918      0.00000
      8      12.8312      0.00000
      9      12.9948      0.00000
     10      15.4433      0.00000
     11      15.7683      0.00000
     12      19.1368      0.00000
     13      20.4209      0.00000
     14      22.2355      0.00000
     15      22.3245      0.00000
     16      24.1400      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3633      2.00000
      2       2.8089      2.00000
      3       4.4268      2.00000
      4       5.6230      2.00000
      5       8.8162      0.00000
      6       9.3633      0.00000
      7       9.7203      0.00000
      8      12.0645      0.00000
      9      12.4342      0.00000
     10      14.3378      0.00000
     11      15.8443      0.00000
     12      17.5426      0.00000
     13      19.3530      0.00000
     14      21.1688      0.00000
     15      23.4138      0.00000
     16      24.7654      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7637      2.00000
      2       4.2685      2.00000
      3       5.0420      2.00000
      4       5.9169      2.00000
      5       8.8744      0.00000
      6       9.1193      0.00000
      7       9.1620      0.00000
      8      11.2658      0.00000
      9      12.7791      0.00000
     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2280      0.00000
     13      17.9568      0.00000
     14      19.4165      0.00000
     15      23.3440      0.00000
     16      25.9122      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4699      2.00000
      2       3.7788      2.00000
      3       4.6996      2.00000
      4       4.7000      2.00000
      5       7.6458      0.00000
      6      10.2411      0.00000
      7      10.7075      0.00000
      8      10.7233      0.00000
      9      13.0396      0.00000
     10      14.4515      0.00000
     11      16.2405      0.00000
     12      18.3908      0.00000
     13      18.3960      0.00000
     14      19.0157      0.00000
     15      25.1535      0.00000
     16      25.3541      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0669      2.00000
      2       2.5877      2.00000
      3       4.3035      2.00000
      4       4.3421      2.00000
      5       7.6764      0.00000
      6       9.7450      0.00000
      7      10.9374      0.00000
      8      11.3055      0.00000
      9      14.3631      0.00000
     10      14.7733      0.00000
     11      16.9751      0.00000
     12      18.3935      0.00000
     13      19.3725      0.00000
     14      20.7077      0.00000
     15      23.4219      0.00000
     16      23.9570      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4715      2.00000
      2       1.1731      2.00000
      3       3.7579      2.00000
      4       4.1354      2.00000
      5       7.9178      0.00000
      6      10.0901      0.00000
      7      10.7241      0.00000
      8      11.3542      0.00000
      9      15.6085      0.00000
     10      16.1099      0.00000
     11      16.6803      0.00000
     12      19.6849      0.00000
     13      19.7934      0.00000
     14      21.4656      0.00000
     15      22.3565      0.00000
     16      23.7037      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.7570      2.00000
      2      -0.1099      2.00000
      3       3.2566      2.00000
      4       4.1010      2.00000
      5       7.9525      0.00000
      6      10.5018      0.00000
      7      11.0659      0.00000
      8      11.3313      0.00000
      9      16.0389      0.00000
     10      16.9909      0.00000
     11      17.8812      0.00000
     12      18.0814      0.00000
     13      19.1708      0.00000
     14      22.5258      0.00000
     15      24.0722      0.00000
     16      24.2559      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.2434      2.00000
      2      -0.8524      2.00000
      3       2.8978      2.00000
      4       4.2363      2.00000
      5       8.0578      0.00000
      6      10.3723      0.00000
      7      10.7623      0.00000
      8      13.0003      0.00000
      9      15.2891      0.00000
     10      15.7580      0.00000
     11      17.7185      0.00000
     12      19.0356      0.00000
     13      19.9837      0.00000
     14      21.9921      0.00000
     15      25.2144      0.00000
     16      25.4550      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.5595      2.00000
      2      -0.4027      2.00000
      3       2.7262      2.00000
      4       4.5248      2.00000
      5       8.3294      0.00000
      6      10.3588      0.00000
      7      10.5496      0.00000
      8      13.8683      0.00000
      9      14.0735      0.00000
     10      14.8028      0.00000
     11      17.5255      0.00000
     12      20.0411      0.00000
     13      21.0603      0.00000
     14      21.5819      0.00000
     15      22.8527      0.00000
     16      25.2226      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2693      2.00000
      2       0.7650      2.00000
      3       2.7994      2.00000
      4       4.9286      2.00000
      5       8.7292      0.00000
      6      10.3136      0.00000
      7      10.4377      0.00000
      8      12.5338      0.00000
      9      12.6686      0.00000
     10      16.2593      0.00000
     11      18.1451      0.00000
     12      18.2513      0.00000
     13      20.2065      0.00000
     14      22.3172      0.00000
     15      23.0030      0.00000
     16      24.0566      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9103      2.00000
      2       1.9679      2.00000
      3       3.3142      2.00000
      4       5.3644      2.00000
      5       9.1021      0.00000
      6       9.8489      0.00000
      7      10.1555      0.00000
      8      11.8497      0.00000
      9      12.1332      0.00000
     10      16.2356      0.00000
     11      16.8572      0.00000
     12      17.8264      0.00000
     13      19.9591      0.00000
     14      21.2730      0.00000
     15      22.7702      0.00000
     16      24.9497      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7464      2.00000
      2       2.1371      2.00000
      3       3.9632      2.00000
      4       3.9636      2.00000
      5       7.0373      0.00000
      6       8.8421      0.00000
      7      12.3013      0.00000
      8      12.3036      0.00000
      9      14.8590      0.00000
     10      15.2620      0.00000
     11      18.1421      0.00000
     12      19.4308      0.00000
     13      19.4435      0.00000
     14      20.2656      0.00000
     15      23.2105      0.00000
     16      23.2516      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2108      2.00000
      2       1.1452      2.00000
      3       3.4382      2.00000
      4       3.7218      2.00000
      5       7.1570      0.00000
      6       8.5180      0.00000
      7      12.5372      0.00000
      8      12.7555      0.00000
      9      16.0198      0.00000
     10      16.4050      0.00000
     11      18.3056      0.00000
     12      19.6329      0.00000
     13      20.0528      0.00000
     14      21.0650      0.00000
     15      22.1731      0.00000
     16      23.1743      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5201      2.00000
      2       0.0757      2.00000
      3       2.6867      2.00000
      4       3.6573      2.00000
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     14      21.9695      0.00000
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 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     15      24.0090      0.00000
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 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     14      22.3423      0.00000
     15      22.8842      0.00000
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 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     14      22.9940      0.00000
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 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
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     11      19.3756      0.00000
     12      19.3968      0.00000
     13      19.8209      0.00000
     14      21.6602      0.00000
     15      21.9138      0.00000
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     11      18.0723      0.00000
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     13      20.8200      0.00000
     14      21.2366      0.00000
     15      21.8652      0.00000
     16      24.1173      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     10      16.1598      0.00000
     11      19.5275      0.00000
     12      20.2018      0.00000
     13      21.3778      0.00000
     14      21.5351      0.00000
     15      22.3024      0.00000
     16      24.5623      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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     10      14.3714      0.00000
     11      21.0796      0.00000
     12      21.3131      0.00000
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     14      21.9599      0.00000
     15      22.1579      0.00000
     16      23.8145      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     11      17.8570      0.00000
     12      18.6630      0.00000
     13      19.6089      0.00000
     14      19.9783      0.00000
     15      24.0158      0.00000
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 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     11      19.2927      0.00000
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     14      20.3290      0.00000
     15      24.0808      0.00000
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 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
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 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
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 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6185      2.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9033      2.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4171      2.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8550      2.00000
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     14      22.8813      0.00000
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 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4156      2.00000
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 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9273      2.00000
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 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.2743      2.00000
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 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6065      2.00000
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 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
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 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
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 k-point    57 :      -0.0000    0.0909   -0.0000
  band No.  band energies     occupation 
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 k-point    58 :      -0.0000    0.1818   -0.0000
  band No.  band energies     occupation 
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 k-point    59 :       0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
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 k-point    60 :      -0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
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     10      14.4201      0.00000
     11      15.8773      0.00000
     12      17.4638      0.00000
     13      19.2456      0.00000
     14      21.1268      0.00000
     15      23.4475      0.00000
     16      24.6800      0.00000

 k-point    61 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.1061      2.00000
      2       1.6538      2.00000
      3       5.2372      2.00000
      4       5.2488      2.00000
      5       8.1520      0.00000
      6       9.5501      0.00000
      7       9.6919      0.00000
      8      13.3569      0.00000
      9      13.5052      0.00000
     10      13.5610      0.00000
     11      15.0995      0.00000
     12      18.4355      0.00000
     13      21.0869      0.00000
     14      21.0973      0.00000
     15      23.5525      0.00000
     16      23.7624      0.00000

 k-point    62 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.2028      2.00000
      2       2.2158      2.00000
      3       4.8386      2.00000
      4       4.9732      2.00000
      5       8.5359      0.00000
      6       9.5269      0.00000
      7      10.2582      0.00000
      8      11.4970      0.00000
      9      13.9362      0.00000
     10      14.1706      0.00000
     11      15.7369      0.00000
     12      17.9740      0.00000
     13      19.9512      0.00000
     14      21.1830      0.00000
     15      23.1919      0.00000
     16      23.9293      0.00000

 k-point    63 :       0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -5.0818      2.00000
      2       2.5890      2.00000
      3       4.2620      2.00000
      4       4.3589      2.00000
      5       7.7221      0.00000
      6       9.8363      0.00000
      7      11.0707      0.00000
      8      11.2907      0.00000
      9      14.2551      0.00000
     10      14.8068      0.00000
     11      17.0086      0.00000
     12      18.3586      0.00000
     13      19.2746      0.00000
     14      20.5487      0.00000
     15      23.1446      0.00000
     16      23.7840      0.00000

 k-point    64 :      -0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -4.2881      2.00000
      2       0.7304      2.00000
      3       2.8568      2.00000
      4       4.9504      2.00000
      5       8.7637      0.00000
      6      10.3228      0.00000
      7      10.5221      0.00000
      8      12.4612      0.00000
      9      12.6113      0.00000
     10      16.3738      0.00000
     11      18.1610      0.00000
     12      18.3201      0.00000
     13      20.0850      0.00000
     14      22.1586      0.00000
     15      22.8291      0.00000
     16      23.9764      0.00000

 k-point    65 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7963      2.00000
      2       1.1611      2.00000
      3       4.2170      2.00000
      4       5.2888      2.00000
      5       8.6099      0.00000
      6       9.5978      0.00000
      7       9.8481      0.00000
      8      12.7868      0.00000
      9      12.9457      0.00000
     10      15.5359      0.00000
     11      15.9189      0.00000
     12      18.9600      0.00000
     13      20.2898      0.00000
     14      22.1432      0.00000
     15      22.1825      0.00000
     16      23.9700      0.00000

 k-point    66 :      -0.0000    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4420      2.00000
      2       0.1830      2.00000
      3       5.0114      2.00000
      4       5.0140      2.00000
      5       7.9017      0.00000
      6       9.4822      0.00000
      7       9.6165      0.00000
      8      14.0423      0.00000
      9      14.4566      0.00000
     10      14.5951      0.00000
     11      15.7871      0.00000
     12      20.0095      0.00000
     13      20.2439      0.00000
     14      20.2671      0.00000
     15      22.9139      0.00000
     16      24.4794      0.00000

 k-point    67 :       0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5776      2.00000
      2       0.6860      2.00000
      3       4.5937      2.00000
      4       4.6586      2.00000
      5       8.4280      0.00000
      6       9.4887      0.00000
      7      10.1802      0.00000
      8      12.3088      0.00000
      9      14.9792      0.00000
     10      15.1134      0.00000
     11      15.8627      0.00000
     12      19.5860      0.00000
     13      19.8313      0.00000
     14      21.3592      0.00000
     15      23.0442      0.00000
     16      23.6388      0.00000

 k-point    68 :       0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5084      2.00000
      2       1.1825      2.00000
      3       3.7337      2.00000
      4       4.1654      2.00000
      5       7.9557      0.00000
      6      10.2163      0.00000
      7      10.9080      0.00000
      8      11.3613      0.00000
      9      15.6092      0.00000
     10      16.0214      0.00000
     11      16.7644      0.00000
     12      19.4433      0.00000
     13      19.5613      0.00000
     14      21.2949      0.00000
     15      22.1823      0.00000
     16      23.5079      0.00000

 k-point    69 :       0.2727    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.2319      2.00000
      2       1.1764      2.00000
      3       3.3873      2.00000
      4       3.7338      2.00000
      5       7.1820      0.00000
      6       8.5755      0.00000
      7      12.6915      0.00000
      8      12.7866      0.00000
      9      16.0140      0.00000
     10      16.2760      0.00000
     11      18.3464      0.00000
     12      19.4603      0.00000
     13      20.0165      0.00000
     14      20.9937      0.00000
     15      22.0119      0.00000
     16      22.9706      0.00000

 k-point    70 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2      -0.6314      2.00000
      3       1.7914      2.00000
      4       4.0714      2.00000
      5       7.8091      0.00000
      6      11.9052      0.00000
      7      12.0235      0.00000
      8      12.9639      0.00000
      9      13.8147      0.00000
     10      14.0047      0.00000
     11      19.3818      0.00000
     12      21.2337      0.00000
     13      21.5181      0.00000
     14      22.2295      0.00000
     15      22.9934      0.00000
     16      24.2270      0.00000

 k-point    71 :      -0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -3.6140      2.00000
      2      -0.4028      2.00000
      3       2.7815      2.00000
      4       4.5587      2.00000
      5       8.3768      0.00000
      6      10.4819      0.00000
      7      10.5893      0.00000
      8      13.7630      0.00000
      9      13.9636      0.00000
     10      14.9030      0.00000
     11      17.6013      0.00000
     12      20.2337      0.00000
     13      20.8779      0.00000
     14      21.3377      0.00000
     15      22.6688      0.00000
     16      25.0124      0.00000

 k-point    72 :      -0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.1130      2.00000
      2      -0.1806      2.00000
      3       4.0941      2.00000
      4       4.9627      2.00000
      5       8.3977      0.00000
      6       9.6153      0.00000
      7       9.6761      0.00000
      8      13.8709      0.00000
      9      14.1106      0.00000
     10      15.3788      0.00000
     11      17.6133      0.00000
     12      18.1414      0.00000
     13      20.4414      0.00000
     14      20.8533      0.00000
     15      22.9762      0.00000
     16      24.3467      0.00000

 k-point    73 :      -0.0000    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.8295      2.00000
      2      -0.8400      2.00000
      3       4.8938      2.00000
      4       4.8970      2.00000
      5       7.7705      0.00000
      6       9.3694      0.00000
      7       9.5027      0.00000
      8      13.8953      0.00000
      9      15.9778      0.00000
     10      16.1496      0.00000
     11      17.2455      0.00000
     12      18.0738      0.00000
     13      18.2510      0.00000
     14      19.6849      0.00000
     15      24.4654      0.00000
     16      26.7552      0.00000

 k-point    74 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9045      2.00000
      2      -0.5211      2.00000
      3       4.3005      2.00000
      4       4.6235      2.00000
      5       8.3070      0.00000
      6       9.4120      0.00000
      7       9.9336      0.00000
      8      13.5830      0.00000
      9      14.9336      0.00000
     10      16.4479      0.00000
     11      17.3702      0.00000
     12      17.8878      0.00000
     13      18.8146      0.00000
     14      21.2741      0.00000
     15      23.7051      0.00000
     16      25.1929      0.00000

 k-point    75 :       0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.8249      2.00000
      2      -0.0796      2.00000
      3       3.2637      2.00000
      4       4.1380      2.00000
      5       7.9981      0.00000
      6      10.6705      0.00000
      7      11.0958      0.00000
      8      11.4658      0.00000
      9      16.1212      0.00000
     10      16.9431      0.00000
     11      17.7149      0.00000
     12      17.9175      0.00000
     13      18.9715      0.00000
     14      22.3167      0.00000
     15      23.8985      0.00000
     16      24.4189      0.00000

 k-point    76 :       0.2727    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5699      2.00000
      2       0.1313      2.00000
      3       2.6484      2.00000
      4       3.6756      2.00000
      5       7.3725      0.00000
      6       9.3646      0.00000
      7      12.5506      0.00000
      8      12.6607      0.00000
      9      17.2138      0.00000
     10      17.3954      0.00000
     11      17.7770      0.00000
     12      18.1963      0.00000
     13      19.9458      0.00000
     14      21.8835      0.00000
     15      22.9692      0.00000
     16      24.7669      0.00000

 k-point    77 :       0.3636    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.1323      2.00000
      2      -0.3246      2.00000
      3       2.8779      2.00000
      4       3.3437      2.00000
      5       6.8739      0.00000
      6       7.7232      0.00000
      7      14.3264      0.00000
      8      14.4643      0.00000
      9      17.5410      0.00000
     10      17.7075      0.00000
     11      17.8981      0.00000
     12      18.3330      0.00000
     13      20.9506      0.00000
     14      21.3891      0.00000
     15      22.0609      0.00000
     16      24.0527      0.00000

 k-point    78 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.4539      2.00000
      2      -1.0436      2.00000
      3       2.0779      2.00000
      4       3.4192      2.00000
      5       7.0419      0.00000
      6       8.9373      0.00000
      7      14.0431      0.00000
      8      14.3580      0.00000
      9      15.7974      0.00000
     10      15.9746      0.00000
     11      19.4110      0.00000
     12      20.0595      0.00000
     13      21.6241      0.00000
     14      21.7452      0.00000
     15      22.3812      0.00000
     16      24.2478      0.00000

 k-point    79 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.9499      2.00000
      2      -0.6895      2.00000
      3       2.0763      2.00000
      4       3.7923      2.00000
      5       7.5106      0.00000
      6      10.8512      0.00000
      7      12.2728      0.00000
      8      12.4499      0.00000
      9      15.5508      0.00000
     10      15.7586      0.00000
     11      19.2675      0.00000
     12      19.4464      0.00000
     13      20.0930      0.00000
     14      23.8715      0.00000
     15      23.9722      0.00000
     16      24.4886      0.00000

 k-point    80 :      -0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.3364      2.00000
      2      -0.8060      2.00000
      3       2.9330      2.00000
      4       4.2748      2.00000
      5       8.1086      0.00000
      6      10.5303      0.00000
      7      10.8005      0.00000
      8      13.1097      0.00000
      9      15.2359      0.00000
     10      15.6203      0.00000
     11      17.7223      0.00000
     12      18.9100      0.00000
     13      19.8330      0.00000
     14      22.1425      0.00000
     15      24.9227      0.00000
     16      25.2136      0.00000

 k-point    81 :      -0.0909    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9305      2.00000
      3       4.1269      2.00000
      4       4.7308      2.00000
      5       8.2918      0.00000
      6       9.4474      0.00000
      7       9.7425      0.00000
      8      14.2558      0.00000
      9      15.4950      0.00000
     10      15.7499      0.00000
     11      17.1642      0.00000
     12      18.4589      0.00000
     13      19.0345      0.00000
     14      19.9767      0.00000
     15      25.0770      0.00000
     16      26.2235      0.00000

 k-point    82 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2763      2.00000
      3       5.5506      2.00000
      4       5.5541      2.00000
      5       8.3043      0.00000
      6       9.3068      0.00000
      7       9.3324      0.00000
      8      10.4209      0.00000
      9      12.9258      0.00000
     10      13.9665      0.00000
     11      14.7318      0.00000
     12      17.6492      0.00000
     13      17.6533      0.00000
     14      18.0171      0.00000
     15      22.6417      0.00000
     16      27.7999      0.00000

 k-point    83 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6495      2.00000
      2       3.9128      2.00000
      3       5.1337      2.00000
      4       5.3532      2.00000
      5       8.3261      0.00000
      6       9.3393      0.00000
      7       9.9436      0.00000
      8      11.1933      0.00000
      9      12.8049      0.00000
     10      13.9023      0.00000
     11      15.5782      0.00000
     12      17.2540      0.00000
     13      18.5492      0.00000
     14      19.4798      0.00000
     15      24.0205      0.00000
     16      25.8590      0.00000

 k-point    84 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1785      2.00000
      2       2.2578      2.00000
      3       4.8004      2.00000
      4       4.9693      2.00000
      5       8.4827      0.00000
      6       9.3078      0.00000
      7      10.2958      0.00000
      8      11.4014      0.00000
      9      13.9934      0.00000
     10      14.1682      0.00000
     11      15.6769      0.00000
     12      18.1809      0.00000
     13      20.0865      0.00000
     14      21.3302      0.00000
     15      23.4576      0.00000
     16      24.1388      0.00000

 k-point    85 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5296      2.00000
      2       0.7061      2.00000
      3       4.5679      2.00000
      4       4.6070      2.00000
      5       8.3361      0.00000
      6       9.3232      0.00000
      7      10.1973      0.00000
      8      12.1637      0.00000
      9      14.9476      0.00000
     10      15.0895      0.00000
     11      15.9417      0.00000
     12      19.9004      0.00000
     13      20.0876      0.00000
     14      21.5366      0.00000
     15      23.2012      0.00000
     16      23.6565      0.00000

 k-point    86 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.8224      2.00000
      2      -0.5343      2.00000
      3       4.2522      2.00000
      4       4.5639      2.00000
      5       8.1981      0.00000
      6       9.2689      0.00000
      7       9.9352      0.00000
      8      13.4377      0.00000
      9      14.8427      0.00000
     10      16.5189      0.00000
     11      17.4909      0.00000
     12      18.0899      0.00000
     13      19.0288      0.00000
     14      21.2358      0.00000
     15      23.9077      0.00000
     16      25.3704      0.00000

 k-point    87 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9551      2.00000
      3       4.0580      2.00000
      4       4.6688      2.00000
      5       8.1789      0.00000
      6       9.3248      0.00000
      7       9.7422      0.00000
      8      14.1503      0.00000
      9      15.4627      0.00000
     10      15.8626      0.00000
     11      17.2675      0.00000
     12      18.5969      0.00000
     13      18.9446      0.00000
     14      20.1103      0.00000
     15      25.3596      0.00000
     16      26.5460      0.00000

 k-point    88 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.0558      2.00000
      2      -0.1596      2.00000
      3       4.0093      2.00000
      4       4.9043      2.00000
      5       8.2897      0.00000
      6       9.5283      0.00000
      7       9.6780      0.00000
      8      13.9139      0.00000
      9      14.1765      0.00000
     10      15.3239      0.00000
     11      17.4219      0.00000
     12      18.1378      0.00000
     13      20.6534      0.00000
     14      21.1450      0.00000
     15      23.1200      0.00000
     16      24.5641      0.00000

 k-point    89 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2187      2.00000
      3       4.1242      2.00000
      4       5.2415      2.00000
      5       8.5164      0.00000
      6       9.6247      0.00000
      7       9.7914      0.00000
      8      12.8308      0.00000
      9      12.9949      0.00000
     10      15.4421      0.00000
     11      15.7697      0.00000
     12      19.1366      0.00000
     13      20.4218      0.00000
     14      22.2345      0.00000
     15      22.3244      0.00000
     16      24.1209      0.00000

 k-point    90 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3632      2.00000
      2       2.8088      2.00000
      3       4.4262      2.00000
      4       5.6237      2.00000
      5       8.8165      0.00000
      6       9.3630      0.00000
      7       9.7201      0.00000
      8      12.0640      0.00000
      9      12.4348      0.00000
     10      14.3388      0.00000
     11      15.8435      0.00000
     12      17.5419      0.00000
     13      19.3510      0.00000
     14      21.1708      0.00000
     15      23.4163      0.00000
     16      24.7647      0.00000

 k-point    91 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7636      2.00000
      2       4.2686      2.00000
      3       5.0413      2.00000
      4       5.9175      2.00000
      5       8.8744      0.00000
      6       9.1187      0.00000
      7       9.1625      0.00000
      8      11.2657      0.00000
      9      12.7802      0.00000
     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2275      0.00000
     13      17.9540      0.00000
     14      19.4185      0.00000
     15      23.3450      0.00000
     16      25.9152      0.00000

 k-point    92 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2745      2.00000
      3       5.5106      2.00000
      4       5.5945      2.00000
      5       8.3048      0.00000
      6       9.2379      0.00000
      7       9.4175      0.00000
      8      10.4058      0.00000
      9      12.9240      0.00000
     10      13.9673      0.00000
     11      14.7338      0.00000
     12      17.6199      0.00000
     13      17.6828      0.00000
     14      18.0163      0.00000
     15      22.6410      0.00000
     16      27.8821      0.00000

 k-point    93 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7577      2.00000
      2       4.2881      2.00000
      3       5.0746      2.00000
      4       5.9032      2.00000
      5       8.8280      0.00000
      6       8.9890      0.00000
      7       9.1429      0.00000
      8      11.3576      0.00000
      9      12.7255      0.00000
     10      13.6888      0.00000
     11      15.2817      0.00000
     12      17.2361      0.00000
     13      17.9813      0.00000
     14      19.4599      0.00000
     15      23.3967      0.00000
     16      26.2432      0.00000

 k-point    94 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3544      2.00000
      2       2.7889      2.00000
      3       4.4914      2.00000
      4       5.6202      2.00000
      5       8.7742      0.00000
      6       9.2447      0.00000
      7       9.7206      0.00000
      8      12.0210      0.00000
      9      12.3577      0.00000
     10      14.4842      0.00000
     11      15.8760      0.00000
     12      17.5770      0.00000
     13      19.3502      0.00000
     14      21.2350      0.00000
     15      23.7341      0.00000
     16      24.7698      0.00000

 k-point    95 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7581      2.00000
      2       1.1981      2.00000
      3       4.1748      2.00000
      4       5.2416      2.00000
      5       8.4765      0.00000
      6       9.5213      0.00000
      7       9.8362      0.00000
      8      12.7951      0.00000
      9      12.7991      0.00000
     10      15.4827      0.00000
     11      16.0084      0.00000
     12      19.2157      0.00000
     13      20.5156      0.00000
     14      22.3008      0.00000
     15      22.3415      0.00000
     16      24.0053      0.00000

 k-point    96 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.0441      2.00000
      2      -0.1750      2.00000
      3       4.0373      2.00000
      4       4.9030      2.00000
      5       8.2585      0.00000
      6       9.5740      0.00000
      7       9.6023      0.00000
      8      13.8414      0.00000
      9      14.0356      0.00000
     10      15.3356      0.00000
     11      17.7198      0.00000
     12      18.3521      0.00000
     13      20.5757      0.00000
     14      20.9866      0.00000
     15      23.0919      0.00000
     16      24.5246      0.00000

 k-point    97 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5298      2.00000
      2      -0.9569      2.00000
      3       4.0616      2.00000
      4       4.6619      2.00000
      5       8.1560      0.00000
      6       9.4102      0.00000
      7       9.6538      0.00000
      8      14.1934      0.00000
      9      15.5915      0.00000
     10      15.7290      0.00000
     11      17.2131      0.00000
     12      18.5184      0.00000
     13      19.0344      0.00000
     14      20.1576      0.00000
     15      25.3462      0.00000
     16      26.5172      0.00000

 k-point    98 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.8290      2.00000
      2      -0.5188      2.00000
      3       4.2327      2.00000
      4       4.5489      2.00000
      5       8.1813      0.00000
      6       9.3756      0.00000
      7       9.8580      0.00000
      8      13.6477      0.00000
      9      14.8851      0.00000
     10      16.4333      0.00000
     11      17.3204      0.00000
     12      17.9498      0.00000
     13      18.8982      0.00000
     14      21.5363      0.00000
     15      23.9077      0.00000
     16      25.3650      0.00000

 k-point    99 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.5373      2.00000
      2       0.7285      2.00000
      3       4.5312      2.00000
      4       4.5822      2.00000
      5       8.3213      0.00000
      6       9.4661      0.00000
      7      10.1258      0.00000
      8      12.3582      0.00000
      9      14.9910      0.00000
     10      14.9960      0.00000
     11      15.8085      0.00000
     12      19.8462      0.00000
     13      19.9335      0.00000
     14      21.5104      0.00000
     15      23.1411      0.00000
     16      23.7525      0.00000

 k-point   100 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.1842      2.00000
      2       2.2821      2.00000
      3       4.7682      2.00000
      4       4.9255      2.00000
      5       8.4681      0.00000
      6       9.5116      0.00000
      7      10.2200      0.00000
      8      11.5060      0.00000
      9      13.9644      0.00000
     10      14.0663      0.00000
     11      15.6983      0.00000
     12      18.1374      0.00000
     13      20.0589      0.00000
     14      21.3095      0.00000
     15      23.3284      0.00000
     16      23.9416      0.00000

 k-point   101 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6524      2.00000
      2       3.9314      2.00000
      3       5.0951      2.00000
      4       5.3326      2.00000
      5       8.3459      0.00000
      6       9.5263      0.00000
      7       9.8608      0.00000
      8      11.1798      0.00000
      9      12.7751      0.00000
     10      13.8993      0.00000
     11      15.5746      0.00000
     12      17.2570      0.00000
     13      18.5107      0.00000
     14      19.4745      0.00000
     15      23.9970      0.00000
     16      25.7481      0.00000

 k-point   102 :       0.0000    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.6556      2.00000
      2       3.8466      2.00000
      3       5.1976      2.00000
      4       5.3591      2.00000
      5       8.3487      0.00000
      6       9.3772      0.00000
      7      10.0051      0.00000
      8      11.1446      0.00000
      9      12.7995      0.00000
     10      13.9451      0.00000
     11      15.5459      0.00000
     12      17.2360      0.00000
     13      18.5284      0.00000
     14      19.4144      0.00000
     15      23.9780      0.00000
     16      25.7458      0.00000

 k-point   103 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4540      2.00000
      2      -0.7102      2.00000
      3       3.2214      2.00000
      4       4.3021      2.00000
      5       8.7037      0.00000
      6       9.1748      0.00000
      7      10.8093      0.00000
      8      13.5277      0.00000
      9      14.8607      0.00000
     10      15.9636      0.00000
     11      17.3621      0.00000
     12      18.7330      0.00000
     13      19.7754      0.00000
     14      21.9537      0.00000
     15      24.1538      0.00000
     16      25.9458      0.00000

 k-point   104 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1122      2.00000
      2       0.3290      2.00000
      3       3.3097      2.00000
      4       4.5173      2.00000
      5       8.7119      0.00000
      6       9.4404      0.00000
      7      10.9043      0.00000
      8      11.9795      0.00000
      9      14.7540      0.00000
     10      15.9399      0.00000
     11      17.8425      0.00000
     12      18.1605      0.00000
     13      20.4832      0.00000
     14      21.6224      0.00000
     15      23.2201      0.00000
     16      24.3643      0.00000

 k-point   105 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7152      2.00000
      3       3.5693      2.00000
      4       4.8760      2.00000
      5       8.6880      0.00000
      6       9.7404      0.00000
      7      10.8370      0.00000
      8      11.0013      0.00000
      9      13.6672      0.00000
     10      16.0923      0.00000
     11      16.5266      0.00000
     12      18.5450      0.00000
     13      20.1314      0.00000
     14      21.5487      0.00000
     15      22.2743      0.00000
     16      24.2982      0.00000

 k-point   106 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0278      2.00000
      3       4.1819      2.00000
      4       5.2258      2.00000
      5       8.4030      0.00000
      6       9.7940      0.00000
      7      10.5003      0.00000
      8      10.8596      0.00000
      9      13.2037      0.00000
     10      14.5842      0.00000
     11      16.4314      0.00000
     12      17.6584      0.00000
     13      18.8593      0.00000
     14      20.8111      0.00000
     15      23.4180      0.00000
     16      25.1194      0.00000

 k-point   107 :      -0.0000    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.1974      2.00000
      2       2.1916      2.00000
      3       4.8753      2.00000
      4       5.0099      2.00000
      5       8.5523      0.00000
      6       9.3243      0.00000
      7      10.3388      0.00000
      8      11.3920      0.00000
      9      14.0534      0.00000
     10      14.1778      0.00000
     11      15.7179      0.00000
     12      18.0177      0.00000
     13      19.9860      0.00000
     14      21.2030      0.00000
     15      23.3899      0.00000
     16      24.0534      0.00000

 k-point   108 :       0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3726      2.00000
      2       2.7380      2.00000
      3       4.5087      2.00000
      4       5.6514      2.00000
      5       8.8797      0.00000
      6       9.3365      0.00000
      7       9.7346      0.00000
      8      12.0273      0.00000
      9      12.4434      0.00000
     10      14.4211      0.00000
     11      15.8765      0.00000
     12      17.4631      0.00000
     13      19.2435      0.00000
     14      21.1288      0.00000
     15      23.4500      0.00000
     16      24.6818      0.00000

 k-point   109 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3288      2.00000
      2       3.0305      2.00000
      3       4.1784      2.00000
      4       5.2286      2.00000
      5       8.4036      0.00000
      6       9.7809      0.00000
      7      10.5026      0.00000
      8      10.8643      0.00000
      9      13.2077      0.00000
     10      14.5834      0.00000
     11      16.4275      0.00000
     12      17.6580      0.00000
     13      18.8610      0.00000
     14      20.8106      0.00000
     15      23.4184      0.00000
     16      25.1068      0.00000

 k-point   110 :      -0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6457      2.00000
      3       3.6573      2.00000
      4       4.9187      2.00000
      5       8.7726      0.00000
      6       9.6762      0.00000
      7      10.7599      0.00000
      8      10.9910      0.00000
      9      13.7322      0.00000
     10      16.1801      0.00000
     11      16.5629      0.00000
     12      18.4659      0.00000
     13      20.0551      0.00000
     14      21.5761      0.00000
     15      22.2161      0.00000
     16      24.4027      0.00000

 k-point   111 :       0.0000    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.5704      2.00000
      2       0.6642      2.00000
      3       4.6273      2.00000
      4       4.6845      2.00000
      5       8.4495      0.00000
      6       9.3409      0.00000
      7      10.2521      0.00000
      8      12.1163      0.00000
      9      15.0409      0.00000
     10      15.1327      0.00000
     11      15.9622      0.00000
     12      19.7128      0.00000
     13      19.9215      0.00000
     14      21.3750      0.00000
     15      23.1048      0.00000
     16      23.5371      0.00000

 k-point   112 :       0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1609      2.00000
      3       4.2163      2.00000
      4       5.2895      2.00000
      5       8.6102      0.00000
      6       9.5982      0.00000
      7       9.8476      0.00000
      8      12.7869      0.00000
      9      12.9452      0.00000
     10      15.5348      0.00000
     11      15.9203      0.00000
     12      18.9597      0.00000
     13      20.2905      0.00000
     14      22.1432      0.00000
     15      22.1816      0.00000
     16      23.9841      0.00000

 k-point   113 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.8121      2.00000
      2       1.6668      2.00000
      3       3.6297      2.00000
      4       4.9092      2.00000
      5       8.7135      0.00000
      6       9.7626      0.00000
      7      10.8675      0.00000
      8      10.9721      0.00000
      9      13.6282      0.00000
     10      16.1869      0.00000
     11      16.6097      0.00000
     12      18.4227      0.00000
     13      20.0299      0.00000
     14      21.5529      0.00000
     15      22.1463      0.00000
     16      24.1877      0.00000

 k-point   114 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6151      2.00000
      2       1.7362      2.00000
      3       3.4452      2.00000
      4       4.1914      2.00000
      5       7.8265      0.00000
      6       9.3626      0.00000
      7      11.1238      0.00000
      8      12.1851      0.00000
      9      14.6930      0.00000
     10      16.2442      0.00000
     11      17.7037      0.00000
     12      18.6757      0.00000
     13      20.0481      0.00000
     14      21.4957      0.00000
     15      21.6415      0.00000
     16      23.8615      0.00000

 k-point   115 :      -0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5498      2.00000
      2      -0.0720      2.00000
      3       2.2497      2.00000
      4       4.1056      2.00000
      5       8.9369      0.00000
      6       9.9969      0.00000
      7      11.5490      0.00000
      8      12.3234      0.00000
      9      14.6847      0.00000
     10      14.9892      0.00000
     11      18.6283      0.00000
     12      20.4717      0.00000
     13      20.8497      0.00000
     14      21.3490      0.00000
     15      23.6444      0.00000
     16      24.0572      0.00000

 k-point   116 :      -0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2763      2.00000
      3       3.4100      2.00000
      4       4.5686      2.00000
      5       8.8715      0.00000
      6       9.4294      0.00000
      7      10.9294      0.00000
      8      11.7186      0.00000
      9      14.8401      0.00000
     10      16.0416      0.00000
     11      18.0013      0.00000
     12      18.1429      0.00000
     13      20.4914      0.00000
     14      21.4905      0.00000
     15      22.9898      0.00000
     16      24.0092      0.00000

 k-point   117 :      -0.0000    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.8986      2.00000
      2      -0.5360      2.00000
      3       4.3168      2.00000
      4       4.6405      2.00000
      5       8.3306      0.00000
      6       9.3021      0.00000
      7      10.0088      0.00000
      8      13.3668      0.00000
      9      14.9012      0.00000
     10      16.5685      0.00000
     11      17.5424      0.00000
     12      18.0142      0.00000
     13      18.9186      0.00000
     14      20.9799      0.00000
     15      23.6999      0.00000
     16      25.2090      0.00000

 k-point   118 :       0.0909    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1129      2.00000
      2      -0.1808      2.00000
      3       4.0933      2.00000
      4       4.9635      2.00000
      5       8.3982      0.00000
      6       9.6148      0.00000
      7       9.6764      0.00000
      8      13.8710      0.00000
      9      14.1100      0.00000
     10      15.3780      0.00000
     11      17.6150      0.00000
     12      18.1430      0.00000
     13      20.4408      0.00000
     14      20.8518      0.00000
     15      22.9748      0.00000
     16      24.3451      0.00000

 k-point   119 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1495      2.00000
      2       0.2981      2.00000
      3       3.3732      2.00000
      4       4.5724      2.00000
      5       8.7762      0.00000
      6       9.4826      0.00000
      7      10.9732      0.00000
      8      11.8962      0.00000
      9      14.6739      0.00000
     10      16.0612      0.00000
     11      18.0104      0.00000
     12      18.1395      0.00000
     13      20.2430      0.00000
     14      21.4646      0.00000
     15      23.0117      0.00000
     16      24.2324      0.00000

 k-point   120 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9938      2.00000
      2       0.6364      2.00000
      3       2.8487      2.00000
      4       3.8876      2.00000
      5       8.1754      0.00000
      6       9.8135      0.00000
      7      10.8281      0.00000
      8      12.6453      0.00000
      9      15.4362      0.00000
     10      16.9773      0.00000
     11      18.2268      0.00000
     12      18.7047      0.00000
     13      20.2269      0.00000
     14      20.9929      0.00000
     15      22.5648      0.00000
     16      24.5723      0.00000

 k-point   121 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6425      2.00000
      2       0.3485      2.00000
      3       2.9589      2.00000
      4       3.3633      2.00000
      5       7.4548      0.00000
      6       8.2990      0.00000
      7      12.5277      0.00000
      8      13.9594      0.00000
      9      16.3472      0.00000
     10      17.4932      0.00000
     11      18.1535      0.00000
     12      19.4594      0.00000
     13      20.3591      0.00000
     14      21.0490      0.00000
     15      22.4793      0.00000
     16      23.1289      0.00000

 k-point   122 :      -0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4968      2.00000
      2      -0.9702      2.00000
      3       1.7616      2.00000
      4       3.2945      2.00000
      5       8.0308      0.00000
      6      10.7493      0.00000
      7      12.0057      0.00000
      8      13.3103      0.00000
      9      14.2806      0.00000
     10      16.3428      0.00000
     11      19.4551      0.00000
     12      20.5931      0.00000
     13      21.7980      0.00000
     14      22.2375      0.00000
     15      23.4408      0.00000
     16      24.6879      0.00000

 k-point   123 :      -0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.0540      2.00000
      2      -0.7563      2.00000
      3       2.2663      2.00000
      4       3.7980      2.00000
      5       8.5711      0.00000
      6      10.2080      0.00000
      7      12.4128      0.00000
      8      12.9109      0.00000
      9      13.3108      0.00000
     10      16.2363      0.00000
     11      18.4542      0.00000
     12      19.3641      0.00000
     13      21.7687      0.00000
     14      22.5081      0.00000
     15      23.4972      0.00000
     16      24.6181      0.00000

 k-point   124 :      -0.0909   -0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5332      2.00000
      2      -0.7074      2.00000
      3       3.3058      2.00000
      4       4.3485      2.00000
      5       8.8853      0.00000
      6       9.2025      0.00000
      7      10.8718      0.00000
      8      13.1795      0.00000
      9      14.9697      0.00000
     10      16.0554      0.00000
     11      17.4173      0.00000
     12      18.8773      0.00000
     13      19.9024      0.00000
     14      21.4045      0.00000
     15      23.9427      0.00000
     16      25.7309      0.00000

 k-point   125 :      -0.0000   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6352      2.00000
      2      -0.9290      2.00000
      3       4.1210      2.00000
      4       4.7397      2.00000
      5       8.3217      0.00000
      6       9.3611      0.00000
      7       9.8259      0.00000
      8      14.2025      0.00000
      9      15.4069      0.00000
     10      15.8540      0.00000
     11      17.2184      0.00000
     12      18.6132      0.00000
     13      18.8545      0.00000
     14      19.9429      0.00000
     15      25.0847      0.00000
     16      26.2533      0.00000

 k-point   126 :       0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9306      2.00000
      3       4.1260      2.00000
      4       4.7316      2.00000
      5       8.2925      0.00000
      6       9.4463      0.00000
      7       9.7432      0.00000
      8      14.2557      0.00000
      9      15.4962      0.00000
     10      15.7493      0.00000
     11      17.1637      0.00000
     12      18.4582      0.00000
     13      19.0346      0.00000
     14      19.9771      0.00000
     15      25.0756      0.00000
     16      26.2235      0.00000

 k-point   127 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5329      2.00000
      2      -0.6942      2.00000
      3       3.2704      2.00000
      4       4.3678      2.00000
      5       8.7889      0.00000
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     10      15.9264      0.00000
     11      17.2948      0.00000
     12      18.6293      0.00000
     13      19.9213      0.00000
     14      21.7318      0.00000
     15      23.9255      0.00000
     16      25.7021      0.00000

 k-point   128 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.3174      2.00000
      2      -0.3913      2.00000
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     10      16.7631      0.00000
     11      17.8275      0.00000
     12      19.2051      0.00000
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     14      22.5786      0.00000
     15      24.3000      0.00000
     16      24.8298      0.00000

 k-point   129 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4739      2.00000
      3       2.2731      2.00000
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     10      17.2962      0.00000
     11      18.1449      0.00000
     12      20.2493      0.00000
     13      20.9090      0.00000
     14      21.4229      0.00000
     15      23.3650      0.00000
     16      23.8825      0.00000

 k-point   130 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4455      2.00000
      2      -1.0835      2.00000
      3       2.7635      2.00000
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     10      17.5850      0.00000
     11      18.3082      0.00000
     12      19.8630      0.00000
     13      20.1220      0.00000
     14      21.6966      0.00000
     15      22.8155      0.00000
     16      24.3329      0.00000

 k-point   131 :      -0.3636   -0.4545   -0.9091
  band No.  band energies     occupation 
      1      -2.4752      2.00000
      2      -1.0492      2.00000
      3       2.7699      2.00000
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     10      17.5987      0.00000
     11      18.3077      0.00000
     12      19.8420      0.00000
     13      19.9426      0.00000
     14      21.8770      0.00000
     15      22.9728      0.00000
     16      24.3635      0.00000

 k-point   132 :      -0.2727    0.5455    0.0909
  band No.  band energies     occupation 
      1      -2.9835      2.00000
      2      -0.4471      2.00000
      3       2.2922      2.00000
      4       3.1651      2.00000
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     10      17.4923      0.00000
     11      18.3214      0.00000
     12      19.9999      0.00000
     13      20.8214      0.00000
     14      21.4017      0.00000
     15      23.4197      0.00000
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 k-point   133 :      -0.1818    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.3365      2.00000
      2      -0.3795      2.00000
      3       2.4883      2.00000
      4       3.6997      2.00000
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     10      16.9850      0.00000
     11      17.9844      0.00000
     12      19.2541      0.00000
     13      19.9257      0.00000
     14      22.6313      0.00000
     15      24.2006      0.00000
     16      24.7698      0.00000

 k-point   134 :      -0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5452      2.00000
      2      -0.6893      2.00000
      3       3.2888      2.00000
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     10      16.0565      0.00000
     11      17.4030      0.00000
     12      18.8173      0.00000
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     14      21.7163      0.00000
     15      23.9748      0.00000
     16      25.7186      0.00000

 k-point   135 :      -0.0000   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1242      2.00000
      2      -0.1661      2.00000
      3       4.0647      2.00000
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     10      15.3509      0.00000
     11      17.3165      0.00000
     12      17.9334      0.00000
     13      20.6277      0.00000
     14      20.8959      0.00000
     15      23.0065      0.00000
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 k-point   136 :       0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.9046      2.00000
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      3       4.2997      2.00000
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     10      16.4472      0.00000
     11      17.3691      0.00000
     12      17.8870      0.00000
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     14      21.2760      0.00000
     15      23.7053      0.00000
     16      25.1954      0.00000

 k-point   137 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.5330      2.00000
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      3       3.2706      2.00000
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 k-point   138 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
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 k-point   139 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
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 k-point   140 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
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 k-point   141 :      -0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
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 k-point   142 :      -0.1818   -0.3636    0.0909
  band No.  band energies     occupation 
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 k-point   143 :      -0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
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 k-point   144 :       0.0000   -0.2727    0.0909
  band No.  band energies     occupation 
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 k-point   145 :       0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5777      2.00000
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 k-point   146 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1497      2.00000
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 k-point   147 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5501      2.00000
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 k-point   148 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.8541      2.00000
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 k-point   149 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.4307      2.00000
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 k-point   150 :       0.5455   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9284      2.00000
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      3       2.3204      2.00000
      4       3.1550      2.00000
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     10      17.5520      0.00000
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 k-point   151 :      -0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6329      2.00000
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      3       3.4237      2.00000
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     14      21.4298      0.00000
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 k-point   152 :      -0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.8265      2.00000
      2       1.6848      2.00000
      3       3.5935      2.00000
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     14      21.3810      0.00000
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 k-point   153 :      -0.0000   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3812      2.00000
      2       2.7580      2.00000
      3       4.4429      2.00000
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     10      14.2869      0.00000
     11      15.8398      0.00000
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     14      21.0678      0.00000
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 k-point   154 :       0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.2029      2.00000
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      3       4.8392      2.00000
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     10      14.1706      0.00000
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 k-point   155 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8122      2.00000
      2       1.6669      2.00000
      3       3.6302      2.00000
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     10      16.1855      0.00000
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     13      20.0296      0.00000
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 k-point   156 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2301      2.00000
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      3       2.6010      2.00000
      4       4.5298      2.00000
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     10      16.6894      0.00000
     11      18.2934      0.00000
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     14      22.0925      0.00000
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 k-point   157 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5219      2.00000
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      3       2.2191      2.00000
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     10      14.9666      0.00000
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 k-point   158 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -2.9761      2.00000
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      3       2.2482      2.00000
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     10      16.3457      0.00000
     11      18.3724      0.00000
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 k-point   159 :       0.5455   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.2606      2.00000
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      3       2.4938      2.00000
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     14      22.7871      0.00000
     15      24.0067      0.00000
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 k-point   160 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.9709      2.00000
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      3       2.8774      2.00000
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     10      16.8791      0.00000
     11      18.1385      0.00000
     12      18.6922      0.00000
     13      20.5896      0.00000
     14      21.0630      0.00000
     15      22.7155      0.00000
     16      24.3978      0.00000

 k-point   161 :      -0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0309      2.00000
      3       4.1434      2.00000
      4       5.2364      2.00000
      5       8.4636      0.00000
      6       9.8969      0.00000
      7      10.5419      0.00000
      8      10.8684      0.00000
      9      13.2285      0.00000
     10      14.5227      0.00000
     11      16.3759      0.00000
     12      17.6650      0.00000
     13      18.7855      0.00000
     14      20.7161      0.00000
     15      23.1244      0.00000
     16      25.1187      0.00000

 k-point   162 :      -0.0000   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7695      2.00000
      2       4.2548      2.00000
      3       5.0017      2.00000
      4       5.9346      2.00000
      5       9.0514      0.00000
      6       9.0960      0.00000
      7       9.1982      0.00000
      8      11.1752      0.00000
      9      12.8366      0.00000
     10      13.6740      0.00000
     11      15.1867      0.00000
     12      17.2188      0.00000
     13      17.9248      0.00000
     14      19.3790      0.00000
     15      23.2943      0.00000
     16      25.5816      0.00000

 k-point   163 :       0.0909   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6584      2.00000
      2       3.8671      2.00000
      3       5.1545      2.00000
      4       5.3445      2.00000
      5       8.3725      0.00000
      6       9.5517      0.00000
      7       9.9129      0.00000
      8      11.1398      0.00000
      9      12.7773      0.00000
     10      13.9414      0.00000
     11      15.5369      0.00000
     12      17.2419      0.00000
     13      18.4880      0.00000
     14      19.4107      0.00000
     15      23.9566      0.00000
     16      25.5695      0.00000

 k-point   164 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3289      2.00000
      2       3.0305      2.00000
      3       4.1791      2.00000
      4       5.2282      2.00000
      5       8.4044      0.00000
      6       9.7805      0.00000
      7      10.5028      0.00000
      8      10.8639      0.00000
      9      13.2075      0.00000
     10      14.5828      0.00000
     11      16.4275      0.00000
     12      17.6593      0.00000
     13      18.8627      0.00000
     14      20.8096      0.00000
     15      23.4161      0.00000
     16      25.1055      0.00000

 k-point   165 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7963      2.00000
      2       1.6951      2.00000
      3       3.5941      2.00000
      4       4.8906      2.00000
      5       8.7512      0.00000
      6       9.6418      0.00000
      7      10.7384      0.00000
      8      11.0096      0.00000
      9      13.7765      0.00000
     10      16.0879      0.00000
     11      16.4733      0.00000
     12      18.5880      0.00000
     13      20.1553      0.00000
     14      21.5735      0.00000
     15      22.3271      0.00000
     16      24.5166      0.00000

 k-point   166 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1079      2.00000
      2       0.3067      2.00000
      3       3.3455      2.00000
      4       4.5168      2.00000
      5       8.8035      0.00000
      6       9.3845      0.00000
      7      10.8653      0.00000
      8      11.7980      0.00000
      9      14.9149      0.00000
     10      15.9245      0.00000
     11      17.8332      0.00000
     12      18.1662      0.00000
     13      20.7326      0.00000
     14      21.6476      0.00000
     15      23.1976      0.00000
     16      24.1379      0.00000

 k-point   167 :      -0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.4534      2.00000
      2      -0.7240      2.00000
      3       3.2573      2.00000
      4       4.2838      2.00000
      5       8.7929      0.00000
      6       9.1496      0.00000
      7      10.7816      0.00000
      8      13.2978      0.00000
      9      14.8473      0.00000
     10      16.0721      0.00000
     11      17.4937      0.00000
     12      18.9802      0.00000
     13      19.7666      0.00000
     14      21.6219      0.00000
     15      24.1674      0.00000
     16      25.9745      0.00000

 k-point   168 :       0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.4533      2.00000
      2      -0.7242      2.00000
      3       3.2571      2.00000
      4       4.2840      2.00000
      5       8.7925      0.00000
      6       9.1501      0.00000
      7      10.7815      0.00000
      8      13.2965      0.00000
      9      14.8482      0.00000
     10      16.0728      0.00000
     11      17.4937      0.00000
     12      18.9801      0.00000
     13      19.7682      0.00000
     14      21.6198      0.00000
     15      24.1655      0.00000
     16      25.9742      0.00000

 k-point   169 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1077      2.00000
      2       0.3065      2.00000
      3       3.3450      2.00000
      4       4.5174      2.00000
      5       8.8028      0.00000
      6       9.3855      0.00000
      7      10.8650      0.00000
      8      11.7971      0.00000
      9      14.9153      0.00000
     10      15.9243      0.00000
     11      17.8348      0.00000
     12      18.1671      0.00000
     13      20.7322      0.00000
     14      21.6466      0.00000
     15      23.1959      0.00000
     16      24.1364      0.00000

 k-point   170 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7961      2.00000
      2       1.6950      2.00000
      3       3.5934      2.00000
      4       4.8912      2.00000
      5       8.7504      0.00000
      6       9.6426      0.00000
      7      10.7381      0.00000
      8      11.0094      0.00000
      9      13.7765      0.00000
     10      16.0893      0.00000
     11      16.4724      0.00000
     12      18.5871      0.00000
     13      20.1557      0.00000
     14      21.5737      0.00000
     15      22.3275      0.00000
     16      24.5169      0.00000

 k-point   171 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4700      2.00000
      2       3.7780      2.00000
      3       4.7000      2.00000
      4       4.7008      2.00000
      5       7.6466      0.00000
      6      10.2408      0.00000
      7      10.7066      0.00000
      8      10.7237      0.00000
      9      13.0382      0.00000
     10      14.4529      0.00000
     11      16.2398      0.00000
     12      18.3932      0.00000
     13      18.3957      0.00000
     14      19.0159      0.00000
     15      25.1485      0.00000
     16      25.4125      0.00000

 k-point   172 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0671      2.00000
      2       2.5873      2.00000
      3       4.3037      2.00000
      4       4.3426      2.00000
      5       7.6773      0.00000
      6       9.7450      0.00000
      7      10.9369      0.00000
      8      11.3054      0.00000
      9      14.3620      0.00000
     10      14.7744      0.00000
     11      16.9748      0.00000
     12      18.3936      0.00000
     13      19.3732      0.00000
     14      20.7080      0.00000
     15      23.4205      0.00000
     16      23.9567      0.00000

 k-point   173 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.4717      2.00000
      2       1.1731      2.00000
      3       3.7574      2.00000
      4       4.1362      2.00000
      5       7.9186      0.00000
      6      10.0908      0.00000
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      8      11.3547      0.00000
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     10      16.1094      0.00000
     11      16.6802      0.00000
     12      19.6843      0.00000
     13      19.7933      0.00000
     14      21.4649      0.00000
     15      22.3572      0.00000
     16      23.7038      0.00000

 k-point   174 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.7572      2.00000
      2      -0.1099      2.00000
      3       3.2559      2.00000
      4       4.1018      2.00000
      5       7.9532      0.00000
      6      10.5010      0.00000
      7      11.0665      0.00000
      8      11.3326      0.00000
      9      16.0385      0.00000
     10      16.9899      0.00000
     11      17.8796      0.00000
     12      18.0814      0.00000
     13      19.1704      0.00000
     14      22.5259      0.00000
     15      24.0731      0.00000
     16      24.2576      0.00000

 k-point   175 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.2435      2.00000
      2      -0.8525      2.00000
      3       2.8970      2.00000
      4       4.2372      2.00000
      5       8.0588      0.00000
      6      10.3716      0.00000
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      8      13.0018      0.00000
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     10      15.7578      0.00000
     11      17.7176      0.00000
     12      19.0341      0.00000
     13      19.9828      0.00000
     14      21.9942      0.00000
     15      25.2110      0.00000
     16      25.4549      0.00000

 k-point   176 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.5594      2.00000
      2      -0.4030      2.00000
      3       2.7254      2.00000
      4       4.5257      2.00000
      5       8.3304      0.00000
      6      10.3583      0.00000
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      8      13.8672      0.00000
      9      14.0741      0.00000
     10      14.8040      0.00000
     11      17.5246      0.00000
     12      20.0429      0.00000
     13      21.0583      0.00000
     14      21.5809      0.00000
     15      22.8504      0.00000
     16      25.2213      0.00000

 k-point   177 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2691      2.00000
      2       0.7647      2.00000
      3       2.7987      2.00000
      4       4.9294      2.00000
      5       8.7302      0.00000
      6      10.3140      0.00000
      7      10.4366      0.00000
      8      12.5330      0.00000
      9      12.6691      0.00000
     10      16.2592      0.00000
     11      18.1465      0.00000
     12      18.2511      0.00000
     13      20.2055      0.00000
     14      22.3164      0.00000
     15      23.0019      0.00000
     16      24.0532      0.00000

 k-point   178 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9102      2.00000
      2       1.9677      2.00000
      3       3.3136      2.00000
      4       5.3652      2.00000
      5       9.1031      0.00000
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      9      12.1337      0.00000
     10      16.2370      0.00000
     11      16.8564      0.00000
     12      17.8242      0.00000
     13      19.9591      0.00000
     14      21.2740      0.00000
     15      22.7717      0.00000
     16      24.9459      0.00000

 k-point   179 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3170      2.00000
      2       3.0308      2.00000
      3       4.2137      2.00000
      4       5.2203      2.00000
      5       8.3486      0.00000
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      9      13.1749      0.00000
     10      14.6640      0.00000
     11      16.4769      0.00000
     12      17.6505      0.00000
     13      18.9288      0.00000
     14      20.9099      0.00000
     15      23.7152      0.00000
     16      25.1229      0.00000

 k-point   180 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7817      2.00000
      2       1.6761      2.00000
      3       3.6311      2.00000
      4       4.8894      2.00000
      5       8.6722      0.00000
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      8      10.9295      0.00000
      9      13.6015      0.00000
     10      16.3016      0.00000
     11      16.5583      0.00000
     12      18.5880      0.00000
     13      20.2365      0.00000
     14      21.7582      0.00000
     15      22.3334      0.00000
     16      24.3454      0.00000

 k-point   181 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.0917      2.00000
      2       0.2908      2.00000
      3       3.3552      2.00000
      4       4.5287      2.00000
      5       8.7198      0.00000
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      8      11.7701      0.00000
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     10      16.0344      0.00000
     11      18.1233      0.00000
     12      18.3317      0.00000
     13      20.5279      0.00000
     14      21.6162      0.00000
     15      23.1849      0.00000
     16      24.1446      0.00000

 k-point   182 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4408      2.00000
      2      -0.7297      2.00000
      3       3.2376      2.00000
      4       4.3062      2.00000
      5       8.7117      0.00000
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     10      15.9691      0.00000
     11      17.3833      0.00000
     12      18.7911      0.00000
     13      20.0623      0.00000
     14      21.6366      0.00000
     15      24.1164      0.00000
     16      25.9588      0.00000

 k-point   183 :       0.6364    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4539      2.00000
      2      -0.7103      2.00000
      3       3.2208      2.00000
      4       4.3026      2.00000
      5       8.7048      0.00000
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     10      15.9632      0.00000
     11      17.3609      0.00000
     12      18.7312      0.00000
     13      19.7771      0.00000
     14      21.9535      0.00000
     15      24.1514      0.00000
     16      25.9460      0.00000

 k-point   184 :      -0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1121      2.00000
      2       0.3288      2.00000
      3       3.3091      2.00000
      4       4.5179      2.00000
      5       8.7126      0.00000
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     10      15.9394      0.00000
     11      17.8441      0.00000
     12      18.1615      0.00000
     13      20.4812      0.00000
     14      21.6210      0.00000
     15      23.2188      0.00000
     16      24.3644      0.00000

 k-point   185 :      -0.1818    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7150      2.00000
      3       3.5688      2.00000
      4       4.8766      2.00000
      5       8.6883      0.00000
      6       9.7416      0.00000
      7      10.8364      0.00000
      8      11.0009      0.00000
      9      13.6666      0.00000
     10      16.0938      0.00000
     11      16.5256      0.00000
     12      18.5439      0.00000
     13      20.1318      0.00000
     14      21.5493      0.00000
     15      22.2743      0.00000
     16      24.2975      0.00000

 k-point   186 :      -0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0277      2.00000
      3       4.1815      2.00000
      4       5.2263      2.00000
      5       8.4031      0.00000
      6       9.7951      0.00000
      7      10.4991      0.00000
      8      10.8596      0.00000
      9      13.2035      0.00000
     10      14.5855      0.00000
     11      16.4309      0.00000
     12      17.6575      0.00000
     13      18.8574      0.00000
     14      20.8134      0.00000
     15      23.4207      0.00000
     16      25.1181      0.00000

 k-point   187 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.4701      2.00000
      2       3.7747      2.00000
      3       4.6391      2.00000
      4       4.7636      2.00000
      5       7.6462      0.00000
      6      10.2595      0.00000
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      8      10.7675      0.00000
      9      13.0303      0.00000
     10      14.4548      0.00000
     11      16.2422      0.00000
     12      18.3592      0.00000
     13      18.4346      0.00000
     14      19.0090      0.00000
     15      25.1477      0.00000
     16      25.4173      0.00000

 k-point   188 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.8863      2.00000
      2       1.9588      2.00000
      3       3.3451      2.00000
      4       5.3452      2.00000
      5       9.0506      0.00000
      6       9.7444      0.00000
      7      10.1160      0.00000
      8      11.7592      0.00000
      9      12.0454      0.00000
     10      16.4109      0.00000
     11      16.9408      0.00000
     12      17.8337      0.00000
     13      20.1063      0.00000
     14      21.5029      0.00000
     15      22.8900      0.00000
     16      24.9296      0.00000

 k-point   189 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.2408      2.00000
      2       0.7315      2.00000
      3       2.8400      2.00000
      4       4.9094      2.00000
      5       8.6946      0.00000
      6      10.2398      0.00000
      7      10.4276      0.00000
      8      12.4265      0.00000
      9      12.5100      0.00000
     10      16.4500      0.00000
     11      18.3216      0.00000
     12      18.4387      0.00000
     13      20.2348      0.00000
     14      22.3792      0.00000
     15      22.9527      0.00000
     16      23.9560      0.00000

 k-point   190 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.5326      2.00000
      2      -0.4256      2.00000
      3       2.7451      2.00000
      4       4.4999      2.00000
      5       8.2980      0.00000
      6      10.3890      0.00000
      7      10.4769      0.00000
      8      13.8273      0.00000
      9      13.8347      0.00000
     10      15.0549      0.00000
     11      17.6011      0.00000
     12      20.3668      0.00000
     13      20.9970      0.00000
     14      21.4165      0.00000
     15      22.7713      0.00000
     16      25.2643      0.00000

 k-point   191 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.2398      2.00000
      2      -0.8399      2.00000
      3       2.8912      2.00000
      4       4.2035      2.00000
      5       8.0264      0.00000
      6      10.4210      0.00000
      7      10.7125      0.00000
      8      13.2495      0.00000
      9      15.2180      0.00000
     10      15.6180      0.00000
     11      17.7038      0.00000
     12      18.9569      0.00000
     13      19.8174      0.00000
     14      22.3485      0.00000
     15      25.1558      0.00000
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 k-point   192 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.7692      2.00000
      2      -0.0706      2.00000
      3       3.2279      2.00000
      4       4.0598      2.00000
      5       7.9226      0.00000
      6      10.5733      0.00000
      7      11.0305      0.00000
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      9      16.0654      0.00000
     10      16.9241      0.00000
     11      17.7900      0.00000
     12      17.8838      0.00000
     13      19.0613      0.00000
     14      22.5370      0.00000
     15      24.0167      0.00000
     16      24.5819      0.00000

 k-point   193 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4825      2.00000
      2       1.2169      2.00000
      3       3.7202      2.00000
      4       4.0862      2.00000
      5       7.9051      0.00000
      6      10.2556      0.00000
      7      10.8302      0.00000
      8      11.3201      0.00000
      9      15.5921      0.00000
     10      16.0055      0.00000
     11      16.7048      0.00000
     12      19.5983      0.00000
     13      19.6939      0.00000
     14      21.3945      0.00000
     15      22.2282      0.00000
     16      23.6413      0.00000

 k-point   194 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0730      2.00000
      2       2.6161      2.00000
      3       4.2848      2.00000
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      5       7.7028      0.00000
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      8      11.2584      0.00000
      9      14.2944      0.00000
     10      14.7660      0.00000
     11      17.0137      0.00000
     12      18.3749      0.00000
     13      19.3131      0.00000
     14      20.6677      0.00000
     15      23.3012      0.00000
     16      23.8151      0.00000

 k-point   195 :       0.0000    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.0765      2.00000
      2       2.5559      2.00000
      3       4.2702      2.00000
      4       4.4176      2.00000
      5       7.6952      0.00000
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      8      11.3428      0.00000
      9      14.3217      0.00000
     10      14.8072      0.00000
     11      16.9792      0.00000
     12      18.3730      0.00000
     13      19.3370      0.00000
     14      20.5879      0.00000
     15      23.3299      0.00000
     16      23.8742      0.00000

 k-point   196 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.1940      2.00000
      2       0.9188      2.00000
      3       2.6213      2.00000
      4       4.5145      2.00000
      5       9.3289      0.00000
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      8      11.8140      0.00000
      9      13.5931      0.00000
     10      16.8872      0.00000
     11      18.4975      0.00000
     12      18.6674      0.00000
     13      19.8340      0.00000
     14      22.2589      0.00000
     15      22.4966      0.00000
     16      25.1096      0.00000

 k-point   197 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.4837      2.00000
      2      -0.0958      2.00000
      3       2.2231      2.00000
      4       4.0760      2.00000
      5       8.8528      0.00000
      6       9.8499      0.00000
      7      11.6027      0.00000
      8      12.2589      0.00000
      9      14.5532      0.00000
     10      15.1935      0.00000
     11      18.6096      0.00000
     12      20.6767      0.00000
     13      20.8586      0.00000
     14      21.3761      0.00000
     15      23.8623      0.00000
     16      24.2245      0.00000

 k-point   198 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.9530      2.00000
      2      -0.8054      2.00000
      3       2.2229      2.00000
      4       3.7631      2.00000
      5       8.4662      0.00000
      6      10.0556      0.00000
      7      12.3517      0.00000
      8      13.0362      0.00000
      9      13.4617      0.00000
     10      16.1240      0.00000
     11      18.3749      0.00000
     12      19.3026      0.00000
     13      21.9677      0.00000
     14      22.6851      0.00000
     15      23.6753      0.00000
     16      24.7187      0.00000

 k-point   199 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4031      2.00000
      3       2.4482      2.00000
      4       3.6681      2.00000
      5       8.2431      0.00000
      6      10.3360      0.00000
      7      11.3712      0.00000
      8      12.5083      0.00000
      9      15.1852      0.00000
     10      16.8582      0.00000
     11      17.9096      0.00000
     12      19.2323      0.00000
     13      20.0916      0.00000
     14      22.7722      0.00000
     15      24.3801      0.00000
     16      24.9052      0.00000

 k-point   200 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6514      2.00000
      3       2.8400      2.00000
      4       3.8365      2.00000
      5       8.1303      0.00000
      6       9.8746      0.00000
      7      10.8099      0.00000
      8      12.5680      0.00000
      9      15.5117      0.00000
     10      16.9114      0.00000
     11      18.1490      0.00000
     12      18.7218      0.00000
     13      20.3890      0.00000
     14      21.0436      0.00000
     15      22.6666      0.00000
     16      24.4817      0.00000

 k-point   201 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7334      2.00000
      3       3.4481      2.00000
      4       4.1899      2.00000
      5       7.8248      0.00000
      6       9.3674      0.00000
      7      11.1293      0.00000
      8      12.1859      0.00000
      9      14.6874      0.00000
     10      16.2442      0.00000
     11      17.7172      0.00000
     12      18.6682      0.00000
     13      20.0460      0.00000
     14      21.5277      0.00000
     15      21.6191      0.00000
     16      23.8917      0.00000

 k-point   202 :       0.0000    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.4985      2.00000
      2       1.1385      2.00000
      3       3.7674      2.00000
      4       4.2174      2.00000
      5       7.9675      0.00000
      6      10.0591      0.00000
      7      10.8012      0.00000
      8      11.3992      0.00000
      9      15.6818      0.00000
     10      16.0653      0.00000
     11      16.7414      0.00000
     12      19.5523      0.00000
     13      19.6532      0.00000
     14      21.3714      0.00000
     15      22.2953      0.00000
     16      23.5653      0.00000

 k-point   203 :       0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6455      2.00000
      3       3.6568      2.00000
      4       4.9192      2.00000
      5       8.7728      0.00000
      6       9.6773      0.00000
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      8      10.9903      0.00000
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     10      16.1816      0.00000
     11      16.5619      0.00000
     12      18.4649      0.00000
     13      20.0553      0.00000
     14      21.5767      0.00000
     15      22.2163      0.00000
     16      24.4018      0.00000

 k-point   204 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2      -0.7877      2.00000
      3       1.8787      2.00000
      4       3.0430      2.00000
      5       9.4085      0.00000
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     10      16.8736      0.00000
     11      18.7388      0.00000
     12      20.2503      0.00000
     13      21.8244      0.00000
     14      22.7058      0.00000
     15      23.2750      0.00000
     16      25.1382      0.00000

 k-point   205 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0576      2.00000
      3       2.1812      2.00000
      4       3.3807      2.00000
      5       9.1307      0.00000
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     10      15.7255      0.00000
     11      19.7523      0.00000
     12      20.2981      0.00000
     13      20.4487      0.00000
     14      20.8663      0.00000
     15      23.0436      0.00000
     16      24.3470      0.00000

 k-point   206 :      -0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.9904      2.00000
      2       0.6047      2.00000
      3       2.8888      2.00000
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     10      16.9525      0.00000
     11      18.2172      0.00000
     12      18.6828      0.00000
     13      20.4314      0.00000
     14      21.0216      0.00000
     15      22.6083      0.00000
     16      24.4937      0.00000

 k-point   207 :       0.0000    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.8144      2.00000
      2      -0.1178      2.00000
      3       3.2884      2.00000
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     10      17.0377      0.00000
     11      17.9098      0.00000
     12      17.9864      0.00000
     13      19.0619      0.00000
     14      22.3007      0.00000
     15      23.9655      0.00000
     16      24.1084      0.00000

 k-point   208 :       0.0909    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2762      2.00000
      3       3.4093      2.00000
      4       4.5692      2.00000
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     10      16.0411      0.00000
     11      18.0030      0.00000
     12      18.1438      0.00000
     13      20.4896      0.00000
     14      21.4893      0.00000
     15      22.9882      0.00000
     16      24.0089      0.00000

 k-point   209 :       0.1818    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2879      2.00000
      2       0.7301      2.00000
      3       2.8562      2.00000
      4       4.9512      2.00000
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     10      16.3739      0.00000
     11      18.1612      0.00000
     12      18.3208      0.00000
     13      20.0842      0.00000
     14      22.1578      0.00000
     15      22.8283      0.00000
     16      23.9759      0.00000

 k-point   210 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2299      2.00000
      2       0.9460      2.00000
      3       2.6003      2.00000
      4       4.5306      2.00000
      5       9.3815      0.00000
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     10      16.6902      0.00000
     11      18.2949      0.00000
     12      18.6476      0.00000
     13      19.7437      0.00000
     14      22.0922      0.00000
     15      22.4616      0.00000
     16      25.0713      0.00000

 k-point   211 :      -0.1818   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6957      2.00000
      2      -0.7635      2.00000
      3       1.9075      2.00000
      4       3.0569      2.00000
      5       9.5852      0.00000
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     10      16.8883      0.00000
     11      18.9010      0.00000
     12      20.2389      0.00000
     13      21.7090      0.00000
     14      22.7185      0.00000
     15      23.2152      0.00000
     16      24.7491      0.00000

 k-point   212 :      -0.0909   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.3167      2.00000
      2      -0.4226      2.00000
      3       2.5029      2.00000
      4       3.7379      2.00000
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     10      16.9116      0.00000
     11      18.0013      0.00000
     12      19.2523      0.00000
     13      20.2077      0.00000
     14      22.6065      0.00000
     15      23.9608      0.00000
     16      24.7820      0.00000

 k-point   213 :      -0.0000   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3410      2.00000
      2      -0.8182      2.00000
      3       2.9366      2.00000
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     10      15.7198      0.00000
     11      17.7285      0.00000
     12      19.0356      0.00000
     13      19.9434      0.00000
     14      21.7939      0.00000
     15      24.9728      0.00000
     16      25.2356      0.00000

 k-point   214 :       0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.5331      2.00000
      2      -0.7075      2.00000
      3       3.3052      2.00000
      4       4.3490      2.00000
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     10      16.0551      0.00000
     11      17.4160      0.00000
     12      18.8752      0.00000
     13      19.9042      0.00000
     14      21.4042      0.00000
     15      23.9404      0.00000
     16      25.7308      0.00000

 k-point   215 :       0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.6139      2.00000
      2      -0.4031      2.00000
      3       2.7807      2.00000
      4       4.5596      2.00000
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     10      14.9043      0.00000
     11      17.6004      0.00000
     12      20.2356      0.00000
     13      20.8772      0.00000
     14      21.3356      0.00000
     15      22.6664      0.00000
     16      25.0127      0.00000

 k-point   216 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5499      2.00000
      2      -0.0574      2.00000
      3       2.2230      2.00000
      4       4.1190      2.00000
      5       8.9272      0.00000
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     10      14.9917      0.00000
     11      18.6686      0.00000
     12      20.4553      0.00000
     13      20.6638      0.00000
     14      21.2678      0.00000
     15      23.8853      0.00000
     16      24.3059      0.00000

 k-point   217 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3218      2.00000
      2      -0.0574      2.00000
      3       2.1788      2.00000
      4       3.3831      2.00000
      5       9.1495      0.00000
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     10      15.7369      0.00000
     11      19.7407      0.00000
     12      20.1932      0.00000
     13      20.5153      0.00000
     14      20.8942      0.00000
     15      23.0587      0.00000
     16      24.3562      0.00000

 k-point   218 :      -0.2727   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -2.3065      2.00000
      2      -1.0663      2.00000
      3       2.1322      2.00000
      4       2.5026      2.00000
      5       9.0627      0.00000
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      7      11.8980      0.00000
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     10      17.3585      0.00000
     11      18.7328      0.00000
     12      20.0320      0.00000
     13      21.8528      0.00000
     14      22.5454      0.00000
     15      23.2495      0.00000
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 k-point   219 :      -0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.7274      2.00000
      2      -0.7271      2.00000
      3       1.9002      2.00000
      4       3.0555      2.00000
      5       9.5324      0.00000
      6      10.0113      0.00000
      7      11.2554      0.00000
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     10      16.9685      0.00000
     11      18.8335      0.00000
     12      20.2416      0.00000
     13      21.7233      0.00000
     14      22.4898      0.00000
     15      23.2213      0.00000
     16      24.9707      0.00000

 k-point   220 :      -0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.0696      2.00000
      2      -0.7492      2.00000
      3       2.2558      2.00000
      4       3.8296      2.00000
      5       8.6219      0.00000
      6      10.1512      0.00000
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      9      13.4509      0.00000
     10      16.2915      0.00000
     11      18.3818      0.00000
     12      19.3300      0.00000
     13      22.0438      0.00000
     14      22.2044      0.00000
     15      23.5759      0.00000
     16      24.5464      0.00000

 k-point   221 :      -0.0000   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.6397      2.00000
      2      -0.3820      2.00000
      3       2.7607      2.00000
      4       4.5861      2.00000
      5       8.4134      0.00000
      6      10.4785      0.00000
      7      10.6343      0.00000
      8      13.9657      0.00000
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     10      14.6496      0.00000
     11      17.5250      0.00000
     12      19.9140      0.00000
     13      21.0483      0.00000
     14      21.3858      0.00000
     15      22.7495      0.00000
     16      24.9765      0.00000

 k-point   222 :       0.0909    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.5453      2.00000
      2      -0.6893      2.00000
      3       3.2884      2.00000
      4       4.3463      2.00000
      5       8.8758      0.00000
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      7      10.8838      0.00000
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      9      14.7631      0.00000
     10      16.0555      0.00000
     11      17.4018      0.00000
     12      18.8155      0.00000
     13      19.6193      0.00000
     14      21.7182      0.00000
     15      23.9745      0.00000
     16      25.7189      0.00000

 k-point   223 :       0.1818    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3365      2.00000
      2      -0.8061      2.00000
      3       2.9322      2.00000
      4       4.2757      2.00000
      5       8.1095      0.00000
      6      10.5293      0.00000
      7      10.8013      0.00000
      8      13.1112      0.00000
      9      15.2359      0.00000
     10      15.6195      0.00000
     11      17.7213      0.00000
     12      18.9092      0.00000
     13      19.8314      0.00000
     14      22.1446      0.00000
     15      24.9209      0.00000
     16      25.2134      0.00000

 k-point   224 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.0464      2.00000
      2      -0.7505      2.00000
      3       2.2313      2.00000
      4       3.8277      2.00000
      5       8.5453      0.00000
      6      10.0943      0.00000
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     10      16.0573      0.00000
     11      18.3575      0.00000
     12      19.2000      0.00000
     13      22.0961      0.00000
     14      22.5366      0.00000
     15      23.5278      0.00000
     16      24.6889      0.00000

 k-point   225 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6861      2.00000
      2      -0.7561      2.00000
      3       1.8733      2.00000
      4       3.0741      2.00000
      5       9.4972      0.00000
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     10      16.7474      0.00000
     11      18.6455      0.00000
     12      20.3914      0.00000
     13      21.8219      0.00000
     14      22.7394      0.00000
     15      23.2359      0.00000
     16      24.9792      0.00000

 k-point   226 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.2504      2.00000
      2      -1.1244      2.00000
      3       2.1248      2.00000
      4       2.5161      2.00000
      5       9.0566      0.00000
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     10      17.3274      0.00000
     11      18.6995      0.00000
     12      20.0752      0.00000
     13      21.8515      0.00000
     14      22.7090      0.00000
     15      23.2455      0.00000
     16      24.5271      0.00000

 k-point   227 :      -0.1818   -0.3636   -0.8182
  band No.  band energies     occupation 
      1      -3.3687      2.00000
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 k-point   228 :      -0.0909   -0.3636    0.1818
  band No.  band energies     occupation 
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 k-point   229 :      -0.0000   -0.2727    0.1818
  band No.  band energies     occupation 
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     10      16.1698      0.00000
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 k-point   230 :       0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
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 k-point   231 :       0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
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     14      22.3167      0.00000
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 k-point   232 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
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 k-point   233 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
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 k-point   234 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
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     13      21.8877      0.00000
     14      22.9500      0.00000
     15      24.4878      0.00000
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 k-point   235 :      -0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2654      2.00000
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     14      21.9229      0.00000
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     16      25.1090      0.00000

 k-point   236 :      -0.0000   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9338      2.00000
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 k-point   237 :       0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.8266      2.00000
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 k-point   238 :       0.1818   -0.1818    0.1818
  band No.  band energies     occupation 
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 k-point   239 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
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 k-point   240 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
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 k-point   241 :      -0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
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 k-point   242 :       0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
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 k-point   243 :       0.0909   -0.0909    0.1818
  band No.  band energies     occupation 
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 k-point   244 :       0.1818   -0.0909    0.1818
  band No.  band energies     occupation 
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 k-point   245 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
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 k-point   246 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.9712      2.00000
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 k-point   247 :      -0.5455   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.2608      2.00000
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 k-point   248 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -2.9761      2.00000
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     15      23.6940      0.00000
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 k-point   249 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5217      2.00000
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     15      23.7916      0.00000
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 k-point   250 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7467      2.00000
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      3       3.9640      2.00000
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     14      20.2660      0.00000
     15      23.1985      0.00000
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 k-point   251 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2111      2.00000
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      3       3.4386      2.00000
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 k-point   252 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5205      2.00000
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 k-point   253 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8703      2.00000
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      3       2.0847      2.00000
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 k-point   254 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9454      2.00000
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     10      14.1576      0.00000
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 k-point   255 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6212      2.00000
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      3       1.9458      2.00000
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     10      14.9001      0.00000
     11      19.2491      0.00000
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     14      22.9918      0.00000
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 k-point   256 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.5975      2.00000
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     10      16.3924      0.00000
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 k-point   257 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.9509      2.00000
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     11      18.3798      0.00000
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 k-point   258 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.2413      2.00000
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 k-point   259 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9695      2.00000
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 k-point   260 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.5230      2.00000
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      3       2.1941      2.00000
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     10      14.9634      0.00000
     11      18.5453      0.00000
     12      20.3911      0.00000
     13      20.8202      0.00000
     14      21.4060      0.00000
     15      24.0625      0.00000
     16      24.2960      0.00000

 k-point   261 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2303      2.00000
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     10      16.6943      0.00000
     11      18.2963      0.00000
     12      18.6493      0.00000
     13      19.7424      0.00000
     14      22.0911      0.00000
     15      22.4806      0.00000
     16      25.0876      0.00000

 k-point   262 :       0.4545    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.1942      2.00000
      2       0.9187      2.00000
      3       2.6214      2.00000
      4       4.5142      2.00000
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     10      16.8873      0.00000
     11      18.4976      0.00000
     12      18.6673      0.00000
     13      19.8337      0.00000
     14      22.2584      0.00000
     15      22.4948      0.00000
     16      25.1108      0.00000

 k-point   263 :       0.5455    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.4838      2.00000
      2      -0.0958      2.00000
      3       2.2231      2.00000
      4       4.0757      2.00000
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     10      15.1938      0.00000
     11      18.6092      0.00000
     12      20.6769      0.00000
     13      20.8572      0.00000
     14      21.3751      0.00000
     15      23.8640      0.00000
     16      24.2230      0.00000

 k-point   264 :       0.6364    0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.9531      2.00000
      2      -0.8055      2.00000
      3       2.2228      2.00000
      4       3.7630      2.00000
      5       8.4669      0.00000
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     10      16.1219      0.00000
     11      18.3741      0.00000
     12      19.3007      0.00000
     13      21.9697      0.00000
     14      22.6851      0.00000
     15      23.6746      0.00000
     16      24.7166      0.00000

 k-point   265 :       0.7273    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4032      2.00000
      3       2.4479      2.00000
      4       3.6682      2.00000
      5       8.2436      0.00000
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      9      15.1872      0.00000
     10      16.8571      0.00000
     11      17.9075      0.00000
     12      19.2306      0.00000
     13      20.0936      0.00000
     14      22.7699      0.00000
     15      24.3794      0.00000
     16      24.9036      0.00000

 k-point   266 :      -0.1818    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6512      2.00000
      3       2.8396      2.00000
      4       3.8368      2.00000
      5       8.1306      0.00000
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     10      16.9125      0.00000
     11      18.1508      0.00000
     12      18.7213      0.00000
     13      20.3871      0.00000
     14      21.0419      0.00000
     15      22.6658      0.00000
     16      24.4809      0.00000

 k-point   267 :      -0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7333      2.00000
      3       3.4477      2.00000
      4       4.1902      2.00000
      5       7.8250      0.00000
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     10      16.2460      0.00000
     11      17.7169      0.00000
     12      18.6673      0.00000
     13      20.0461      0.00000
     14      21.5276      0.00000
     15      21.6197      0.00000
     16      23.8912      0.00000

 k-point   268 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.7471      2.00000
      2       2.1339      2.00000
      3       3.8918      2.00000
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     10      15.2658      0.00000
     11      18.1446      0.00000
     12      19.4147      0.00000
     13      19.4751      0.00000
     14      20.2504      0.00000
     15      23.2497      0.00000
     16      23.2579      0.00000

 k-point   269 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5676      2.00000
      2       0.1000      2.00000
      3       1.9564      2.00000
      4       4.4345      2.00000
      5       8.2142      0.00000
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     10      15.1343      0.00000
     11      19.3060      0.00000
     12      19.9832      0.00000
     13      20.8203      0.00000
     14      23.0279      0.00000
     15      23.3037      0.00000
     16      24.0136      0.00000

 k-point   270 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.8995      2.00000
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      3       1.7823      2.00000
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     10      13.9772      0.00000
     11      19.3191      0.00000
     12      21.3824      0.00000
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     14      22.3262      0.00000
     15      23.1397      0.00000
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 k-point   271 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.8706      2.00000
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     11      19.3474      0.00000
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     15      24.0458      0.00000
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 k-point   272 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5344      2.00000
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     10      17.3691      0.00000
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     14      21.9664      0.00000
     15      22.9951      0.00000
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 k-point   273 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
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     13      20.0150      0.00000
     14      21.0601      0.00000
     15      22.0233      0.00000
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 k-point   274 :       0.0000    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.2245      2.00000
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     10      16.3258      0.00000
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     14      21.0197      0.00000
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 k-point   275 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.7858      2.00000
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     10      14.8617      0.00000
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 k-point   276 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.3993      2.00000
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      3       1.7585      2.00000
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     10      16.2691      0.00000
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 k-point   277 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9325      2.00000
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      3       2.3084      2.00000
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     10      17.4170      0.00000
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     14      21.4600      0.00000
     15      23.3562      0.00000
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 k-point   278 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.6438      2.00000
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     10      17.4951      0.00000
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     14      21.0187      0.00000
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 k-point   279 :       0.0000    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.5583      2.00000
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     10      17.4393      0.00000
     11      17.8830      0.00000
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     15      23.0057      0.00000
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 k-point   280 :       0.0909    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.9903      2.00000
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     11      18.2191      0.00000
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 k-point   281 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -1.9685      2.00000
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      3       1.8349      2.00000
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     10      16.9132      0.00000
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     15      24.5488      0.00000
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 k-point   282 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2      -1.1209      2.00000
      3       2.1245      2.00000
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     10      17.3283      0.00000
     11      18.7037      0.00000
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     14      22.7199      0.00000
     15      23.2358      0.00000
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 k-point   283 :      -0.0909   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.9587      2.00000
      2      -0.4966      2.00000
      3       2.2849      2.00000
      4       3.2248      2.00000
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     10      17.4301      0.00000
     11      18.3594      0.00000
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     14      21.3673      0.00000
     15      23.3553      0.00000
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 k-point   284 :       0.0000   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.9525      2.00000
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      3       2.0870      2.00000
      4       3.8499      2.00000
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     10      15.8149      0.00000
     11      19.3032      0.00000
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     13      20.1979      0.00000
     14      23.8422      0.00000
     15      23.8793      0.00000
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 k-point   285 :       0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.3167      2.00000
      2      -0.4228      2.00000
      3       2.5026      2.00000
      4       3.7380      2.00000
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     10      16.9104      0.00000
     11      17.9992      0.00000
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     14      22.6044      0.00000
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 k-point   286 :       0.1818    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.5497      2.00000
      2      -0.0724      2.00000
      3       2.2492      2.00000
      4       4.1062      2.00000
      5       8.9384      0.00000
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     10      14.9909      0.00000
     11      18.6264      0.00000
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     14      21.3466      0.00000
     15      23.6440      0.00000
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 k-point   287 :      -0.1818   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.1144      2.00000
      2      -1.2309      2.00000
      3       1.8315      2.00000
      4       2.5703      2.00000
      5       9.5207      0.00000
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     10      17.0194      0.00000
     11      19.0616      0.00000
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     15      24.4517      0.00000
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 k-point   288 :      -0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.5158      2.00000
      2      -0.9739      2.00000
      3       1.7567      2.00000
      4       3.3453      2.00000
      5       8.1090      0.00000
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     10      16.4081      0.00000
     11      19.3922      0.00000
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     13      21.9384      0.00000
     14      22.3462      0.00000
     15      23.4573      0.00000
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 k-point   289 :       0.0000   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.0327      2.00000
      2      -0.6087      2.00000
      3       1.7867      2.00000
      4       4.1226      2.00000
      5       7.8664      0.00000
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     10      14.1139      0.00000
     11      19.2409      0.00000
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     14      22.2216      0.00000
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 k-point   290 :       0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.0697      2.00000
      2      -0.7493      2.00000
      3       2.2557      2.00000
      4       3.8294      2.00000
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     10      16.2895      0.00000
     11      18.3809      0.00000
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     13      22.0453      0.00000
     14      22.2048      0.00000
     15      23.5751      0.00000
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 k-point   291 :       0.1818    0.6364    0.2727
  band No.  band energies     occupation 
      1      -3.0540      2.00000
      2      -0.7565      2.00000
      3       2.2657      2.00000
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     10      16.2350      0.00000
     11      18.4524      0.00000
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     14      22.5100      0.00000
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 k-point   292 :       0.2727    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9885      2.00000
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      3       1.7909      2.00000
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     10      14.0036      0.00000
     11      19.3800      0.00000
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     14      22.2279      0.00000
     15      22.9948      0.00000
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 k-point   293 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.8540      2.00000
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      3       1.6497      2.00000
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     10      14.9795      0.00000
     11      20.3474      0.00000
     12      20.7506      0.00000
     13      21.0355      0.00000
     14      22.8701      0.00000
     15      22.9677      0.00000
     16      24.0327      0.00000

 k-point   294 :      -0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9206      2.00000
      2      -0.5528      2.00000
      3       1.6482      2.00000
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      9      13.8003      0.00000
     10      15.0585      0.00000
     11      20.3341      0.00000
     12      20.8685      0.00000
     13      20.8771      0.00000
     14      22.6647      0.00000
     15      22.9115      0.00000
     16      24.0983      0.00000

 k-point   295 :       0.0000   -0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6735      2.00000
      2       0.1686      2.00000
      3       1.9354      2.00000
      4       4.5238      2.00000
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     10      14.6657      0.00000
     11      19.2109      0.00000
     12      19.8998      0.00000
     13      20.3599      0.00000
     14      22.9837      0.00000
     15      23.5016      0.00000
     16      23.6389      0.00000

 k-point   296 :       0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5872      2.00000
      2      -0.0306      2.00000
      3       2.2196      2.00000
      4       4.1273      2.00000
      5       8.9940      0.00000
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     10      14.8193      0.00000
     11      18.5618      0.00000
     12      20.2092      0.00000
     13      20.8094      0.00000
     14      21.3613      0.00000
     15      23.8063      0.00000
     16      24.1522      0.00000

 k-point   297 :       0.1818    0.7273    0.2727
  band No.  band energies     occupation 
      1      -3.3367      2.00000
      2      -0.3796      2.00000
      3       2.4879      2.00000
      4       3.7000      2.00000
      5       8.3605      0.00000
      6      10.4528      0.00000
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      9      15.0237      0.00000
     10      16.9834      0.00000
     11      17.9831      0.00000
     12      19.2525      0.00000
     13      19.9257      0.00000
     14      22.6305      0.00000
     15      24.2011      0.00000
     16      24.7687      0.00000

 k-point   298 :       0.2727    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.9502      2.00000
      2      -0.6898      2.00000
      3       2.0759      2.00000
      4       3.7931      2.00000
      5       7.5115      0.00000
      6      10.8526      0.00000
      7      12.2724      0.00000
      8      12.4503      0.00000
      9      15.5518      0.00000
     10      15.7571      0.00000
     11      19.2669      0.00000
     12      19.4452      0.00000
     13      20.0914      0.00000
     14      23.8707      0.00000
     15      23.9724      0.00000
     16      24.4870      0.00000

 k-point   299 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.4820      2.00000
      2      -0.9812      2.00000
      3       1.7450      2.00000
      4       3.3140      2.00000
      5       8.0155      0.00000
      6      10.7419      0.00000
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      9      14.3814      0.00000
     10      16.1819      0.00000
     11      19.1930      0.00000
     12      20.6890      0.00000
     13      22.1187      0.00000
     14      22.3714      0.00000
     15      23.3598      0.00000
     16      24.5154      0.00000

 k-point   300 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.0420      2.00000
      2      -1.2946      2.00000
      3       1.8335      2.00000
      4       2.5547      2.00000
      5       9.4055      0.00000
      6      10.6814      0.00000
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      8      11.5451      0.00000
      9      15.8493      0.00000
     10      16.9759      0.00000
     11      19.0134      0.00000
     12      20.2512      0.00000
     13      21.8864      0.00000
     14      22.9504      0.00000
     15      24.4894      0.00000
     16      24.5706      0.00000

 k-point   301 :       0.0909   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.2655      2.00000
      2       0.9716      2.00000
      3       2.5810      2.00000
      4       4.5453      2.00000
      5       9.4572      0.00000
      6       9.5468      0.00000
      7      10.8393      0.00000
      8      11.9370      0.00000
      9      13.8157      0.00000
     10      16.4953      0.00000
     11      18.1011      0.00000
     12      18.6349      0.00000
     13      19.6513      0.00000
     14      21.9224      0.00000
     15      22.4545      0.00000
     16      25.1100      0.00000

 k-point   302 :       0.1818   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.0140      2.00000
      2       0.6570      2.00000
      3       2.8554      2.00000
      4       3.8555      2.00000
      5       8.2322      0.00000
      6       9.8342      0.00000
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      8      12.6174      0.00000
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     10      16.7714      0.00000
     11      17.9984      0.00000
     12      18.6722      0.00000
     13      20.3661      0.00000
     14      21.0032      0.00000
     15      22.5203      0.00000
     16      24.4509      0.00000

 k-point   303 :       0.2727   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5702      2.00000
      2       0.1310      2.00000
      3       2.6483      2.00000
      4       3.6764      2.00000
      5       7.3734      0.00000
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      9      17.2139      0.00000
     10      17.3949      0.00000
     11      17.7769      0.00000
     12      18.1949      0.00000
     13      19.9451      0.00000
     14      21.8826      0.00000
     15      22.9697      0.00000
     16      24.7678      0.00000

 k-point   304 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.9590      2.00000
      2      -0.4742      2.00000
      3       2.2734      2.00000
      4       3.2011      2.00000
      5       7.7891      0.00000
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     10      17.2964      0.00000
     11      18.1461      0.00000
     12      20.2477      0.00000
     13      20.9085      0.00000
     14      21.4239      0.00000
     15      23.3637      0.00000
     16      23.8824      0.00000

 k-point   305 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.2508      2.00000
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      3       2.1253      2.00000
      4       2.5162      2.00000
      5       9.0576      0.00000
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     10      17.3275      0.00000
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     12      20.0761      0.00000
     13      21.8513      0.00000
     14      22.7072      0.00000
     15      23.2439      0.00000
     16      24.5264      0.00000

 k-point   306 :       0.1818   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.6332      2.00000
      2       1.7565      2.00000
      3       3.4242      2.00000
      4       4.1780      2.00000
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     10      16.1125      0.00000
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     12      18.7068      0.00000
     13      19.9113      0.00000
     14      21.4298      0.00000
     15      21.4304      0.00000
     16      23.8701      0.00000

 k-point   307 :       0.2727   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2322      2.00000
      2       1.1758      2.00000
      3       3.3877      2.00000
      4       3.7345      2.00000
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     10      16.2747      0.00000
     11      18.3458      0.00000
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     13      20.0160      0.00000
     14      20.9933      0.00000
     15      22.0117      0.00000
     16      22.9709      0.00000

 k-point   308 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6429      2.00000
      2       0.3479      2.00000
      3       2.9597      2.00000
      4       3.3636      2.00000
      5       7.4558      0.00000
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     10      17.4916      0.00000
     11      18.1520      0.00000
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     13      20.3589      0.00000
     14      21.0493      0.00000
     15      22.4789      0.00000
     16      23.1289      0.00000

 k-point   309 :      -0.5455   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9289      2.00000
      2      -0.5116      2.00000
      3       2.3207      2.00000
      4       3.1556      2.00000
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     10      17.5522      0.00000
     11      18.4780      0.00000
     12      20.1116      0.00000
     13      20.6203      0.00000
     14      21.4062      0.00000
     15      23.3591      0.00000
     16      24.0432      0.00000

 k-point   310 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.4309      2.00000
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      3       1.7705      2.00000
      4       3.2843      2.00000
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     10      16.4955      0.00000
     11      19.5574      0.00000
     12      20.3657      0.00000
     13      21.7586      0.00000
     14      22.3632      0.00000
     15      23.6687      0.00000
     16      24.6342      0.00000

 k-point   311 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7557      2.00000
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      3       3.4480      2.00000
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     10      16.8413      0.00000
     11      19.3763      0.00000
     12      19.3954      0.00000
     13      19.8195      0.00000
     14      21.6603      0.00000
     15      21.9123      0.00000
     16      22.9440      0.00000

 k-point   312 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1055      2.00000
      2      -0.3624      2.00000
      3       2.9098      2.00000
      4       3.3386      2.00000
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     10      17.8985      0.00000
     11      18.0728      0.00000
     12      18.4550      0.00000
     13      20.8195      0.00000
     14      21.2361      0.00000
     15      21.8644      0.00000
     16      24.1055      0.00000

 k-point   313 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3957      2.00000
      2      -1.1106      2.00000
      3       2.0968      2.00000
      4       3.4140      2.00000
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     10      16.1607      0.00000
     11      19.5267      0.00000
     12      20.2015      0.00000
     13      21.3769      0.00000
     14      21.5344      0.00000
     15      22.3017      0.00000
     16      24.5600      0.00000

 k-point   314 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3529      2.00000
      2      -1.1146      2.00000
      3       1.5855      2.00000
      4       3.6675      2.00000
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     10      14.3721      0.00000
     11      21.0781      0.00000
     12      21.3118      0.00000
     13      21.7210      0.00000
     14      21.9581      0.00000
     15      22.1572      0.00000
     16      23.8142      0.00000

 k-point   315 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6189      2.00000
      2       0.3144      2.00000
      3       2.9705      2.00000
      4       3.3838      2.00000
      5       7.4327      0.00000
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     10      17.6861      0.00000
     11      18.3426      0.00000
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     13      20.3988      0.00000
     14      20.9620      0.00000
     15      22.5218      0.00000
     16      23.0460      0.00000

 k-point   316 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9037      2.00000
      2      -0.5386      2.00000
      3       2.3012      2.00000
      4       3.1903      2.00000
      5       7.7789      0.00000
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     10      17.3475      0.00000
     11      18.3038      0.00000
     12      20.3706      0.00000
     13      20.7328      0.00000
     14      21.4136      0.00000
     15      23.2750      0.00000
     16      23.9446      0.00000

 k-point   317 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4173      2.00000
      2      -1.0462      2.00000
      3       1.7540      2.00000
      4       3.3015      2.00000
      5       8.0066      0.00000
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     10      16.3282      0.00000
     11      19.2922      0.00000
     12      20.4702      0.00000
     13      22.0421      0.00000
     14      22.5188      0.00000
     15      23.5925      0.00000
     16      24.4653      0.00000

 k-point   318 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.8550      2.00000
      2      -0.5988      2.00000
      3       1.6502      2.00000
      4       3.6307      2.00000
      5       8.4041      0.00000
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     10      14.9575      0.00000
     11      20.3695      0.00000
     12      20.8301      0.00000
     13      20.9526      0.00000
     14      22.8827      0.00000
     15      22.9143      0.00000
     16      24.0332      0.00000

 k-point   319 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.2746      2.00000
      2      -0.1045      2.00000
      3       2.1858      2.00000
      4       3.3843      2.00000
      5       9.1186      0.00000
      6       9.7130      0.00000
      7      10.3315      0.00000
      8      13.7938      0.00000
      9      15.3769      0.00000
     10      15.6165      0.00000
     11      19.7516      0.00000
     12      20.4581      0.00000
     13      20.4627      0.00000
     14      20.9101      0.00000
     15      23.0595      0.00000
     16      24.4644      0.00000

 k-point   320 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6067      2.00000
      2      -0.8279      2.00000
      3       1.8851      2.00000
      4       3.0453      2.00000
      5       9.4707      0.00000
      6       9.8104      0.00000
      7      11.1576      0.00000
      8      13.2985      0.00000
      9      14.2851      0.00000
     10      16.7925      0.00000
     11      18.8013      0.00000
     12      20.2445      0.00000
     13      21.8071      0.00000
     14      22.9385      0.00000
     15      23.2788      0.00000
     16      24.9065      0.00000

 k-point   321 :       0.7273    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2      -0.7880      2.00000
      3       1.8784      2.00000
      4       3.0431      2.00000
      5       9.4093      0.00000
      6       9.8776      0.00000
      7      11.3522      0.00000
      8      13.0979      0.00000
      9      14.2969      0.00000
     10      16.8721      0.00000
     11      18.7362      0.00000
     12      20.2485      0.00000
     13      21.8221      0.00000
     14      22.7073      0.00000
     15      23.2735      0.00000
     16      25.1380      0.00000

 k-point   322 :      -0.1818    0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0579      2.00000
      3       2.1808      2.00000
      4       3.3809      2.00000
      5       9.1312      0.00000
      6       9.7750      0.00000
      7      10.4543      0.00000
      8      13.8472      0.00000
      9      15.1512      0.00000
     10      15.7242      0.00000
     11      19.7500      0.00000
     12      20.2989      0.00000
     13      20.4467      0.00000
     14      20.8650      0.00000
     15      23.0412      0.00000
     16      24.3477      0.00000

 k-point   323 :       0.6364    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.7859      2.00000
      2      -0.6487      2.00000
      3       1.6519      2.00000
      4       3.5930      2.00000
      5       8.3229      0.00000
      6      11.1477      0.00000
      7      11.8798      0.00000
      8      12.9897      0.00000
      9      13.7943      0.00000
     10      14.8595      0.00000
     11      20.4315      0.00000
     12      20.8526      0.00000
     13      20.9357      0.00000
     14      22.9383      0.00000
     15      23.1367      0.00000
     16      23.9794      0.00000

 k-point   324 :       0.7273    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -1.0432      2.00000
      3       1.7585      2.00000
      4       3.2519      2.00000
      5       7.9294      0.00000
      6      10.8688      0.00000
      7      11.8629      0.00000
      8      13.4523      0.00000
      9      14.2300      0.00000
     10      16.2666      0.00000
     11      19.3588      0.00000
     12      20.5744      0.00000
     13      21.9251      0.00000
     14      22.3947      0.00000
     15      23.5714      0.00000
     16      24.6306      0.00000

 k-point   325 :       0.8182    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9325      2.00000
      2      -0.4880      2.00000
      3       2.3082      2.00000
      4       3.1319      2.00000
      5       7.7118      0.00000
      6       9.2679      0.00000
      7      12.1567      0.00000
      8      14.3225      0.00000
      9      15.4846      0.00000
     10      17.4150      0.00000
     11      18.2713      0.00000
     12      20.1600      0.00000
     13      20.8078      0.00000
     14      21.4575      0.00000
     15      23.3571      0.00000
     16      23.9591      0.00000

 k-point   326 :      -0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.6438      2.00000
      2       0.3471      2.00000
      3       2.9557      2.00000
      4       3.3675      2.00000
      5       7.4467      0.00000
      6       8.3102      0.00000
      7      12.5334      0.00000
      8      13.9653      0.00000
      9      16.3366      0.00000
     10      17.4974      0.00000
     11      18.1576      0.00000
     12      19.4728      0.00000
     13      20.3925      0.00000
     14      21.0170      0.00000
     15      22.4692      0.00000
     16      23.1209      0.00000

 k-point   327 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.7565      2.00000
      2       0.4869      2.00000
      3       3.3696      2.00000
      4       3.5271      2.00000
      5       6.6609      0.00000
      6       7.6842      0.00000
      7      14.0019      0.00000
      8      14.0068      0.00000
      9      16.3976      0.00000
     10      16.8303      0.00000
     11      19.3741      0.00000
     12      19.4258      0.00000
     13      19.8189      0.00000
     14      21.6590      0.00000
     15      21.9281      0.00000
     16      22.9751      0.00000

 k-point   328 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.2733      2.00000
      2      -1.1690      2.00000
      3       1.5924      2.00000
      4       3.5997      2.00000
      5       7.2533      0.00000
      6      10.8316      0.00000
      7      13.3150      0.00000
      8      13.8961      0.00000
      9      14.1519      0.00000
     10      14.3167      0.00000
     11      21.1344      0.00000
     12      21.3438      0.00000
     13      21.7937      0.00000
     14      21.9411      0.00000
     15      22.0885      0.00000
     16      23.9238      0.00000

 k-point   329 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3983      2.00000
      2      -1.0864      2.00000
      3       2.1136      2.00000
      4       3.3419      2.00000
      5       6.9617      0.00000
      6       9.0592      0.00000
      7      14.0006      0.00000
      8      14.2043      0.00000
      9      15.9220      0.00000
     10      15.9589      0.00000
     11      19.5001      0.00000
     12      20.0618      0.00000
     13      21.6160      0.00000
     14      21.6272      0.00000
     15      22.4019      0.00000
     16      24.4630      0.00000

 k-point   330 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.1168      2.00000
      2      -0.3405      2.00000
      3       2.9510      2.00000
      4       3.2627      2.00000
      5       6.8163      0.00000
      6       7.7834      0.00000
      7      14.3156      0.00000
      8      14.3463      0.00000
      9      17.5874      0.00000
     10      17.8220      0.00000
     11      17.9752      0.00000
     12      18.3329      0.00000
     13      20.9339      0.00000
     14      21.3197      0.00000
     15      21.9960      0.00000
     16      23.9994      0.00000

 k-point   331 :       0.0000    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.1245      2.00000
      2      -0.3468      2.00000
      3       2.8374      2.00000
      4       3.4202      2.00000
      5       6.9190      0.00000
      6       7.6381      0.00000
      7      14.3210      0.00000
      8      14.3752      0.00000
      9      17.5914      0.00000
     10      17.8344      0.00000
     11      17.9467      0.00000
     12      18.4251      0.00000
     13      20.8724      0.00000
     14      21.2915      0.00000
     15      21.9193      0.00000
     16      24.1739      0.00000

 k-point   332 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.8489      2.00000
      2      -1.6052      2.00000
      3       2.1047      2.00000
      4       2.9079      2.00000
      5       7.5617      0.00000
      6       9.0711      0.00000
      7      13.6232      0.00000
      8      13.8165      0.00000
      9      15.9226      0.00000
     10      16.5180      0.00000
     11      19.2510      0.00000
     12      20.1212      0.00000
     13      21.8141      0.00000
     14      22.6250      0.00000
     15      23.0282      0.00000
     16      23.3907      0.00000

 k-point   333 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0818      2.00000
      3       2.7414      2.00000
      4       2.9115      2.00000
      5       7.3421      0.00000
      6       7.6784      0.00000
      7      14.0864      0.00000
      8      15.6007      0.00000
      9      16.0410      0.00000
     10      17.5973      0.00000
     11      18.3067      0.00000
     12      19.8395      0.00000
     13      20.1285      0.00000
     14      21.6988      0.00000
     15      22.8300      0.00000
     16      24.3154      0.00000

 k-point   334 :       0.0000   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.4578      2.00000
      2      -1.0642      2.00000
      3       2.0613      2.00000
      4       3.4919      2.00000
      5       7.1187      0.00000
      6       8.7922      0.00000
      7      14.0376      0.00000
      8      14.2685      0.00000
      9      15.9580      0.00000
     10      16.0561      0.00000
     11      19.4858      0.00000
     12      20.1620      0.00000
     13      21.4636      0.00000
     14      21.5765      0.00000
     15      22.2776      0.00000
     16      24.3403      0.00000

 k-point   335 :       0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4967      2.00000
      3       2.2848      2.00000
      4       3.2247      2.00000
      5       7.8861      0.00000
      6       9.0240      0.00000
      7      12.1826      0.00000
      8      14.3644      0.00000
      9      15.5161      0.00000
     10      17.4281      0.00000
     11      18.3567      0.00000
     12      20.2204      0.00000
     13      20.7221      0.00000
     14      21.3648      0.00000
     15      23.3564      0.00000
     16      23.9550      0.00000

 k-point   336 :      -0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.9957      2.00000
      2      -1.4823      2.00000
      3       2.0498      2.00000
      4       3.0186      2.00000
      5       7.7601      0.00000
      6       8.8044      0.00000
      7      13.6174      0.00000
      8      13.8914      0.00000
      9      15.9463      0.00000
     10      16.6173      0.00000
     11      19.2948      0.00000
     12      20.0219      0.00000
     13      21.8564      0.00000
     14      22.4864      0.00000
     15      22.9303      0.00000
     16      23.3415      0.00000

 k-point   337 :      -0.0000   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4292      2.00000
      2      -1.0648      2.00000
      3       1.5786      2.00000
      4       3.7351      2.00000
      5       7.4011      0.00000
      6      10.5158      0.00000
      7      13.3865      0.00000
      8      13.9095      0.00000
      9      14.3486      0.00000
     10      14.4017      0.00000
     11      21.0779      0.00000
     12      21.3189      0.00000
     13      21.8439      0.00000
     14      21.8505      0.00000
     15      22.0685      0.00000
     16      23.7006      0.00000

 k-point   338 :       0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.5158      2.00000
      2      -0.9740      2.00000
      3       1.7567      2.00000
      4       3.3450      2.00000
      5       8.1096      0.00000
      6      10.5905      0.00000
      7      11.8807      0.00000
      8      13.5360      0.00000
      9      14.2903      0.00000
     10      16.4056      0.00000
     11      19.3902      0.00000
     12      20.4847      0.00000
     13      21.9369      0.00000
     14      22.3475      0.00000
     15      23.4566      0.00000
     16      24.5355      0.00000

 k-point   339 :       0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.6958      2.00000
      2      -0.7638      2.00000
      3       1.9072      2.00000
      4       3.0570      2.00000
      5       9.5861      0.00000
      6       9.9525      0.00000
      7      11.0628      0.00000
      8      13.1257      0.00000
      9      14.3402      0.00000
     10      16.8867      0.00000
     11      18.8984      0.00000
     12      20.2370      0.00000
     13      21.7063      0.00000
     14      22.7203      0.00000
     15      23.2140      0.00000
     16      24.7488      0.00000

 k-point   340 :       0.0909   -0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9207      2.00000
      2      -0.5528      2.00000
      3       1.6483      2.00000
      4       3.6693      2.00000
      5       8.4854      0.00000
      6      11.2138      0.00000
      7      12.0229      0.00000
      8      12.6759      0.00000
      9      13.7985      0.00000
     10      15.0564      0.00000
     11      20.3339      0.00000
     12      20.8664      0.00000
     13      20.8762      0.00000
     14      22.6648      0.00000
     15      22.9097      0.00000
     16      24.1007      0.00000

 k-point   341 :       0.1818    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.7276      2.00000
      2      -0.7273      2.00000
      3       1.9002      2.00000
      4       3.0554      2.00000
      5       9.5339      0.00000
      6      10.0126      0.00000
      7      11.2573      0.00000
      8      12.9191      0.00000
      9      14.3549      0.00000
     10      16.9664      0.00000
     11      18.8319      0.00000
     12      20.2400      0.00000
     13      21.7218      0.00000
     14      22.4899      0.00000
     15      23.2197      0.00000
     16      24.9724      0.00000

 k-point   342 :       0.2727    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.4971      2.00000
      2      -0.9706      2.00000
      3       1.7614      2.00000
      4       3.2950      2.00000
      5       8.0322      0.00000
      6      10.7510      0.00000
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      8      13.3113      0.00000
      9      14.2791      0.00000
     10      16.3413      0.00000
     11      19.4529      0.00000
     12      20.5911      0.00000
     13      21.7971      0.00000
     14      22.2362      0.00000
     15      23.4389      0.00000
     16      24.6879      0.00000

 k-point   343 :       0.1818   -0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.3690      2.00000
      2      -0.0122      2.00000
      3       2.1744      2.00000
      4       3.3790      2.00000
      5       9.1868      0.00000
      6       9.8028      0.00000
      7      10.5677      0.00000
      8      13.8968      0.00000
      9      14.9298      0.00000
     10      15.8275      0.00000
     11      19.7510      0.00000
     12      20.1095      0.00000
     13      20.4450      0.00000
     14      20.8376      0.00000
     15      23.0112      0.00000
     16      24.2298      0.00000

 k-point   344 :       0.2727    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.9839      2.00000
      2      -0.4476      2.00000
      3       2.2923      2.00000
      4       3.1656      2.00000
      5       7.8211      0.00000
      6       9.1747      0.00000
      7      12.3034      0.00000
      8      14.3572      0.00000
      9      15.3074      0.00000
     10      17.4905      0.00000
     11      18.3200      0.00000
     12      20.0002      0.00000
     13      20.8198      0.00000
     14      21.4001      0.00000
     15      23.4191      0.00000
     16      23.9497      0.00000

 k-point   345 :       0.3636    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.4544      2.00000
      2      -1.0442      2.00000
      3       2.0781      2.00000
      4       3.4201      2.00000
      5       7.0428      0.00000
      6       8.9386      0.00000
      7      14.0428      0.00000
      8      14.3583      0.00000
      9      15.7986      0.00000
     10      15.9731      0.00000
     11      19.4111      0.00000
     12      20.0582      0.00000
     13      21.6223      0.00000
     14      21.7448      0.00000
     15      22.3808      0.00000
     16      24.2455      0.00000

 k-point   346 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.9229      2.00000
      2      -1.5426      2.00000
      3       2.0775      2.00000
      4       2.9636      2.00000
      5       7.6603      0.00000
      6       8.9376      0.00000
      7      13.6178      0.00000
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      9      15.9019      0.00000
     10      16.5913      0.00000
     11      19.2457      0.00000
     12      20.1053      0.00000
     13      21.8385      0.00000
     14      22.5473      0.00000
     15      22.9259      0.00000
     16      23.4081      0.00000

 k-point   347 :       0.2727   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6667      2.00000
      2       0.3812      2.00000
      3       2.9525      2.00000
      4       3.3390      2.00000
      5       7.4809      0.00000
      6       8.3372      0.00000
      7      12.6470      0.00000
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      9      16.4052      0.00000
     10      17.3016      0.00000
     11      17.9803      0.00000
     12      19.4941      0.00000
     13      20.3872      0.00000
     14      21.0663      0.00000
     15      22.3993      0.00000
     16      23.2015      0.00000

 k-point   348 :       0.3636   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.1328      2.00000
      2      -0.3253      2.00000
      3       2.8785      2.00000
      4       3.3445      2.00000
      5       6.8749      0.00000
      6       7.7240      0.00000
      7      14.3256      0.00000
      8      14.4652      0.00000
      9      17.5418      0.00000
     10      17.7080      0.00000
     11      17.8970      0.00000
     12      18.3320      0.00000
     13      20.9491      0.00000
     14      21.3893      0.00000
     15      22.0599      0.00000
     16      24.0668      0.00000

 k-point   349 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4461      2.00000
      2      -1.0842      2.00000
      3       2.7642      2.00000
      4       2.8891      2.00000
      5       7.3766      0.00000
      6       7.6431      0.00000
      7      14.0834      0.00000
      8      15.5893      0.00000
      9      16.0362      0.00000
     10      17.5858      0.00000
     11      18.3097      0.00000
     12      19.8642      0.00000
     13      20.1204      0.00000
     14      21.6946      0.00000
     15      22.8144      0.00000
     16      24.3321      0.00000

 k-point   350 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5231      2.00000
      2      -1.0894      2.00000
      3       3.1846      2.00000
      4       3.1847      2.00000
      5       6.6148      0.00000
      6       6.9384      0.00000
      7      15.7358      0.00000
      8      15.7429      0.00000
      9      17.7366      0.00000
     10      17.7406      0.00000
     11      17.8574      0.00000
     12      18.6625      0.00000
     13      19.6091      0.00000
     14      19.9777      0.00000
     15      24.0142      0.00000
     16      24.9468      0.00000

 k-point   351 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.8623      2.00000
      2      -1.7464      2.00000
      3       2.7241      2.00000
      4       3.2107      2.00000
      5       6.7953      0.00000
      6       7.3975      0.00000
      7      15.6525      0.00000
      8      15.9917      0.00000
      9      16.3400      0.00000
     10      16.4706      0.00000
     11      19.2932      0.00000
     12      19.4286      0.00000
     13      19.8069      0.00000
     14      20.3286      0.00000
     15      24.0788      0.00000
     16      24.5203      0.00000

 k-point   352 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4162      2.00000
      2      -1.1183      2.00000
      3       2.7590      2.00000
      4       2.9060      2.00000
      5       7.3748      0.00000
      6       7.6243      0.00000
      7      13.9310      0.00000
      8      15.6940      0.00000
      9      16.1146      0.00000
     10      17.5836      0.00000
     11      18.2962      0.00000
     12      19.8531      0.00000
     13      20.3033      0.00000
     14      21.5159      0.00000
     15      22.6994      0.00000
     16      24.2551      0.00000

 k-point   353 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -1.9277      2.00000
      2      -1.5375      2.00000
      3       2.0770      2.00000
      4       2.9631      2.00000
      5       7.6610      0.00000
      6       8.9383      0.00000
      7      13.5264      0.00000
      8      13.9508      0.00000
      9      15.9298      0.00000
     10      16.5635      0.00000
     11      19.2664      0.00000
     12      20.0664      0.00000
     13      21.7861      0.00000
     14      22.5986      0.00000
     15      22.9648      0.00000
     16      23.3969      0.00000

 k-point   354 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.1940      2.00000
      2      -1.1829      2.00000
      3       2.1177      2.00000
      4       2.5275      2.00000
      5       9.0539      0.00000
      6       9.2350      0.00000
      7      11.5970      0.00000
      8      13.5496      0.00000
      9      15.8110      0.00000
     10      17.2906      0.00000
     11      18.6752      0.00000
     12      20.0844      0.00000
     13      21.8400      0.00000
     14      22.9283      0.00000
     15      23.2088      0.00000
     16      24.4387      0.00000

 k-point   355 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.0474      2.00000
      2      -1.2891      2.00000
      3       1.8332      2.00000
      4       2.5535      2.00000
      5       9.4071      0.00000
      6      10.6757      0.00000
      7      11.3945      0.00000
      8      11.6741      0.00000
      9      15.8654      0.00000
     10      16.9643      0.00000
     11      19.0214      0.00000
     12      20.2290      0.00000
     13      21.8998      0.00000
     14      22.9488      0.00000
     15      24.4192      0.00000
     16      24.6120      0.00000

 k-point   356 :       0.7273    0.2727    0.4545
  band No.  band energies     occupation 
      1      -1.9687      2.00000
      2      -1.3593      2.00000
      3       1.8349      2.00000
      4       2.5374      2.00000
      5       9.2913      0.00000
      6      10.7576      0.00000
      7      11.4718      0.00000
      8      11.6339      0.00000
      9      15.8415      0.00000
     10      16.9108      0.00000
     11      18.9939      0.00000
     12      20.2815      0.00000
     13      21.9352      0.00000
     14      22.9663      0.00000
     15      24.5488      0.00000
     16      24.5495      0.00000

 k-point   357 :      -0.1818    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.2549      2.00000
      2      -1.1211      2.00000
      3       2.1242      2.00000
      4       2.5162      2.00000
      5       8.9980      0.00000
      6       9.3193      0.00000
      7      11.7490      0.00000
      8      13.3614      0.00000
      9      15.8406      0.00000
     10      17.3261      0.00000
     11      18.7010      0.00000
     12      20.0623      0.00000
     13      21.8539      0.00000
     14      22.7220      0.00000
     15      23.2354      0.00000
     16      24.5192      0.00000

 k-point   358 :       0.8182    0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.8490      2.00000
      2      -1.6053      2.00000
      3       2.1046      2.00000
      4       2.9077      2.00000
      5       7.5621      0.00000
      6       9.0715      0.00000
      7      13.6256      0.00000
      8      13.8190      0.00000
      9      15.9202      0.00000
     10      16.5153      0.00000
     11      19.2484      0.00000
     12      20.1186      0.00000
     13      21.8167      0.00000
     14      22.6276      0.00000
     15      23.0279      0.00000
     16      23.3899      0.00000

 k-point   359 :      -0.0909    0.3636   -0.5455
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0819      2.00000
      3       2.7413      2.00000
      4       2.9115      2.00000
      5       7.3424      0.00000
      6       7.6786      0.00000
      7      14.0889      0.00000
      8      15.6006      0.00000
      9      16.0412      0.00000
     10      17.5947      0.00000
     11      18.3042      0.00000
     12      19.8368      0.00000
     13      20.1307      0.00000
     14      21.7018      0.00000
     15      22.8294      0.00000
     16      24.3141      0.00000

 k-point   360 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.5260      2.00000
      2      -1.0875      2.00000
      3       3.1033      2.00000
      4       3.2658      2.00000
      5       6.5941      0.00000
      6       6.9599      0.00000
      7      15.7272      0.00000
      8      15.7730      0.00000
      9      17.7333      0.00000
     10      17.7768      0.00000
     11      17.8444      0.00000
     12      18.6453      0.00000
     13      19.6021      0.00000
     14      19.9759      0.00000
     15      24.0490      0.00000
     16      24.8295      0.00000

 k-point   361 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.8106      2.00000
      2      -1.7943      2.00000
      3       2.7853      2.00000
      4       3.1304      2.00000
      5       6.7106      0.00000
      6       7.5031      0.00000
      7      15.7077      0.00000
      8      15.9349      0.00000
      9      16.3425      0.00000
     10      16.4409      0.00000
     11      19.3628      0.00000
     12      19.4222      0.00000
     13      19.6953      0.00000
     14      20.4071      0.00000
     15      24.2398      0.00000
     16      24.4755      0.00000

 k-point   362 :       0.0000   -0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.9265      2.00000
      2      -1.6881      2.00000
      3       2.6628      2.00000
      4       3.2905      2.00000
      5       6.8808      0.00000
      6       7.2924      0.00000
      7      15.6762      0.00000
      8      16.0489      0.00000
      9      16.3396      0.00000
     10      16.4521      0.00000
     11      19.3130      0.00000
     12      19.4237      0.00000
     13      19.8689      0.00000
     14      20.2155      0.00000
     15      24.0492      0.00000
     16      24.4465      0.00000

 k-point   363 :       0.0909   -0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.9957      2.00000
      2      -1.4823      2.00000
      3       2.0497      2.00000
      4       3.0183      2.00000
      5       7.7605      0.00000
      6       8.8047      0.00000
      7      13.6198      0.00000
      8      13.8940      0.00000
      9      15.9439      0.00000
     10      16.6146      0.00000
     11      19.2922      0.00000
     12      20.0193      0.00000
     13      21.8588      0.00000
     14      22.4892      0.00000
     15      22.9303      0.00000
     16      23.3406      0.00000

 k-point   364 :       0.1818   -0.2727    0.4545
  band No.  band energies     occupation 
      1      -2.1146      2.00000
      2      -1.2311      2.00000
      3       1.8315      2.00000
      4       2.5700      2.00000
      5       9.5215      0.00000
      6      10.5915      0.00000
      7      11.4779      0.00000
      8      11.5579      0.00000
      9      15.8911      0.00000
     10      17.0170      0.00000
     11      19.0595      0.00000
     12      20.1711      0.00000
     13      21.8642      0.00000
     14      22.9267      0.00000
     15      24.4533      0.00000
     16      24.5404      0.00000

 k-point   365 :       0.2727   -0.1818   -0.5455
  band No.  band energies     occupation 
      1      -2.3069      2.00000
      2      -1.0667      2.00000
      3       2.1325      2.00000
      4       2.5026      2.00000
      5       9.0644      0.00000
      6       9.2829      0.00000
      7      11.8993      0.00000
      8      13.1705      0.00000
      9      15.8690      0.00000
     10      17.3564      0.00000
     11      18.7313      0.00000
     12      20.0300      0.00000
     13      21.8516      0.00000
     14      22.5455      0.00000
     15      23.2474      0.00000
     16      24.5585      0.00000

 k-point   366 :       0.3636   -0.0909   -0.5455
  band No.  band energies     occupation 
      1      -2.4758      2.00000
      2      -1.0499      2.00000
      3       2.7706      2.00000
      4       2.8699      2.00000
      5       7.3795      0.00000
      6       7.6622      0.00000
      7      14.2441      0.00000
      8      15.4520      0.00000
      9      16.0138      0.00000
     10      17.5969      0.00000
     11      18.3068      0.00000
     12      19.8403      0.00000
     13      19.9433      0.00000
     14      21.8779      0.00000
     15      22.9712      0.00000
     16      24.3614      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001   0.000  -0.001   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.176  -0.000   0.000  -0.005   0.000  -0.000
 -0.001  -0.000  -0.000   4.176  -0.000   0.000  -0.005   0.000
  0.000  -0.000   0.000  -0.000   4.176  -0.000   0.000  -0.005
 -0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000   0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
 -0.000   0.000  -0.000   0.000  -0.005   0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821   0.000   0.004   0.000   0.000  -0.012  -0.000
 -0.821   0.832   0.000  -0.012  -0.000  -0.000   0.016   0.000
  0.000   0.000   1.046  -0.000   0.011  -0.589   0.000  -0.006
  0.004  -0.012  -0.000   1.046   0.000   0.000  -0.589  -0.000
  0.000  -0.000   0.011   0.000   1.047  -0.006  -0.000  -0.590
  0.000  -0.000  -0.589   0.000  -0.006   0.391  -0.000   0.004
 -0.012   0.016   0.000  -0.589  -0.000  -0.000   0.391   0.000
 -0.000   0.000  -0.006  -0.000  -0.590   0.004   0.000   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0550: real time    0.0549
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0240: real time    0.0236
    STRESS:  cpu time    0.3729: real time    0.3732
    FORCOR:  cpu time    0.0040: real time    0.0040
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.73294   -76.78369   -76.76086     1.29535     0.00000    -0.00000
  Hartree     4.89349     4.88213     4.88208     0.31228     0.00000     0.00000
  E(xc)     -25.50575   -25.50537   -25.50573    -0.01190    -0.00000    -0.00000
  Local     -28.97211   -28.90971   -28.92949    -1.59281     0.00001     0.00001
  n-local    78.31802    78.30921    78.31590     0.23165     0.04509     1.39880
  augment   -11.66413   -11.66332   -11.66339    -0.02703    -0.00001    -0.00001
  Kinetic    57.26630    57.26398    57.25836     0.20301    -0.00096     1.73833
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.04370     1.03405     1.03769     0.41056    -0.00000     0.00000
  in kB      42.73030    42.33524    42.48408    16.80862    -0.00000     0.00000
  external pressure =       42.52 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.654259800  0.000000000     0.188334051  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.182767527  0.185550789  0.185550789
     2.694680000 -0.040420200  2.694680000     0.182767527 -0.185550789  0.185550789

  length of vectors
     3.782379593  3.810853002  3.811067357     0.322998305  0.319784552  0.319784552


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.718E-07 0.872E-07 0.157E+01   -.233E-14 -.142E-14 -.120E+01   0.307E-16 0.281E-16 -.533E+00   0.133E-06 0.132E-06 -.767E-03
   -.718E-07 -.872E-07 -.157E+01   0.164E-14 0.141E-14 0.120E+01   -.376E-16 0.348E-16 0.533E+00   -.133E-06 -.132E-06 0.767E-03
 -----------------------------------------------------------------------------------------------
   -.931E-14 0.372E-13 -.577E-13   -.688E-15 -.585E-17 0.000E+00   -.690E-17 0.630E-16 0.000E+00   0.163E-14 -.151E-14 -.238E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000     -0.164695
      1.34734      1.32713      1.34734        -0.000000     -0.000000      0.164695
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82180402 eV

  energy  without entropy=      -10.82180402  energy(sigma->0) =      -10.82180402
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.2492959E-06-0.249E-06
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.2842171E-13-0.284E-13


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0058


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   4/  7
  Displacement:        2/  2
  Total:               8/ 14
  LATTYP: Found a base centered monoclinic cell.
 ALAT       =     5.3893600000
 B/A-ratio  =     1.0000000000
 C/A-ratio  =     1.5882557256
 COS(beta)  =    -0.6711535526
  
  Lattice vectors:
  
 A1 = (   2.6946800000,   0.0000000000,   2.6946800000)
 A2 = (  -2.6946800000,   0.0000000000,   2.6946800000)
 A3 = (   0.0000000000,  -2.6946800000,  -8.1244602000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  2 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000     0.000001     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
    4    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    366 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909  0.000000 -0.000000      4.000000
  0.181818  0.000000 -0.000000      4.000000
  0.272727  0.000000 -0.000000      4.000000
  0.363636  0.000000 -0.000000      4.000000
  0.454545 -0.000000  0.000000      4.000000
  0.000000  0.090909  0.000000      4.000000
  0.090909  0.090909  0.000000      2.000000
  0.181818  0.090909 -0.000000      4.000000
  0.272727  0.090909  0.000000      4.000000
  0.363636  0.090909 -0.000000      4.000000
  0.454545  0.090909 -0.000000      4.000000
 -0.454545  0.090909  0.000000      4.000000
 -0.363636  0.090909  0.000000      4.000000
 -0.272727  0.090909  0.000000      4.000000
 -0.181818  0.090909  0.000000      4.000000
 -0.090909  0.090909  0.000000      4.000000
  0.000000  0.181818  0.000000      4.000000
  0.090909  0.181818  0.000000      4.000000
  0.181818  0.181818  0.000000      2.000000
  0.272727  0.181818  0.000000      4.000000
  0.363636  0.181818 -0.000000      4.000000
  0.454545  0.181818  0.000000      4.000000
 -0.454545  0.181818  0.000000      4.000000
 -0.363636  0.181818  0.000000      4.000000
 -0.272727  0.181818 -0.000000      4.000000
 -0.181818  0.181818  0.000000      4.000000
 -0.090909  0.181818  0.000000      4.000000
  0.000000  0.272727  0.000000      4.000000
  0.090909  0.272727  0.000000      4.000000
  0.181818  0.272727  0.000000      4.000000
  0.272727  0.272727  0.000000      2.000000
  0.363636  0.272727  0.000000      4.000000
  0.454545  0.272727  0.000000      4.000000
 -0.454545  0.272727 -0.000000      4.000000
 -0.363636  0.272727 -0.000000      4.000000
 -0.272727  0.272727  0.000000      4.000000
 -0.181818  0.272727  0.000000      4.000000
 -0.090909  0.272727  0.000000      4.000000
  0.000000  0.363636  0.000000      4.000000
  0.090909  0.363636  0.000000      4.000000
  0.181818  0.363636  0.000000      4.000000
  0.272727  0.363636  0.000000      4.000000
  0.363636  0.363636  0.000000      2.000000
  0.454545  0.363636  0.000000      4.000000
 -0.454545  0.363636  0.000000      4.000000
 -0.363636  0.363636  0.000000      4.000000
 -0.272727  0.363636 -0.000000      4.000000
 -0.181818  0.363636  0.000000      4.000000
 -0.090909  0.363636  0.000000      4.000000
 -0.000000  0.454545  0.000000      4.000000
  0.090909  0.454545  0.000000      4.000000
  0.181818  0.454545  0.000000      4.000000
  0.272727  0.454545  0.000000      4.000000
  0.363636  0.454545  0.000000      4.000000
  0.454545  0.454545  0.000000      2.000000
 -0.454545  0.454545  0.000000      4.000000
 -0.363636  0.454545  0.000000      4.000000
 -0.272727  0.454545  0.000000      4.000000
 -0.181818  0.454545 -0.000000      4.000000
 -0.090909  0.454545  0.000000      4.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818  0.000000  0.090909      4.000000
  0.272727 -0.000000  0.090909      4.000000
  0.363636  0.000000  0.090909      4.000000
  0.454545 -0.000000  0.090909      4.000000
 -0.454545  0.000000  0.090909      4.000000
 -0.363636 -0.000000  0.090909      4.000000
 -0.272727 -0.000000  0.090909      4.000000
 -0.181818 -0.000000  0.090909      4.000000
 -0.090909 -0.000000  0.090909      2.000000
  0.000000  0.090909  0.090909      2.000000
  0.181818  0.090909  0.090909      4.000000
  0.272727  0.090909  0.090909      4.000000
  0.363636  0.090909  0.090909      4.000000
  0.454545  0.090909  0.090909      4.000000
 -0.454545  0.090909  0.090909      4.000000
 -0.363636  0.090909  0.090909      4.000000
 -0.272727  0.090909  0.090909      4.000000
 -0.181818  0.090909  0.090909      4.000000
 -0.090909  0.090909  0.090909      4.000000
  0.000000  0.181818  0.090909      4.000000
  0.090909  0.181818  0.090909      2.000000
  0.272727  0.181818  0.090909      4.000000
  0.363636  0.181818  0.090909      4.000000
  0.454545  0.181818  0.090909      4.000000
 -0.454545  0.181818  0.090909      4.000000
 -0.363636  0.181818  0.090909      4.000000
 -0.272727  0.181818  0.090909      4.000000
 -0.181818  0.181818  0.090909      4.000000
 -0.090909  0.181818  0.090909      4.000000
 -0.000000  0.272727  0.090909      4.000000
  0.090909  0.272727  0.090909      4.000000
  0.181818  0.272727  0.090909      2.000000
  0.363636  0.272727  0.090909      4.000000
  0.454545  0.272727  0.090909      4.000000
 -0.454545  0.272727  0.090909      4.000000
 -0.363636  0.272727  0.090909      4.000000
 -0.272727  0.272727  0.090909      4.000000
 -0.181818  0.272727  0.090909      4.000000
 -0.090909  0.272727  0.090909      4.000000
  0.000000  0.363636  0.090909      4.000000
  0.090909  0.363636  0.090909      4.000000
  0.181818  0.363636  0.090909      4.000000
  0.272727  0.363636  0.090909      2.000000
  0.454545  0.363636  0.090909      4.000000
 -0.454545  0.363636  0.090909      4.000000
 -0.363636  0.363636  0.090909      4.000000
 -0.272727  0.363636  0.090909      4.000000
 -0.181818  0.363636  0.090909      4.000000
 -0.090909  0.363636  0.090909      4.000000
  0.000000  0.454545  0.090909      4.000000
  0.090909  0.454545  0.090909      4.000000
  0.181818  0.454545  0.090909      4.000000
  0.272727  0.454545  0.090909      4.000000
  0.363636  0.454545  0.090909      2.000000
 -0.454545  0.454545  0.090909      4.000000
 -0.363636  0.454545  0.090909      4.000000
 -0.272727  0.454545  0.090909      4.000000
 -0.181818  0.454545  0.090909      4.000000
 -0.090909  0.454545  0.090909      4.000000
 -0.000000 -0.454545  0.090909      4.000000
  0.090909 -0.454545  0.090909      4.000000
  0.181818 -0.454545  0.090909      4.000000
  0.272727 -0.454545  0.090909      4.000000
  0.363636 -0.454545  0.090909      4.000000
  0.454545 -0.454545  0.090909      2.000000
 -0.272727 -0.454545  0.090909      4.000000
 -0.181818 -0.454545  0.090909      4.000000
 -0.090909 -0.454545  0.090909      4.000000
 -0.000000 -0.363636  0.090909      4.000000
  0.090909 -0.363636  0.090909      4.000000
  0.181818 -0.363636  0.090909      4.000000
  0.272727 -0.363636  0.090909      4.000000
  0.363636 -0.363636  0.090909      4.000000
  0.454545 -0.363636  0.090909      4.000000
 -0.454545 -0.363636  0.090909      2.000000
 -0.181818 -0.363636  0.090909      4.000000
 -0.090909 -0.363636  0.090909      4.000000
 -0.000000 -0.272727  0.090909      4.000000
  0.090909 -0.272727  0.090909      4.000000
  0.181818 -0.272727  0.090909      4.000000
  0.272727 -0.272727  0.090909      4.000000
  0.363636 -0.272727  0.090909      4.000000
  0.454545 -0.272727  0.090909      4.000000
 -0.454545 -0.272727  0.090909      4.000000
 -0.363636 -0.272727  0.090909      2.000000
 -0.090909 -0.272727  0.090909      4.000000
  0.000000 -0.181818  0.090909      4.000000
  0.090909 -0.181818  0.090909      4.000000
  0.181818 -0.181818  0.090909      4.000000
  0.272727 -0.181818  0.090909      4.000000
  0.363636 -0.181818  0.090909      4.000000
  0.454545 -0.181818  0.090909      4.000000
 -0.454545 -0.181818  0.090909      4.000000
 -0.363636 -0.181818  0.090909      4.000000
 -0.272727 -0.181818  0.090909      2.000000
  0.090909 -0.090909  0.090909      4.000000
  0.181818 -0.090909  0.090909      4.000000
  0.272727 -0.090909  0.090909      4.000000
  0.363636 -0.090909  0.090909      4.000000
  0.454545 -0.090909  0.090909      4.000000
 -0.454545 -0.090909  0.090909      4.000000
 -0.363636 -0.090909  0.090909      4.000000
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  0.185551 -0.016615 -0.016868      2.000000
 
    WAVPRE:  cpu time    0.1530: real time    0.1575
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0590: real time    0.0589
    ORTHCH:  cpu time    0.3270: real time    0.3268
     LOOP+:  cpu time    9.4596: real time    9.4758


--------------------------------------- Iteration     10(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0070: real time    0.0088
    SETDIJ:  cpu time    0.0010: real time    0.0017
    EDDIAG:  cpu time    0.6019: real time    0.6012
  RMM-DIIS:  cpu time    0.4419: real time    0.4419
    ORTHCH:  cpu time    0.3160: real time    0.3159
       DOS:  cpu time    0.0030: real time    0.0032
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4258: real time    1.4278

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) :-0.7304806E-02  (-0.8033520E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595818 magnetization 

 Broyden mixing:
  rms(total) = 0.26554E-01    rms(broyden)= 0.26553E-01
  rms(prec ) = 0.10302E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65366787
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85678265
  PAW double counting   =        75.11719641      -40.17622397
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.44565172
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82910802 eV

  energy without entropy =      -10.82910802  energy(sigma->0) =      -10.82910802


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5959: real time    0.5953
  RMM-DIIS:  cpu time    0.5199: real time    0.5198
    ORTHCH:  cpu time    0.3150: real time    0.3151
       DOS:  cpu time    0.0030: real time    0.0031
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4938: real time    1.4940

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.4583713E-02  (-0.8515779E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595967 magnetization 

 Broyden mixing:
  rms(total) = 0.15127E-01    rms(broyden)= 0.15127E-01
  rms(prec ) = 0.58967E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2099
  2.2099

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65369560
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85688452
  PAW double counting   =        75.11712013      -40.17613791
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45035525
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82452431 eV

  energy without entropy =      -10.82452431  energy(sigma->0) =      -10.82452431


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5939: real time    0.5940
  RMM-DIIS:  cpu time    0.5199: real time    0.5197
    ORTHCH:  cpu time    0.3150: real time    0.3151
       DOS:  cpu time    0.0030: real time    0.0030
    CHARGE:  cpu time    0.0550: real time    0.0550
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4918: real time    1.4925

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.2523250E-02  (-0.1698443E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595829 magnetization 

 Broyden mixing:
  rms(total) = 0.31881E-02    rms(broyden)= 0.31879E-02
  rms(prec ) = 0.12598E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4806
  2.1186  2.8426

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65796342
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660229
  PAW double counting   =        75.11831370      -40.17738143
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45691403
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82200106 eV

  energy without entropy =      -10.82200106  energy(sigma->0) =      -10.82200106


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5939: real time    0.5944
  RMM-DIIS:  cpu time    0.5199: real time    0.5198
    ORTHCH:  cpu time    0.3160: real time    0.3154
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0540: real time    0.0549
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4938: real time    1.4933

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1922527E-03  (-0.1564032E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595860 magnetization 

 Broyden mixing:
  rms(total) = 0.59892E-03    rms(broyden)= 0.59891E-03
  rms(prec ) = 0.21836E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9116
  2.8715  0.8881  1.9753

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65717827
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85665073
  PAW double counting   =        75.11641877      -40.17542064
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45630372
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180881 eV

  energy without entropy =      -10.82180881  energy(sigma->0) =      -10.82180881


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5949: real time    0.5945
  RMM-DIIS:  cpu time    0.5189: real time    0.5198
    ORTHCH:  cpu time    0.3150: real time    0.3150
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4918: real time    1.4928

 eigenvalue-minimisations  : 11528
 total energy-change (2. order) : 0.1851553E-05  (-0.5468163E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595853 magnetization 

 Broyden mixing:
  rms(total) = 0.28209E-03    rms(broyden)= 0.28208E-03
  rms(prec ) = 0.89558E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1430
  1.0129  3.1281  2.5705  1.8605

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65747652
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85662830
  PAW double counting   =        75.11680918      -40.17582401
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45659435
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180696 eV

  energy without entropy =      -10.82180696  energy(sigma->0) =      -10.82180696


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5949: real time    0.5948
  RMM-DIIS:  cpu time    0.5189: real time    0.5197
    ORTHCH:  cpu time    0.3160: real time    0.3151
       DOS:  cpu time    0.0020: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4938: real time    1.4932

 eigenvalue-minimisations  :  8977
 total energy-change (2. order) : 0.2957273E-05  (-0.6899453E-07)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595846 magnetization 

 Broyden mixing:
  rms(total) = 0.28503E-04    rms(broyden)= 0.28487E-04
  rms(prec ) = 0.98227E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8942
  3.0856  2.5310  1.9338  0.9602  0.9602

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65768135
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660990
  PAW double counting   =        75.11721431      -40.17624227
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45679686
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180400 eV

  energy without entropy =      -10.82180400  energy(sigma->0) =      -10.82180400


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   7)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5929: real time    0.5931
  RMM-DIIS:  cpu time    0.5189: real time    0.5185
    ORTHCH:  cpu time    0.3150: real time    0.3150
       DOS:  cpu time    0.0030: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    1.4348: real time    1.4350

 eigenvalue-minimisations  :  7456
 total energy-change (2. order) :-0.4447588E-07  (-0.8302957E-08)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595846 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65768972
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660949
  PAW double counting   =        75.11718967      -40.17621681
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45680398
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180404 eV

  energy without entropy =      -10.82180404  energy(sigma->0) =      -10.82180404


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9890       2 -82.9890
 
 
 
 E-fermi :   6.1206     XC(G=0):  -9.4993     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0570      2.00000
      2       6.0422      2.00000
      3       6.0594      2.00000
      4       6.0814      2.00000
      5       8.5217      0.00000
      6       8.6149      0.00000
      7       8.7550      0.00000
      8       9.7235      0.00000
      9      13.8045      0.00000
     10      13.8068      0.00000
     11      14.1155      0.00000
     12      17.3681      0.00000
     13      17.3941      0.00000
     14      17.4250      0.00000
     15      21.6174      0.00000
     16      29.4525      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9451      2.00000
      2       5.1073      2.00000
      3       5.8641      2.00000
      4       5.8876      2.00000
      5       8.6697      0.00000
      6       8.7843      0.00000
      7       8.9577      0.00000
      8      10.4911      0.00000
      9      13.4630      0.00000
     10      13.4807      0.00000
     11      14.5927      0.00000
     12      17.0339      0.00000
     13      18.0701      0.00000
     14      18.0872      0.00000
     15      22.3517      0.00000
     16      28.3298      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6134      2.00000
      2       3.4123      2.00000
      3       5.5089      2.00000
      4       5.5265      2.00000
      5       8.3793      0.00000
      6       9.2827      0.00000
      7       9.4343      0.00000
      8      12.0327      0.00000
      9      13.0677      0.00000
     10      13.1232      0.00000
     11      15.3037      0.00000
     12      16.9750      0.00000
     13      19.6203      0.00000
     14      19.6332      0.00000
     15      23.9188      0.00000
     16      25.8528      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0777      2.00000
      2       1.7139      2.00000
      3       5.1778      2.00000
      4       5.1861      2.00000
      5       8.0295      0.00000
      6       9.5298      0.00000
      7       9.6695      0.00000
      8      13.3505      0.00000
      9      13.3926      0.00000
     10      13.5876      0.00000
     11      15.0535      0.00000
     12      18.6881      0.00000
     13      21.2391      0.00000
     14      21.2413      0.00000
     15      23.6943      0.00000
     16      23.8551      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.3872      2.00000
      2       0.2114      2.00000
      3       4.9429      2.00000
      4       4.9440      2.00000
      5       7.7652      0.00000
      6       9.4452      0.00000
      7       9.5783      0.00000
      8      13.9721      0.00000
      9      14.4402      0.00000
     10      14.5697      0.00000
     11      15.7940      0.00000
     12      20.2157      0.00000
     13      20.3153      0.00000
     14      20.5700      0.00000
     15      23.0074      0.00000
     16      24.6177      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.7372      2.00000
      2      -0.8529      2.00000
      3       4.8195      2.00000
      4       4.8256      2.00000
      5       7.6279      0.00000
      6       9.3200      0.00000
      7       9.4528      0.00000
      8      13.8010      0.00000
      9      16.0122      0.00000
     10      16.1558      0.00000
     11      17.2515      0.00000
     12      18.1628      0.00000
     13      18.3445      0.00000
     14      19.8532      0.00000
     15      24.7498      0.00000
     16      26.9539      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2763      2.00000
      3       5.5506      2.00000
      4       5.5542      2.00000
      5       8.3043      0.00000
      6       9.3068      0.00000
      7       9.3324      0.00000
      8      10.4209      0.00000
      9      12.9258      0.00000
     10      13.9665      0.00000
     11      14.7318      0.00000
     12      17.6492      0.00000
     13      17.6533      0.00000
     14      18.0171      0.00000
     15      22.6417      0.00000
     16      27.7975      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6495      2.00000
      2       3.9129      2.00000
      3       5.1337      2.00000
      4       5.3531      2.00000
      5       8.3261      0.00000
      6       9.3392      0.00000
      7       9.9436      0.00000
      8      11.1933      0.00000
      9      12.8050      0.00000
     10      13.9023      0.00000
     11      15.5782      0.00000
     12      17.2540      0.00000
     13      18.5492      0.00000
     14      19.4798      0.00000
     15      24.0205      0.00000
     16      25.8750      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1785      2.00000
      2       2.2579      2.00000
      3       4.8004      2.00000
      4       4.9692      2.00000
      5       8.4827      0.00000
      6       9.3077      0.00000
      7      10.2957      0.00000
      8      11.4014      0.00000
      9      13.9935      0.00000
     10      14.1683      0.00000
     11      15.6768      0.00000
     12      18.1809      0.00000
     13      20.0865      0.00000
     14      21.3302      0.00000
     15      23.4576      0.00000
     16      24.1387      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5296      2.00000
      2       0.7062      2.00000
      3       4.5678      2.00000
      4       4.6070      2.00000
      5       8.3361      0.00000
      6       9.3232      0.00000
      7      10.1972      0.00000
      8      12.1637      0.00000
      9      14.9475      0.00000
     10      15.0895      0.00000
     11      15.9418      0.00000
     12      19.9004      0.00000
     13      20.0877      0.00000
     14      21.5366      0.00000
     15      23.2012      0.00000
     16      23.6543      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.8224      2.00000
      2      -0.5342      2.00000
      3       4.2521      2.00000
      4       4.5639      2.00000
      5       8.1981      0.00000
      6       9.2689      0.00000
      7       9.9351      0.00000
      8      13.4377      0.00000
      9      14.8427      0.00000
     10      16.5189      0.00000
     11      17.4909      0.00000
     12      18.0899      0.00000
     13      19.0288      0.00000
     14      21.2358      0.00000
     15      23.9077      0.00000
     16      25.3705      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9550      2.00000
      3       4.0580      2.00000
      4       4.6688      2.00000
      5       8.1789      0.00000
      6       9.3248      0.00000
      7       9.7421      0.00000
      8      14.1503      0.00000
      9      15.4627      0.00000
     10      15.8627      0.00000
     11      17.2675      0.00000
     12      18.5970      0.00000
     13      18.9447      0.00000
     14      20.1103      0.00000
     15      25.3597      0.00000
     16      26.5459      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0559      2.00000
      2      -0.1595      2.00000
      3       4.0092      2.00000
      4       4.9044      2.00000
      5       8.2897      0.00000
      6       9.5283      0.00000
      7       9.6779      0.00000
      8      13.9139      0.00000
      9      14.1765      0.00000
     10      15.3239      0.00000
     11      17.4219      0.00000
     12      18.1378      0.00000
     13      20.6534      0.00000
     14      21.1451      0.00000
     15      23.1200      0.00000
     16      24.5641      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2187      2.00000
      3       4.1241      2.00000
      4       5.2415      2.00000
      5       8.5164      0.00000
      6       9.6247      0.00000
      7       9.7913      0.00000
      8      12.8308      0.00000
      9      12.9950      0.00000
     10      15.4421      0.00000
     11      15.7697      0.00000
     12      19.1366      0.00000
     13      20.4218      0.00000
     14      22.2345      0.00000
     15      22.3244      0.00000
     16      24.1293      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3632      2.00000
      2       2.8088      2.00000
      3       4.4262      2.00000
      4       5.6237      2.00000
      5       8.8165      0.00000
      6       9.3630      0.00000
      7       9.7201      0.00000
      8      12.0641      0.00000
      9      12.4349      0.00000
     10      14.3388      0.00000
     11      15.8434      0.00000
     12      17.5420      0.00000
     13      19.3510      0.00000
     14      21.1708      0.00000
     15      23.4163      0.00000
     16      24.7650      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7636      2.00000
      2       4.2686      2.00000
      3       5.0414      2.00000
      4       5.9175      2.00000
      5       8.8744      0.00000
      6       9.1186      0.00000
      7       9.1624      0.00000
      8      11.2657      0.00000
      9      12.7802      0.00000
     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2275      0.00000
     13      17.9540      0.00000
     14      19.4185      0.00000
     15      23.3450      0.00000
     16      25.9151      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4700      2.00000
      2       3.7780      2.00000
      3       4.7000      2.00000
      4       4.7008      2.00000
      5       7.6466      0.00000
      6      10.2408      0.00000
      7      10.7066      0.00000
      8      10.7236      0.00000
      9      13.0382      0.00000
     10      14.4529      0.00000
     11      16.2398      0.00000
     12      18.3932      0.00000
     13      18.3957      0.00000
     14      19.0159      0.00000
     15      25.1484      0.00000
     16      25.4116      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0671      2.00000
      2       2.5874      2.00000
      3       4.3035      2.00000
      4       4.3426      2.00000
      5       7.6773      0.00000
      6       9.7450      0.00000
      7      10.9368      0.00000
      8      11.3054      0.00000
      9      14.3620      0.00000
     10      14.7744      0.00000
     11      16.9747      0.00000
     12      18.3936      0.00000
     13      19.3732      0.00000
     14      20.7080      0.00000
     15      23.4206      0.00000
     16      23.9568      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4717      2.00000
      2       1.1732      2.00000
      3       3.7573      2.00000
      4       4.1362      2.00000
      5       7.9186      0.00000
      6      10.0908      0.00000
      7      10.7234      0.00000
      8      11.3546      0.00000
      9      15.6082      0.00000
     10      16.1095      0.00000
     11      16.6801      0.00000
     12      19.6843      0.00000
     13      19.7933      0.00000
     14      21.4649      0.00000
     15      22.3572      0.00000
     16      23.7039      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.7572      2.00000
      2      -0.1098      2.00000
      3       3.2559      2.00000
      4       4.1018      2.00000
      5       7.9533      0.00000
      6      10.5010      0.00000
      7      11.0664      0.00000
      8      11.3326      0.00000
      9      16.0385      0.00000
     10      16.9900      0.00000
     11      17.8796      0.00000
     12      18.0815      0.00000
     13      19.1704      0.00000
     14      22.5259      0.00000
     15      24.0731      0.00000
     16      24.2568      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.2436      2.00000
      2      -0.8524      2.00000
      3       2.8969      2.00000
      4       4.2372      2.00000
      5       8.0588      0.00000
      6      10.3715      0.00000
      7      10.7626      0.00000
      8      13.0018      0.00000
      9      15.2883      0.00000
     10      15.7579      0.00000
     11      17.7176      0.00000
     12      19.0342      0.00000
     13      19.9828      0.00000
     14      21.9942      0.00000
     15      25.2114      0.00000
     16      25.4545      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.5595      2.00000
      2      -0.4029      2.00000
      3       2.7254      2.00000
      4       4.5257      2.00000
      5       8.3305      0.00000
      6      10.3582      0.00000
      7      10.5496      0.00000
      8      13.8672      0.00000
      9      14.0742      0.00000
     10      14.8040      0.00000
     11      17.5246      0.00000
     12      20.0429      0.00000
     13      21.0584      0.00000
     14      21.5810      0.00000
     15      22.8504      0.00000
     16      25.2220      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2691      2.00000
      2       0.7648      2.00000
      3       2.7987      2.00000
      4       4.9295      2.00000
      5       8.7302      0.00000
      6      10.3139      0.00000
      7      10.4366      0.00000
      8      12.5330      0.00000
      9      12.6692      0.00000
     10      16.2592      0.00000
     11      18.1465      0.00000
     12      18.2510      0.00000
     13      20.2056      0.00000
     14      22.3164      0.00000
     15      23.0018      0.00000
     16      24.0544      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9102      2.00000
      2       1.9677      2.00000
      3       3.3136      2.00000
      4       5.3652      2.00000
      5       9.1031      0.00000
      6       9.8488      0.00000
      7      10.1546      0.00000
      8      11.8493      0.00000
      9      12.1337      0.00000
     10      16.2370      0.00000
     11      16.8564      0.00000
     12      17.8242      0.00000
     13      19.9591      0.00000
     14      21.2740      0.00000
     15      22.7717      0.00000
     16      24.9473      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7467      2.00000
      2       2.1362      2.00000
      3       3.9640      2.00000
      4       3.9642      2.00000
      5       7.0382      0.00000
      6       8.8420      0.00000
      7      12.3020      0.00000
      8      12.3025      0.00000
      9      14.8579      0.00000
     10      15.2633      0.00000
     11      18.1410      0.00000
     12      19.4318      0.00000
     13      19.4430      0.00000
     14      20.2660      0.00000
     15      23.1963      0.00000
     16      23.2516      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2111      2.00000
      2       1.1446      2.00000
      3       3.4385      2.00000
      4       3.7226      2.00000
      5       7.1580      0.00000
      6       8.5184      0.00000
      7      12.5371      0.00000
      8      12.7553      0.00000
      9      16.0200      0.00000
     10      16.4047      0.00000
     11      18.3049      0.00000
     12      19.6326      0.00000
     13      20.0522      0.00000
     14      21.0645      0.00000
     15      22.1731      0.00000
     16      23.1737      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5205      2.00000
      2       0.0754      2.00000
      3       2.6865      2.00000
      4       3.6582      2.00000
      5       7.3539      0.00000
      6       9.2914      0.00000
      7      12.3689      0.00000
      8      12.5833      0.00000
      9      17.2874      0.00000
     10      17.4322      0.00000
     11      17.9944      0.00000
     12      18.3399      0.00000
     13      19.9020      0.00000
     14      21.9687      0.00000
     15      23.0120      0.00000
     16      24.6273      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.8703      2.00000
      2      -0.7631      2.00000
      3       2.0846      2.00000
      4       3.7744      2.00000
      5       7.4892      0.00000
      6      10.8026      0.00000
      7      12.1662      0.00000
      8      12.2824      0.00000
      9      15.7073      0.00000
     10      15.9162      0.00000
     11      19.2301      0.00000
     12      19.4105      0.00000
     13      20.2504      0.00000
     14      23.8186      0.00000
     15      24.0081      0.00000
     16      24.4536      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9454      2.00000
      2      -0.6587      2.00000
      3       1.7780      2.00000
      4       4.0592      2.00000
      5       7.7936      0.00000
      6      11.8228      0.00000
      7      11.9359      0.00000
      8      12.8732      0.00000
      9      13.9219      0.00000
     10      14.1576      0.00000
     11      19.1813      0.00000
     12      21.3929      0.00000
     13      21.7253      0.00000
     14      22.3414      0.00000
     15      22.8850      0.00000
     16      24.0529      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6212      2.00000
      2       0.1354      2.00000
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     12      19.9530      0.00000
     13      20.5800      0.00000
     14      22.9910      0.00000
     15      23.3646      0.00000
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 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
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     11      19.3762      0.00000
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     13      19.8195      0.00000
     14      21.6600      0.00000
     15      21.9120      0.00000
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     10      17.8984      0.00000
     11      18.0728      0.00000
     12      18.4550      0.00000
     13      20.8195      0.00000
     14      21.2360      0.00000
     15      21.8644      0.00000
     16      24.1096      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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      2      -1.1105      2.00000
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     11      19.5267      0.00000
     12      20.2016      0.00000
     13      21.3768      0.00000
     14      21.5343      0.00000
     15      22.3016      0.00000
     16      24.5595      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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      2      -1.1146      2.00000
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     10      14.3721      0.00000
     11      21.0780      0.00000
     12      21.3118      0.00000
     13      21.7209      0.00000
     14      21.9581      0.00000
     15      22.1573      0.00000
     16      23.8135      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     10      17.7406      0.00000
     11      17.8574      0.00000
     12      18.6625      0.00000
     13      19.6091      0.00000
     14      19.9776      0.00000
     15      24.0132      0.00000
     16      24.9458      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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      2      -1.7464      2.00000
      3       2.7241      2.00000
      4       3.2107      2.00000
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     10      16.4707      0.00000
     11      19.2932      0.00000
     12      19.4286      0.00000
     13      19.8069      0.00000
     14      20.3287      0.00000
     15      24.0784      0.00000
     16      24.5203      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
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      3       4.1791      2.00000
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     10      14.5828      0.00000
     11      16.4275      0.00000
     12      17.6593      0.00000
     13      18.8627      0.00000
     14      20.8095      0.00000
     15      23.4160      0.00000
     16      25.1038      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7963      2.00000
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      3       3.5940      2.00000
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     10      16.0879      0.00000
     11      16.4732      0.00000
     12      18.5880      0.00000
     13      20.1552      0.00000
     14      21.5734      0.00000
     15      22.3272      0.00000
     16      24.5161      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1079      2.00000
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     12      18.1662      0.00000
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     14      21.6476      0.00000
     15      23.1975      0.00000
     16      24.1371      0.00000

 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
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     14      21.6219      0.00000
     15      24.1673      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
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     13      20.0697      0.00000
     14      22.7883      0.00000
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
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     14      22.0922      0.00000
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     16      25.0917      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6429      2.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9289      2.00000
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     10      17.5523      0.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4309      2.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8540      2.00000
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     10      14.9795      0.00000
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 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4461      2.00000
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     11      18.3097      0.00000
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     13      20.1203      0.00000
     14      21.6946      0.00000
     15      22.8144      0.00000
     16      24.3321      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9229      2.00000
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      4       2.9636      2.00000
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     10      16.5913      0.00000
     11      19.2457      0.00000
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     14      22.5473      0.00000
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 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3221      2.00000
      2      -0.0574      2.00000
      3       2.1795      2.00000
      4       3.3826      2.00000
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     10      15.7365      0.00000
     11      19.7424      0.00000
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     14      20.8943      0.00000
     15      23.0594      0.00000
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 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6484      2.00000
      2      -0.7977      2.00000
      3       1.9120      2.00000
      4       3.0279      2.00000
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     10      17.0181      0.00000
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     14      22.6970      0.00000
     15      23.2759      0.00000
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 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.2507      2.00000
      2      -1.1247      2.00000
      3       2.1253      2.00000
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     10      17.3275      0.00000
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     13      21.8513      0.00000
     14      22.7072      0.00000
     15      23.2440      0.00000
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 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.0420      2.00000
      2      -1.2946      2.00000
      3       1.8335      2.00000
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     10      16.9759      0.00000
     11      19.0134      0.00000
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     13      21.8864      0.00000
     14      22.9504      0.00000
     15      24.4862      0.00000
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 k-point    57 :      -0.0000    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.9481      2.00000
      2       5.0379      2.00000
      3       5.8887      2.00000
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     10      13.5084      0.00000
     11      14.5611      0.00000
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     13      18.0562      0.00000
     14      18.0774      0.00000
     15      22.3189      0.00000
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 k-point    58 :      -0.0000    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6255      2.00000
      2       3.3340      2.00000
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     10      13.1815      0.00000
     11      15.2974      0.00000
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     13      19.5551      0.00000
     14      19.5622      0.00000
     15      23.8307      0.00000
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 k-point    59 :       0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6584      2.00000
      2       3.8669      2.00000
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      5       8.3725      0.00000
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     10      13.9414      0.00000
     11      15.5369      0.00000
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     14      19.4107      0.00000
     15      23.9566      0.00000
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 k-point    60 :      -0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.3726      2.00000
      2       2.7379      2.00000
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     10      14.4211      0.00000
     11      15.8766      0.00000
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     14      21.1288      0.00000
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 k-point    61 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.1061      2.00000
      2       1.6537      2.00000
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     10      13.5610      0.00000
     11      15.0996      0.00000
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     13      21.0868      0.00000
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 k-point    62 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.2028      2.00000
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     10      14.1706      0.00000
     11      15.7373      0.00000
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     14      21.1825      0.00000
     15      23.1914      0.00000
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 k-point    63 :       0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -5.0820      2.00000
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      9      14.2541      0.00000
     10      14.8075      0.00000
     11      17.0083      0.00000
     12      18.3587      0.00000
     13      19.2756      0.00000
     14      20.5489      0.00000
     15      23.1444      0.00000
     16      23.7826      0.00000

 k-point    64 :      -0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -4.2879      2.00000
      2       0.7300      2.00000
      3       2.8562      2.00000
      4       4.9512      2.00000
      5       8.7647      0.00000
      6      10.3228      0.00000
      7      10.5216      0.00000
      8      12.4614      0.00000
      9      12.6109      0.00000
     10      16.3739      0.00000
     11      18.1612      0.00000
     12      18.3208      0.00000
     13      20.0842      0.00000
     14      22.1577      0.00000
     15      22.8282      0.00000
     16      23.9747      0.00000

 k-point    65 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1609      2.00000
      3       4.2164      2.00000
      4       5.2895      2.00000
      5       8.6102      0.00000
      6       9.5982      0.00000
      7       9.8477      0.00000
      8      12.7868      0.00000
      9      12.9452      0.00000
     10      15.5348      0.00000
     11      15.9203      0.00000
     12      18.9597      0.00000
     13      20.2905      0.00000
     14      22.1432      0.00000
     15      22.1816      0.00000
     16      23.9705      0.00000

 k-point    66 :      -0.0000    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4419      2.00000
      2       0.1829      2.00000
      3       5.0113      2.00000
      4       5.0141      2.00000
      5       7.9017      0.00000
      6       9.4823      0.00000
      7       9.6165      0.00000
      8      14.0423      0.00000
      9      14.4566      0.00000
     10      14.5951      0.00000
     11      15.7871      0.00000
     12      20.0094      0.00000
     13      20.2439      0.00000
     14      20.2671      0.00000
     15      22.9139      0.00000
     16      24.4837      0.00000

 k-point    67 :       0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5777      2.00000
      2       0.6860      2.00000
      3       4.5930      2.00000
      4       4.6593      2.00000
      5       8.4286      0.00000
      6       9.4876      0.00000
      7      10.1809      0.00000
      8      12.3096      0.00000
      9      14.9790      0.00000
     10      15.1135      0.00000
     11      15.8617      0.00000
     12      19.5859      0.00000
     13      19.8306      0.00000
     14      21.3588      0.00000
     15      23.0455      0.00000
     16      23.6400      0.00000

 k-point    68 :       0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5086      2.00000
      2       1.1824      2.00000
      3       3.7334      2.00000
      4       4.1661      2.00000
      5       7.9564      0.00000
      6      10.2170      0.00000
      7      10.9073      0.00000
      8      11.3619      0.00000
      9      15.6093      0.00000
     10      16.0202      0.00000
     11      16.7643      0.00000
     12      19.4431      0.00000
     13      19.5611      0.00000
     14      21.2943      0.00000
     15      22.1827      0.00000
     16      23.5079      0.00000

 k-point    69 :       0.2727    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.2322      2.00000
      2       1.1757      2.00000
      3       3.3878      2.00000
      4       3.7345      2.00000
      5       7.1830      0.00000
      6       8.5759      0.00000
      7      12.6907      0.00000
      8      12.7874      0.00000
      9      16.0150      0.00000
     10      16.2747      0.00000
     11      18.3458      0.00000
     12      19.4601      0.00000
     13      20.0159      0.00000
     14      20.9933      0.00000
     15      22.0117      0.00000
     16      22.9705      0.00000

 k-point    70 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2      -0.6319      2.00000
      3       1.7909      2.00000
      4       4.0723      2.00000
      5       7.8101      0.00000
      6      11.9045      0.00000
      7      12.0244      0.00000
      8      12.9651      0.00000
      9      13.8154      0.00000
     10      14.0036      0.00000
     11      19.3800      0.00000
     12      21.2330      0.00000
     13      21.5156      0.00000
     14      22.2278      0.00000
     15      22.9949      0.00000
     16      24.2254      0.00000

 k-point    71 :      -0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -3.6139      2.00000
      2      -0.4032      2.00000
      3       2.7808      2.00000
      4       4.5596      2.00000
      5       8.3778      0.00000
      6      10.4807      0.00000
      7      10.5901      0.00000
      8      13.7635      0.00000
      9      13.9624      0.00000
     10      14.9043      0.00000
     11      17.6004      0.00000
     12      20.2356      0.00000
     13      20.8771      0.00000
     14      21.3355      0.00000
     15      22.6664      0.00000
     16      25.0120      0.00000

 k-point    72 :      -0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.1129      2.00000
      2      -0.1809      2.00000
      3       4.0934      2.00000
      4       4.9635      2.00000
      5       8.3982      0.00000
      6       9.6149      0.00000
      7       9.6764      0.00000
      8      13.8709      0.00000
      9      14.1099      0.00000
     10      15.3780      0.00000
     11      17.6150      0.00000
     12      18.1430      0.00000
     13      20.4407      0.00000
     14      20.8518      0.00000
     15      22.9748      0.00000
     16      24.3450      0.00000

 k-point    73 :      -0.0000    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.8295      2.00000
      2      -0.8402      2.00000
      3       4.8939      2.00000
      4       4.8970      2.00000
      5       7.7705      0.00000
      6       9.3695      0.00000
      7       9.5026      0.00000
      8      13.8954      0.00000
      9      15.9777      0.00000
     10      16.1496      0.00000
     11      17.2454      0.00000
     12      18.0738      0.00000
     13      18.2511      0.00000
     14      19.6849      0.00000
     15      24.4654      0.00000
     16      26.8105      0.00000

 k-point    74 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.9046      2.00000
      2      -0.5212      2.00000
      3       4.2998      2.00000
      4       4.6242      2.00000
      5       8.3077      0.00000
      6       9.4108      0.00000
      7       9.9344      0.00000
      8      13.5840      0.00000
      9      14.9340      0.00000
     10      16.4472      0.00000
     11      17.3691      0.00000
     12      17.8870      0.00000
     13      18.8137      0.00000
     14      21.2760      0.00000
     15      23.7053      0.00000
     16      25.1948      0.00000

 k-point    75 :       0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.8251      2.00000
      2      -0.0797      2.00000
      3       3.2631      2.00000
      4       4.1388      2.00000
      5       7.9988      0.00000
      6      10.6697      0.00000
      7      11.0965      0.00000
      8      11.4670      0.00000
      9      16.1210      0.00000
     10      16.9424      0.00000
     11      17.7148      0.00000
     12      17.9158      0.00000
     13      18.9707      0.00000
     14      22.3167      0.00000
     15      23.8997      0.00000
     16      24.4213      0.00000

 k-point    76 :       0.2727    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5702      2.00000
      2       0.1309      2.00000
      3       2.6484      2.00000
      4       3.6764      2.00000
      5       7.3734      0.00000
      6       9.3657      0.00000
      7      12.5495      0.00000
      8      12.6619      0.00000
      9      17.2138      0.00000
     10      17.3948      0.00000
     11      17.7768      0.00000
     12      18.1948      0.00000
     13      19.9451      0.00000
     14      21.8827      0.00000
     15      22.9693      0.00000
     16      24.7667      0.00000

 k-point    77 :       0.3636    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.1328      2.00000
      2      -0.3254      2.00000
      3       2.8786      2.00000
      4       3.3445      2.00000
      5       6.8749      0.00000
      6       7.7240      0.00000
      7      14.3256      0.00000
      8      14.4652      0.00000
      9      17.5417      0.00000
     10      17.7079      0.00000
     11      17.8970      0.00000
     12      18.3319      0.00000
     13      20.9492      0.00000
     14      21.3893      0.00000
     15      22.0600      0.00000
     16      24.0549      0.00000

 k-point    78 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.4543      2.00000
      2      -1.0442      2.00000
      3       2.0781      2.00000
      4       3.4201      2.00000
      5       7.0428      0.00000
      6       8.9386      0.00000
      7      14.0428      0.00000
      8      14.3584      0.00000
      9      15.7985      0.00000
     10      15.9731      0.00000
     11      19.4110      0.00000
     12      20.0581      0.00000
     13      21.6224      0.00000
     14      21.7449      0.00000
     15      22.3808      0.00000
     16      24.2456      0.00000

 k-point    79 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.9501      2.00000
      2      -0.6899      2.00000
      3       2.0760      2.00000
      4       3.7931      2.00000
      5       7.5115      0.00000
      6      10.8526      0.00000
      7      12.2724      0.00000
      8      12.4504      0.00000
      9      15.5517      0.00000
     10      15.7571      0.00000
     11      19.2668      0.00000
     12      19.4452      0.00000
     13      20.0914      0.00000
     14      23.8707      0.00000
     15      23.9722      0.00000
     16      24.5014      0.00000

 k-point    80 :      -0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.3364      2.00000
      2      -0.8062      2.00000
      3       2.9323      2.00000
      4       4.2757      2.00000
      5       8.1095      0.00000
      6      10.5293      0.00000
      7      10.8014      0.00000
      8      13.1112      0.00000
      9      15.2359      0.00000
     10      15.6195      0.00000
     11      17.7213      0.00000
     12      18.9091      0.00000
     13      19.8313      0.00000
     14      22.1446      0.00000
     15      24.9203      0.00000
     16      25.2131      0.00000

 k-point    81 :      -0.0909    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9307      2.00000
      3       4.1261      2.00000
      4       4.7316      2.00000
      5       8.2924      0.00000
      6       9.4464      0.00000
      7       9.7433      0.00000
      8      14.2558      0.00000
      9      15.4962      0.00000
     10      15.7492      0.00000
     11      17.1637      0.00000
     12      18.4581      0.00000
     13      19.0345      0.00000
     14      19.9770      0.00000
     15      25.0755      0.00000
     16      26.2232      0.00000

 k-point    82 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2745      2.00000
      3       5.5105      2.00000
      4       5.5947      2.00000
      5       8.3048      0.00000
      6       9.2379      0.00000
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      8      10.4058      0.00000
      9      12.9240      0.00000
     10      13.9673      0.00000
     11      14.7338      0.00000
     12      17.6200      0.00000
     13      17.6827      0.00000
     14      18.0163      0.00000
     15      22.6410      0.00000
     16      27.8658      0.00000

 k-point    83 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6524      2.00000
      2       3.9314      2.00000
      3       5.0950      2.00000
      4       5.3327      2.00000
      5       8.3459      0.00000
      6       9.5263      0.00000
      7       9.8608      0.00000
      8      11.1799      0.00000
      9      12.7751      0.00000
     10      13.8993      0.00000
     11      15.5746      0.00000
     12      17.2570      0.00000
     13      18.5108      0.00000
     14      19.4745      0.00000
     15      23.9969      0.00000
     16      25.7452      0.00000

 k-point    84 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1842      2.00000
      2       2.2822      2.00000
      3       4.7681      2.00000
      4       4.9256      2.00000
      5       8.4680      0.00000
      6       9.5116      0.00000
      7      10.2200      0.00000
      8      11.5061      0.00000
      9      13.9644      0.00000
     10      14.0664      0.00000
     11      15.6982      0.00000
     12      18.1375      0.00000
     13      20.0590      0.00000
     14      21.3094      0.00000
     15      23.3284      0.00000
     16      23.9415      0.00000

 k-point    85 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5373      2.00000
      2       0.7286      2.00000
      3       4.5313      2.00000
      4       4.5820      2.00000
      5       8.3212      0.00000
      6       9.4660      0.00000
      7      10.1258      0.00000
      8      12.3583      0.00000
      9      14.9910      0.00000
     10      14.9960      0.00000
     11      15.8085      0.00000
     12      19.8462      0.00000
     13      19.9335      0.00000
     14      21.5104      0.00000
     15      23.1411      0.00000
     16      23.7538      0.00000

 k-point    86 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.8291      2.00000
      2      -0.5187      2.00000
      3       4.2327      2.00000
      4       4.5488      2.00000
      5       8.1812      0.00000
      6       9.3755      0.00000
      7       9.8580      0.00000
      8      13.6477      0.00000
      9      14.8850      0.00000
     10      16.4333      0.00000
     11      17.3204      0.00000
     12      17.9498      0.00000
     13      18.8982      0.00000
     14      21.5364      0.00000
     15      23.9078      0.00000
     16      25.3647      0.00000

 k-point    87 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.5298      2.00000
      2      -0.9568      2.00000
      3       4.0617      2.00000
      4       4.6618      2.00000
      5       8.1559      0.00000
      6       9.4102      0.00000
      7       9.6538      0.00000
      8      14.1933      0.00000
      9      15.5916      0.00000
     10      15.7290      0.00000
     11      17.2131      0.00000
     12      18.5183      0.00000
     13      19.0345      0.00000
     14      20.1577      0.00000
     15      25.3461      0.00000
     16      26.5169      0.00000

 k-point    88 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.0441      2.00000
      2      -0.1749      2.00000
      3       4.0373      2.00000
      4       4.9028      2.00000
      5       8.2585      0.00000
      6       9.5741      0.00000
      7       9.6022      0.00000
      8      13.8414      0.00000
      9      14.0356      0.00000
     10      15.3355      0.00000
     11      17.7199      0.00000
     12      18.3522      0.00000
     13      20.5757      0.00000
     14      20.9866      0.00000
     15      23.0918      0.00000
     16      24.5247      0.00000

 k-point    89 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7581      2.00000
      2       1.1982      2.00000
      3       4.1748      2.00000
      4       5.2415      2.00000
      5       8.4764      0.00000
      6       9.5214      0.00000
      7       9.8361      0.00000
      8      12.7951      0.00000
      9      12.7991      0.00000
     10      15.4826      0.00000
     11      16.0085      0.00000
     12      19.2157      0.00000
     13      20.5156      0.00000
     14      22.3008      0.00000
     15      22.3416      0.00000
     16      24.0033      0.00000

 k-point    90 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3544      2.00000
      2       2.7891      2.00000
      3       4.4914      2.00000
      4       5.6201      2.00000
      5       8.7742      0.00000
      6       9.2447      0.00000
      7       9.7206      0.00000
      8      12.0210      0.00000
      9      12.3577      0.00000
     10      14.4843      0.00000
     11      15.8759      0.00000
     12      17.5769      0.00000
     13      19.3502      0.00000
     14      21.2351      0.00000
     15      23.7342      0.00000
     16      24.7692      0.00000

 k-point    91 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7577      2.00000
      2       4.2883      2.00000
      3       5.0746      2.00000
      4       5.9030      2.00000
      5       8.8280      0.00000
      6       8.9889      0.00000
      7       9.1429      0.00000
      8      11.3576      0.00000
      9      12.7255      0.00000
     10      13.6888      0.00000
     11      15.2817      0.00000
     12      17.2360      0.00000
     13      17.9814      0.00000
     14      19.4599      0.00000
     15      23.3966      0.00000
     16      26.2433      0.00000

 k-point    92 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2770      2.00000
      3       5.5504      2.00000
      4       5.5534      2.00000
      5       8.3038      0.00000
      6       9.3067      0.00000
      7       9.3330      0.00000
      8      10.4209      0.00000
      9      12.9278      0.00000
     10      13.9650      0.00000
     11      14.7320      0.00000
     12      17.6493      0.00000
     13      17.6502      0.00000
     14      18.0186      0.00000
     15      22.6432      0.00000
     16      27.8729      0.00000

 k-point    93 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7637      2.00000
      2       4.2685      2.00000
      3       5.0420      2.00000
      4       5.9169      2.00000
      5       8.8744      0.00000
      6       9.1193      0.00000
      7       9.1620      0.00000
      8      11.2658      0.00000
      9      12.7791      0.00000
     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2280      0.00000
     13      17.9568      0.00000
     14      19.4165      0.00000
     15      23.3440      0.00000
     16      25.9121      0.00000

 k-point    94 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3633      2.00000
      2       2.8089      2.00000
      3       4.4268      2.00000
      4       5.6230      2.00000
      5       8.8162      0.00000
      6       9.3633      0.00000
      7       9.7203      0.00000
      8      12.0646      0.00000
      9      12.4342      0.00000
     10      14.3378      0.00000
     11      15.8443      0.00000
     12      17.5426      0.00000
     13      19.3530      0.00000
     14      21.1688      0.00000
     15      23.4138      0.00000
     16      24.7645      0.00000

 k-point    95 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2189      2.00000
      3       4.1248      2.00000
      4       5.2407      2.00000
      5       8.5160      0.00000
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      8      12.8312      0.00000
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     10      15.4433      0.00000
     11      15.7683      0.00000
     12      19.1368      0.00000
     13      20.4209      0.00000
     14      22.2356      0.00000
     15      22.3244      0.00000
     16      24.1241      0.00000

 k-point    96 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.0559      2.00000
      2      -0.1594      2.00000
      3       4.0100      2.00000
      4       4.9035      2.00000
      5       8.2891      0.00000
      6       9.5290      0.00000
      7       9.6776      0.00000
      8      13.9145      0.00000
      9      14.1766      0.00000
     10      15.3245      0.00000
     11      17.4203      0.00000
     12      18.1363      0.00000
     13      20.6553      0.00000
     14      21.1455      0.00000
     15      23.1214      0.00000
     16      24.5656      0.00000

 k-point    97 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5343      2.00000
      2      -0.9550      2.00000
      3       4.0588      2.00000
      4       4.6679      2.00000
      5       8.1782      0.00000
      6       9.3258      0.00000
      7       9.7415      0.00000
      8      14.1504      0.00000
      9      15.4618      0.00000
     10      15.8631      0.00000
     11      17.2679      0.00000
     12      18.5984      0.00000
     13      18.9436      0.00000
     14      20.1102      0.00000
     15      25.3612      0.00000
     16      26.5462      0.00000

 k-point    98 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.8223      2.00000
      2      -0.5343      2.00000
      3       4.2530      2.00000
      4       4.5631      2.00000
      5       8.1974      0.00000
      6       9.2701      0.00000
      7       9.9345      0.00000
      8      13.4367      0.00000
      9      14.8423      0.00000
     10      16.5200      0.00000
     11      17.4922      0.00000
     12      18.0906      0.00000
     13      19.0292      0.00000
     14      21.2339      0.00000
     15      23.9075      0.00000
     16      25.3687      0.00000

 k-point    99 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.5295      2.00000
      2       0.7061      2.00000
      3       4.5684      2.00000
      4       4.6064      2.00000
      5       8.3354      0.00000
      6       9.3243      0.00000
      7      10.1966      0.00000
      8      12.1629      0.00000
      9      14.9475      0.00000
     10      15.0900      0.00000
     11      15.9424      0.00000
     12      19.9012      0.00000
     13      20.0878      0.00000
     14      21.5367      0.00000
     15      23.1998      0.00000
     16      23.6537      0.00000

 k-point   100 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.1784      2.00000
      2       2.2579      2.00000
      3       4.7997      2.00000
      4       4.9698      2.00000
      5       8.4819      0.00000
      6       9.3084      0.00000
      7      10.2955      0.00000
      8      11.4015      0.00000
      9      13.9942      0.00000
     10      14.1681      0.00000
     11      15.6765      0.00000
     12      18.1810      0.00000
     13      20.0852      0.00000
     14      21.3307      0.00000
     15      23.4590      0.00000
     16      24.1394      0.00000

 k-point   101 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6494      2.00000
      2       3.9130      2.00000
      3       5.1332      2.00000
      4       5.3533      2.00000
      5       8.3253      0.00000
      6       9.3394      0.00000
      7       9.9438      0.00000
      8      11.1935      0.00000
      9      12.8065      0.00000
     10      13.9011      0.00000
     11      15.5783      0.00000
     12      17.2534      0.00000
     13      18.5478      0.00000
     14      19.4801      0.00000
     15      24.0226      0.00000
     16      25.8694      0.00000

 k-point   102 :       0.0000    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.6583      2.00000
      2       3.8670      2.00000
      3       5.1540      2.00000
      4       5.3449      2.00000
      5       8.3718      0.00000
      6       9.5520      0.00000
      7       9.9129      0.00000
      8      11.1399      0.00000
      9      12.7789      0.00000
     10      13.9402      0.00000
     11      15.5372      0.00000
     12      17.2412      0.00000
     13      18.4865      0.00000
     14      19.4110      0.00000
     15      23.9587      0.00000
     16      25.5512      0.00000

 k-point   103 :       0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.7695      2.00000
      2       4.2546      2.00000
      3       5.0017      2.00000
      4       5.9348      2.00000
      5       9.0514      0.00000
      6       9.0960      0.00000
      7       9.1983      0.00000
      8      11.1751      0.00000
      9      12.8365      0.00000
     10      13.6739      0.00000
     11      15.1868      0.00000
     12      17.2189      0.00000
     13      17.9248      0.00000
     14      19.3790      0.00000
     15      23.2943      0.00000
     16      25.5814      0.00000

 k-point   104 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4533      2.00000
      2      -0.7240      2.00000
      3       3.2569      2.00000
      4       4.2841      2.00000
      5       8.7925      0.00000
      6       9.1502      0.00000
      7      10.7813      0.00000
      8      13.2965      0.00000
      9      14.8481      0.00000
     10      16.0729      0.00000
     11      17.4937      0.00000
     12      18.9802      0.00000
     13      19.7682      0.00000
     14      21.6198      0.00000
     15      24.1655      0.00000
     16      25.9743      0.00000

 k-point   105 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1078      2.00000
      2       0.3066      2.00000
      3       3.3448      2.00000
      4       4.5175      2.00000
      5       8.8028      0.00000
      6       9.3855      0.00000
      7      10.8649      0.00000
      8      11.7971      0.00000
      9      14.9154      0.00000
     10      15.9243      0.00000
     11      17.8348      0.00000
     12      18.1671      0.00000
     13      20.7323      0.00000
     14      21.6466      0.00000
     15      23.1959      0.00000
     16      24.1356      0.00000

 k-point   106 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7961      2.00000
      2       1.6951      2.00000
      3       3.5933      2.00000
      4       4.8912      2.00000
      5       8.7503      0.00000
      6       9.6426      0.00000
      7      10.7381      0.00000
      8      11.0093      0.00000
      9      13.7766      0.00000
     10      16.0893      0.00000
     11      16.4723      0.00000
     12      18.5872      0.00000
     13      20.1557      0.00000
     14      21.5737      0.00000
     15      22.3276      0.00000
     16      24.5163      0.00000

 k-point   107 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3288      2.00000
      2       3.0305      2.00000
      3       4.1784      2.00000
      4       5.2286      2.00000
      5       8.4036      0.00000
      6       9.7810      0.00000
      7      10.5026      0.00000
      8      10.8643      0.00000
      9      13.2077      0.00000
     10      14.5834      0.00000
     11      16.4274      0.00000
     12      17.6580      0.00000
     13      18.8610      0.00000
     14      20.8106      0.00000
     15      23.4184      0.00000
     16      25.1050      0.00000

 k-point   108 :      -0.0000    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.2028      2.00000
      2       2.2157      2.00000
      3       4.8386      2.00000
      4       4.9733      2.00000
      5       8.5359      0.00000
      6       9.5270      0.00000
      7      10.2582      0.00000
      8      11.4970      0.00000
      9      13.9360      0.00000
     10      14.1706      0.00000
     11      15.7370      0.00000
     12      17.9740      0.00000
     13      19.9512      0.00000
     14      21.1830      0.00000
     15      23.1918      0.00000
     16      23.9292      0.00000

 k-point   109 :       0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3812      2.00000
      2       2.7579      2.00000
      3       4.4429      2.00000
      4       5.6577      2.00000
      5       8.9488      0.00000
      6       9.4477      0.00000
      7       9.7098      0.00000
      8      12.0733      0.00000
      9      12.5154      0.00000
     10      14.2867      0.00000
     11      15.8399      0.00000
     12      17.4240      0.00000
     13      19.2416      0.00000
     14      21.0678      0.00000
     15      23.1343      0.00000
     16      24.6867      0.00000

 k-point   110 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0305      2.00000
      3       4.1437      2.00000
      4       5.2366      2.00000
      5       8.4645      0.00000
      6       9.8976      0.00000
      7      10.5409      0.00000
      8      10.8680      0.00000
      9      13.2279      0.00000
     10      14.5233      0.00000
     11      16.3756      0.00000
     12      17.6655      0.00000
     13      18.7852      0.00000
     14      20.7174      0.00000
     15      23.1246      0.00000
     16      25.1168      0.00000

 k-point   111 :      -0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.8121      2.00000
      2       1.6667      2.00000
      3       3.6297      2.00000
      4       4.9091      2.00000
      5       8.7135      0.00000
      6       9.7626      0.00000
      7      10.8675      0.00000
      8      10.9722      0.00000
      9      13.6281      0.00000
     10      16.1869      0.00000
     11      16.6097      0.00000
     12      18.4226      0.00000
     13      20.0299      0.00000
     14      21.5529      0.00000
     15      22.1463      0.00000
     16      24.1877      0.00000

 k-point   112 :       0.0000    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.5776      2.00000
      2       0.6859      2.00000
      3       4.5938      2.00000
      4       4.6586      2.00000
      5       8.4280      0.00000
      6       9.4887      0.00000
      7      10.1803      0.00000
      8      12.3088      0.00000
      9      14.9791      0.00000
     10      15.1134      0.00000
     11      15.8626      0.00000
     12      19.5859      0.00000
     13      19.8313      0.00000
     14      21.3592      0.00000
     15      23.0442      0.00000
     16      23.6399      0.00000

 k-point   113 :       0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.8071      2.00000
      2       1.1808      2.00000
      3       4.1656      2.00000
      4       5.2915      2.00000
      5       8.6600      0.00000
      6       9.7092      0.00000
      7       9.7854      0.00000
      8      12.9700      0.00000
      9      12.9922      0.00000
     10      15.4895      0.00000
     11      15.6889      0.00000
     12      18.8739      0.00000
     13      20.1918      0.00000
     14      22.0834      0.00000
     15      22.1784      0.00000
     16      24.1309      0.00000

 k-point   114 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.8265      2.00000
      2       1.6847      2.00000
      3       3.5936      2.00000
      4       4.9102      2.00000
      5       8.7965      0.00000
      6       9.7844      0.00000
      7      10.8529      0.00000
      8      11.0484      0.00000
      9      13.7965      0.00000
     10      15.9869      0.00000
     11      16.5190      0.00000
     12      18.4146      0.00000
     13      19.9412      0.00000
     14      21.3812      0.00000
     15      22.1529      0.00000
     16      24.3625      0.00000

 k-point   115 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6332      2.00000
      2       1.7564      2.00000
      3       3.4242      2.00000
      4       4.1782      2.00000
      5       7.8723      0.00000
      6       9.4184      0.00000
      7      11.2083      0.00000
      8      12.2229      0.00000
      9      14.7588      0.00000
     10      16.1124      0.00000
     11      17.6488      0.00000
     12      18.7069      0.00000
     13      19.9113      0.00000
     14      21.4297      0.00000
     15      21.4304      0.00000
     16      23.8700      0.00000

 k-point   116 :      -0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5499      2.00000
      2      -0.0575      2.00000
      3       2.2231      2.00000
      4       4.1189      2.00000
      5       8.9272      0.00000
      6       9.8857      0.00000
      7      11.7248      0.00000
      8      12.3967      0.00000
      9      14.5414      0.00000
     10      14.9917      0.00000
     11      18.6686      0.00000
     12      20.4553      0.00000
     13      20.6637      0.00000
     14      21.2677      0.00000
     15      23.8853      0.00000
     16      24.3058      0.00000

 k-point   117 :      -0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1495      2.00000
      2       0.2980      2.00000
      3       3.3733      2.00000
      4       4.5723      2.00000
      5       8.7762      0.00000
      6       9.4825      0.00000
      7      10.9733      0.00000
      8      11.8962      0.00000
      9      14.6738      0.00000
     10      16.0613      0.00000
     11      18.0103      0.00000
     12      18.1396      0.00000
     13      20.2429      0.00000
     14      21.4646      0.00000
     15      23.0117      0.00000
     16      24.2328      0.00000

 k-point   118 :      -0.0000    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9045      2.00000
      2      -0.5212      2.00000
      3       4.3006      2.00000
      4       4.6234      2.00000
      5       8.3070      0.00000
      6       9.4120      0.00000
      7       9.9337      0.00000
      8      13.5830      0.00000
      9      14.9337      0.00000
     10      16.4478      0.00000
     11      17.3701      0.00000
     12      17.8878      0.00000
     13      18.8145      0.00000
     14      21.2741      0.00000
     15      23.7051      0.00000
     16      25.1931      0.00000

 k-point   119 :       0.0909    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1242      2.00000
      2      -0.1662      2.00000
      3       4.0646      2.00000
      4       4.9664      2.00000
      5       8.4366      0.00000
      6       9.5571      0.00000
      7       9.7574      0.00000
      8      14.0155      0.00000
      9      14.1887      0.00000
     10      15.3509      0.00000
     11      17.3163      0.00000
     12      17.9333      0.00000
     13      20.6277      0.00000
     14      20.8959      0.00000
     15      23.0065      0.00000
     16      24.3863      0.00000

 k-point   120 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1654      2.00000
      2       0.3128      2.00000
      3       3.3633      2.00000
      4       4.5608      2.00000
      5       8.8633      0.00000
      6       9.4899      0.00000
      7      10.9663      0.00000
      8      11.9240      0.00000
      9      14.9030      0.00000
     10      15.9324      0.00000
     11      17.7296      0.00000
     12      17.9842      0.00000
     13      20.4375      0.00000
     14      21.4965      0.00000
     15      23.0262      0.00000
     16      24.2320      0.00000

 k-point   121 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0140      2.00000
      2       0.6568      2.00000
      3       2.8554      2.00000
      4       3.8556      2.00000
      5       8.2322      0.00000
      6       9.8341      0.00000
      7      10.9148      0.00000
      8      12.6173      0.00000
      9      15.6381      0.00000
     10      16.7714      0.00000
     11      17.9982      0.00000
     12      18.6722      0.00000
     13      20.3662      0.00000
     14      21.0032      0.00000
     15      22.5202      0.00000
     16      24.4531      0.00000

 k-point   122 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6667      2.00000
      2       0.3811      2.00000
      3       2.9525      2.00000
      4       3.3391      2.00000
      5       7.4809      0.00000
      6       8.3372      0.00000
      7      12.6471      0.00000
      8      13.9888      0.00000
      9      16.4052      0.00000
     10      17.3015      0.00000
     11      17.9802      0.00000
     12      19.4942      0.00000
     13      20.3873      0.00000
     14      21.0663      0.00000
     15      22.3992      0.00000
     16      23.2016      0.00000

 k-point   123 :      -0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4820      2.00000
      2      -0.9813      2.00000
      3       1.7450      2.00000
      4       3.3140      2.00000
      5       8.0155      0.00000
      6      10.7419      0.00000
      7      11.8591      0.00000
      8      13.5156      0.00000
      9      14.3815      0.00000
     10      16.1818      0.00000
     11      19.1929      0.00000
     12      20.6891      0.00000
     13      22.1188      0.00000
     14      22.3714      0.00000
     15      23.3598      0.00000
     16      24.5177      0.00000

 k-point   124 :      -0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.0463      2.00000
      2      -0.7506      2.00000
      3       2.2315      2.00000
      4       3.8276      2.00000
      5       8.5453      0.00000
      6      10.0943      0.00000
      7      12.4981      0.00000
      8      12.9739      0.00000
      9      13.4622      0.00000
     10      16.0572      0.00000
     11      18.3575      0.00000
     12      19.2000      0.00000
     13      22.0961      0.00000
     14      22.5366      0.00000
     15      23.5277      0.00000
     16      24.6881      0.00000

 k-point   125 :      -0.0909   -0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5328      2.00000
      2      -0.6944      2.00000
      3       3.2706      2.00000
      4       4.3678      2.00000
      5       8.7889      0.00000
      6       9.2279      0.00000
      7      10.9055      0.00000
      8      13.4084      0.00000
      9      14.9828      0.00000
     10      15.9263      0.00000
     11      17.2947      0.00000
     12      18.6292      0.00000
     13      19.9212      0.00000
     14      21.7317      0.00000
     15      23.9254      0.00000
     16      25.7018      0.00000

 k-point   126 :      -0.0000   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9306      2.00000
      3       4.1269      2.00000
      4       4.7308      2.00000
      5       8.2918      0.00000
      6       9.4474      0.00000
      7       9.7426      0.00000
      8      14.2559      0.00000
      9      15.4949      0.00000
     10      15.7499      0.00000
     11      17.1642      0.00000
     12      18.4588      0.00000
     13      19.0345      0.00000
     14      19.9767      0.00000
     15      25.0770      0.00000
     16      26.2235      0.00000

 k-point   127 :       0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.6352      2.00000
      2      -0.9291      2.00000
      3       4.1209      2.00000
      4       4.7398      2.00000
      5       8.3218      0.00000
      6       9.3611      0.00000
      7       9.8258      0.00000
      8      14.2025      0.00000
      9      15.4068      0.00000
     10      15.8540      0.00000
     11      17.2184      0.00000
     12      18.6132      0.00000
     13      18.8544      0.00000
     14      19.9429      0.00000
     15      25.0847      0.00000
     16      26.2530      0.00000

 k-point   128 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5452      2.00000
      2      -0.6894      2.00000
      3       3.2883      2.00000
      4       4.3464      2.00000
      5       8.8758      0.00000
      6       9.2280      0.00000
      7      10.8837      0.00000
      8      13.4224      0.00000
      9      14.7630      0.00000
     10      16.0555      0.00000
     11      17.4018      0.00000
     12      18.8155      0.00000
     13      19.6192      0.00000
     14      21.7182      0.00000
     15      23.9746      0.00000
     16      25.7189      0.00000

 k-point   129 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.3367      2.00000
      2      -0.3797      2.00000
      3       2.4879      2.00000
      4       3.7001      2.00000
      5       8.3605      0.00000
      6      10.4529      0.00000
      7      11.2834      0.00000
      8      12.5666      0.00000
      9      15.0236      0.00000
     10      16.9834      0.00000
     11      17.9831      0.00000
     12      19.2525      0.00000
     13      19.9255      0.00000
     14      22.6305      0.00000
     15      24.2024      0.00000
     16      24.7688      0.00000

 k-point   130 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9838      2.00000
      2      -0.4477      2.00000
      3       2.2923      2.00000
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     10      17.4905      0.00000
     11      18.3200      0.00000
     12      20.0001      0.00000
     13      20.8198      0.00000
     14      21.4002      0.00000
     15      23.4193      0.00000
     16      23.9499      0.00000

 k-point   131 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4757      2.00000
      2      -1.0499      2.00000
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     10      17.5969      0.00000
     11      18.3068      0.00000
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     13      19.9432      0.00000
     14      21.8780      0.00000
     15      22.9712      0.00000
     16      24.3616      0.00000

 k-point   132 :      -0.2727    0.5455    0.0909
  band No.  band energies     occupation 
      1      -2.9590      2.00000
      2      -0.4743      2.00000
      3       2.2734      2.00000
      4       3.2011      2.00000
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     10      17.2963      0.00000
     11      18.1460      0.00000
     12      20.2476      0.00000
     13      20.9085      0.00000
     14      21.4239      0.00000
     15      23.3637      0.00000
     16      23.8825      0.00000

 k-point   133 :      -0.1818    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.3176      2.00000
      2      -0.3913      2.00000
      3       2.4585      2.00000
      4       3.7392      2.00000
      5       8.3152      0.00000
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     10      16.7625      0.00000
     11      17.8283      0.00000
     12      19.2051      0.00000
     13      20.2276      0.00000
     14      22.5799      0.00000
     15      24.3005      0.00000
     16      24.8293      0.00000

 k-point   134 :      -0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5329      2.00000
      2      -0.6942      2.00000
      3       3.2708      2.00000
      4       4.3675      2.00000
      5       8.7892      0.00000
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     10      15.9255      0.00000
     11      17.2949      0.00000
     12      18.6295      0.00000
     13      19.9193      0.00000
     14      21.7339      0.00000
     15      23.9274      0.00000
     16      25.7021      0.00000

 k-point   135 :      -0.0000   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1130      2.00000
      2      -0.1807      2.00000
      3       4.0941      2.00000
      4       4.9627      2.00000
      5       8.3977      0.00000
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     10      15.3788      0.00000
     11      17.6133      0.00000
     12      18.1415      0.00000
     13      20.4414      0.00000
     14      20.8533      0.00000
     15      22.9761      0.00000
     16      24.3467      0.00000

 k-point   136 :       0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.8985      2.00000
      2      -0.5361      2.00000
      3       4.3167      2.00000
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      5       8.3307      0.00000
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     10      16.5685      0.00000
     11      17.5424      0.00000
     12      18.0143      0.00000
     13      18.9186      0.00000
     14      20.9798      0.00000
     15      23.6999      0.00000
     16      25.2086      0.00000

 k-point   137 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.5331      2.00000
      2      -0.7076      2.00000
      3       3.3051      2.00000
      4       4.3491      2.00000
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     10      16.0551      0.00000
     11      17.4160      0.00000
     12      18.8752      0.00000
     13      19.9042      0.00000
     14      21.4041      0.00000
     15      23.9404      0.00000
     16      25.7303      0.00000

 k-point   138 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.0540      2.00000
      2      -0.7567      2.00000
      3       2.2658      2.00000
      4       3.7986      2.00000
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     10      16.2350      0.00000
     11      18.4525      0.00000
     12      19.3619      0.00000
     13      21.7683      0.00000
     14      22.5100      0.00000
     15      23.4944      0.00000
     16      24.6164      0.00000

 k-point   139 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4970      2.00000
      2      -0.9707      2.00000
      3       1.7614      2.00000
      4       3.2950      2.00000
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     10      16.3414      0.00000
     11      19.4529      0.00000
     12      20.5911      0.00000
     13      21.7971      0.00000
     14      22.2361      0.00000
     15      23.4389      0.00000
     16      24.6910      0.00000

 k-point   140 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.9277      2.00000
      2      -1.5375      2.00000
      3       2.0769      2.00000
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     10      16.5635      0.00000
     11      19.2664      0.00000
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     13      21.7861      0.00000
     14      22.5987      0.00000
     15      22.9648      0.00000
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 k-point   141 :      -0.4545   -0.3636   -0.9091
  band No.  band energies     occupation 
      1      -2.4162      2.00000
      2      -1.1183      2.00000
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     14      21.5158      0.00000
     15      22.6993      0.00000
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 k-point   142 :      -0.1818   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.9941      2.00000
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      3       2.8492      2.00000
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     14      20.9932      0.00000
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 k-point   143 :      -0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1496      2.00000
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     11      18.0087      0.00000
     12      18.1388      0.00000
     13      20.2434      0.00000
     14      21.4655      0.00000
     15      23.0133      0.00000
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 k-point   144 :       0.0000   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7963      2.00000
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     10      15.5360      0.00000
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     14      22.1432      0.00000
     15      22.1825      0.00000
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 k-point   145 :       0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5703      2.00000
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     14      21.3750      0.00000
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 k-point   146 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1459      2.00000
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      3       3.4093      2.00000
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     15      22.9882      0.00000
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 k-point   147 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5497      2.00000
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     14      21.3466      0.00000
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 k-point   148 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.8549      2.00000
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      3       1.6502      2.00000
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     14      22.8827      0.00000
     15      22.9142      0.00000
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 k-point   149 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.4173      2.00000
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     10      16.3281      0.00000
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     15      23.5923      0.00000
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 k-point   150 :       0.5455   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9037      2.00000
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      3       2.3012      2.00000
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     10      17.3475      0.00000
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     14      21.4136      0.00000
     15      23.2746      0.00000
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 k-point   151 :      -0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6189      2.00000
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      3       2.9705      2.00000
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     11      18.3427      0.00000
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     14      20.9619      0.00000
     15      22.5218      0.00000
     16      23.0459      0.00000

 k-point   152 :      -0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.8122      2.00000
      2       1.6668      2.00000
      3       3.6303      2.00000
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     10      16.1855      0.00000
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     13      20.0296      0.00000
     14      21.5525      0.00000
     15      22.1460      0.00000
     16      24.1873      0.00000

 k-point   153 :      -0.0000   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3727      2.00000
      2       2.7381      2.00000
      3       4.5093      2.00000
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     10      14.4201      0.00000
     11      15.8773      0.00000
     12      17.4638      0.00000
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     14      21.1268      0.00000
     15      23.4475      0.00000
     16      24.6807      0.00000

 k-point   154 :       0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.1974      2.00000
      2       2.1916      2.00000
      3       4.8754      2.00000
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     14      21.2031      0.00000
     15      23.3899      0.00000
     16      24.0535      0.00000

 k-point   155 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6455      2.00000
      3       3.6568      2.00000
      4       4.9192      2.00000
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     10      16.1816      0.00000
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     13      20.0553      0.00000
     14      21.5767      0.00000
     15      22.2164      0.00000
     16      24.4015      0.00000

 k-point   156 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2303      2.00000
      2       0.9446      2.00000
      3       2.6024      2.00000
      4       4.5283      2.00000
      5       9.3724      0.00000
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     10      16.6943      0.00000
     11      18.2963      0.00000
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     14      22.0911      0.00000
     15      22.4805      0.00000
     16      25.0624      0.00000

 k-point   157 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5231      2.00000
      2      -0.0520      2.00000
      3       2.1941      2.00000
      4       4.0949      2.00000
      5       8.9080      0.00000
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     10      14.9633      0.00000
     11      18.5452      0.00000
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     14      21.4060      0.00000
     15      24.0625      0.00000
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 k-point   158 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -2.9695      2.00000
      2      -0.7971      2.00000
      3       2.2136      2.00000
      4       3.7928      2.00000
      5       8.5165      0.00000
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     10      16.1750      0.00000
     11      18.3025      0.00000
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     13      22.2815      0.00000
     14      22.3461      0.00000
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 k-point   159 :       0.5455   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.2414      2.00000
      2      -0.4482      2.00000
      3       2.4639      2.00000
      4       3.7057      2.00000
      5       8.2853      0.00000
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     10      16.7825      0.00000
     11      17.9262      0.00000
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     13      20.3816      0.00000
     14      22.7393      0.00000
     15      24.1349      0.00000
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 k-point   160 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.9509      2.00000
      2       0.5994      2.00000
      3       2.8730      2.00000
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      5       8.1490      0.00000
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     10      17.0758      0.00000
     11      18.3799      0.00000
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     13      20.4420      0.00000
     14      21.0557      0.00000
     15      22.7559      0.00000
     16      24.5050      0.00000

 k-point   161 :      -0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.5975      2.00000
      2       1.7145      2.00000
      3       3.4711      2.00000
      4       4.2013      2.00000
      5       7.7849      0.00000
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     10      16.3925      0.00000
     11      17.7700      0.00000
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     13      20.1731      0.00000
     14      21.6317      0.00000
     15      21.8076      0.00000
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 k-point   162 :       0.0909   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6556      2.00000
      2       3.8465      2.00000
      3       5.1977      2.00000
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     10      13.9450      0.00000
     11      15.5460      0.00000
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     13      18.5283      0.00000
     14      19.4145      0.00000
     15      23.9780      0.00000
     16      25.7429      0.00000

 k-point   163 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0277      2.00000
      3       4.1815      2.00000
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      9      13.2035      0.00000
     10      14.5855      0.00000
     11      16.4309      0.00000
     12      17.6575      0.00000
     13      18.8574      0.00000
     14      20.8134      0.00000
     15      23.4207      0.00000
     16      25.1174      0.00000

 k-point   164 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7151      2.00000
      3       3.5687      2.00000
      4       4.8766      2.00000
      5       8.6882      0.00000
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      8      11.0010      0.00000
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     10      16.0938      0.00000
     11      16.5255      0.00000
     12      18.5440      0.00000
     13      20.1318      0.00000
     14      21.5494      0.00000
     15      22.2742      0.00000
     16      24.2975      0.00000

 k-point   165 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1121      2.00000
      2       0.3288      2.00000
      3       3.3090      2.00000
      4       4.5179      2.00000
      5       8.7125      0.00000
      6       9.4414      0.00000
      7      10.9032      0.00000
      8      11.9799      0.00000
      9      14.7532      0.00000
     10      15.9394      0.00000
     11      17.8441      0.00000
     12      18.1615      0.00000
     13      20.4812      0.00000
     14      21.6211      0.00000
     15      23.2189      0.00000
     16      24.3650      0.00000

 k-point   166 :      -0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.4540      2.00000
      2      -0.7102      2.00000
      3       3.2208      2.00000
      4       4.3026      2.00000
      5       8.7047      0.00000
      6       9.1754      0.00000
      7      10.8082      0.00000
      8      13.5281      0.00000
      9      14.8618      0.00000
     10      15.9632      0.00000
     11      17.3608      0.00000
     12      18.7312      0.00000
     13      19.7771      0.00000
     14      21.9536      0.00000
     15      24.1515      0.00000
     16      25.9462      0.00000

 k-point   167 :       0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.4408      2.00000
      2      -0.7296      2.00000
      3       3.2376      2.00000
      4       4.3061      2.00000
      5       8.7117      0.00000
      6       9.1541      0.00000
      7      10.7951      0.00000
      8      13.2859      0.00000
      9      15.0518      0.00000
     10      15.9691      0.00000
     11      17.3833      0.00000
     12      18.7911      0.00000
     13      20.0624      0.00000
     14      21.6366      0.00000
     15      24.1163      0.00000
     16      25.9585      0.00000

 k-point   168 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.0917      2.00000
      2       0.2909      2.00000
      3       3.3552      2.00000
      4       4.5286      2.00000
      5       8.7199      0.00000
      6       9.3839      0.00000
      7      10.8665      0.00000
      8      11.7701      0.00000
      9      14.6896      0.00000
     10      16.0344      0.00000
     11      18.1235      0.00000
     12      18.3317      0.00000
     13      20.5279      0.00000
     14      21.6161      0.00000
     15      23.1849      0.00000
     16      24.1441      0.00000

 k-point   169 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7817      2.00000
      2       1.6763      2.00000
      3       3.6311      2.00000
      4       4.8892      2.00000
      5       8.6722      0.00000
      6       9.6268      0.00000
      7      10.7502      0.00000
      8      10.9295      0.00000
      9      13.6015      0.00000
     10      16.3018      0.00000
     11      16.5582      0.00000
     12      18.5880      0.00000
     13      20.2366      0.00000
     14      21.7583      0.00000
     15      22.3334      0.00000
     16      24.3452      0.00000

 k-point   170 :      -0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3170      2.00000
      2       3.0309      2.00000
      3       4.2137      2.00000
      4       5.2202      2.00000
      5       8.3487      0.00000
      6       9.6822      0.00000
      7      10.4480      0.00000
      8      10.8523      0.00000
      9      13.1749      0.00000
     10      14.6641      0.00000
     11      16.4768      0.00000
     12      17.6505      0.00000
     13      18.9288      0.00000
     14      20.9099      0.00000
     15      23.7153      0.00000
     16      25.1205      0.00000

 k-point   171 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4701      2.00000
      2       3.7747      2.00000
      3       4.6390      2.00000
      4       4.7637      2.00000
      5       7.6461      0.00000
      6      10.2595      0.00000
      7      10.6533      0.00000
      8      10.7675      0.00000
      9      13.0303      0.00000
     10      14.4548      0.00000
     11      16.2422      0.00000
     12      18.3592      0.00000
     13      18.4345      0.00000
     14      19.0090      0.00000
     15      25.1477      0.00000
     16      25.4118      0.00000

 k-point   172 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0730      2.00000
      2       2.6162      2.00000
      3       4.2847      2.00000
      4       4.2960      2.00000
      5       7.7027      0.00000
      6       9.8215      0.00000
      7      11.0398      0.00000
      8      11.2584      0.00000
      9      14.2944      0.00000
     10      14.7660      0.00000
     11      17.0136      0.00000
     12      18.3749      0.00000
     13      19.3132      0.00000
     14      20.6676      0.00000
     15      23.3012      0.00000
     16      23.8151      0.00000

 k-point   173 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.4825      2.00000
      2       1.2169      2.00000
      3       3.7203      2.00000
      4       4.0861      2.00000
      5       7.9050      0.00000
      6      10.2557      0.00000
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      8      11.3201      0.00000
      9      15.5920      0.00000
     10      16.0055      0.00000
     11      16.7047      0.00000
     12      19.5984      0.00000
     13      19.6939      0.00000
     14      21.3945      0.00000
     15      22.2283      0.00000
     16      23.6412      0.00000

 k-point   174 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.7692      2.00000
      2      -0.0705      2.00000
      3       3.2280      2.00000
      4       4.0597      2.00000
      5       7.9224      0.00000
      6      10.5734      0.00000
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      9      16.0653      0.00000
     10      16.9241      0.00000
     11      17.7900      0.00000
     12      17.8837      0.00000
     13      19.0613      0.00000
     14      22.5370      0.00000
     15      24.0167      0.00000
     16      24.5827      0.00000

 k-point   175 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.2398      2.00000
      2      -0.8398      2.00000
      3       2.8913      2.00000
      4       4.2034      2.00000
      5       8.0262      0.00000
      6      10.4211      0.00000
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      8      13.2495      0.00000
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     10      15.6180      0.00000
     11      17.7038      0.00000
     12      18.9569      0.00000
     13      19.8174      0.00000
     14      22.3486      0.00000
     15      25.1556      0.00000
     16      25.4401      0.00000

 k-point   176 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.5327      2.00000
      2      -0.4255      2.00000
      3       2.7452      2.00000
      4       4.4998      2.00000
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     10      15.0550      0.00000
     11      17.6011      0.00000
     12      20.3669      0.00000
     13      20.9970      0.00000
     14      21.4165      0.00000
     15      22.7712      0.00000
     16      25.2643      0.00000

 k-point   177 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2408      2.00000
      2       0.7317      2.00000
      3       2.8400      2.00000
      4       4.9093      2.00000
      5       8.6945      0.00000
      6      10.2398      0.00000
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      8      12.4265      0.00000
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     10      16.4500      0.00000
     11      18.3217      0.00000
     12      18.4389      0.00000
     13      20.2347      0.00000
     14      22.3792      0.00000
     15      22.9527      0.00000
     16      23.9558      0.00000

 k-point   178 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.8863      2.00000
      2       1.9590      2.00000
      3       3.3451      2.00000
      4       5.3451      2.00000
      5       9.0505      0.00000
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     10      16.4111      0.00000
     11      16.9407      0.00000
     12      17.8337      0.00000
     13      20.1064      0.00000
     14      21.5030      0.00000
     15      22.8900      0.00000
     16      24.9293      0.00000

 k-point   179 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0278      2.00000
      3       4.1819      2.00000
      4       5.2258      2.00000
      5       8.4030      0.00000
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     10      14.5842      0.00000
     11      16.4314      0.00000
     12      17.6584      0.00000
     13      18.8593      0.00000
     14      20.8110      0.00000
     15      23.4180      0.00000
     16      25.1187      0.00000

 k-point   180 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7152      2.00000
      3       3.5693      2.00000
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      7      10.8370      0.00000
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     10      16.0923      0.00000
     11      16.5266      0.00000
     12      18.5450      0.00000
     13      20.1314      0.00000
     14      21.5487      0.00000
     15      22.2743      0.00000
     16      24.2982      0.00000

 k-point   181 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1122      2.00000
      2       0.3290      2.00000
      3       3.3097      2.00000
      4       4.5173      2.00000
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      8      11.9796      0.00000
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     10      15.9399      0.00000
     11      17.8425      0.00000
     12      18.1605      0.00000
     13      20.4833      0.00000
     14      21.6225      0.00000
     15      23.2202      0.00000
     16      24.3650      0.00000

 k-point   182 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4540      2.00000
      2      -0.7101      2.00000
      3       3.2214      2.00000
      4       4.3020      2.00000
      5       8.7036      0.00000
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     10      15.9636      0.00000
     11      17.3621      0.00000
     12      18.7330      0.00000
     13      19.7754      0.00000
     14      21.9538      0.00000
     15      24.1538      0.00000
     16      25.9460      0.00000

 k-point   183 :       0.6364    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4407      2.00000
      2      -0.7296      2.00000
      3       3.2381      2.00000
      4       4.3058      2.00000
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     10      15.9703      0.00000
     11      17.3844      0.00000
     12      18.7928      0.00000
     13      20.0625      0.00000
     14      21.6347      0.00000
     15      24.1167      0.00000
     16      25.9582      0.00000

 k-point   184 :      -0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.0916      2.00000
      2       0.2909      2.00000
      3       3.3554      2.00000
      4       4.5285      2.00000
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     10      16.0347      0.00000
     11      18.1235      0.00000
     12      18.3316      0.00000
     13      20.5295      0.00000
     14      21.6164      0.00000
     15      23.1846      0.00000
     16      24.1427      0.00000

 k-point   185 :      -0.1818    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7816      2.00000
      2       1.6763      2.00000
      3       3.6310      2.00000
      4       4.8892      2.00000
      5       8.6711      0.00000
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     10      16.3016      0.00000
     11      16.5584      0.00000
     12      18.5881      0.00000
     13      20.2367      0.00000
     14      21.7580      0.00000
     15      22.3338      0.00000
     16      24.3462      0.00000

 k-point   186 :      -0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3169      2.00000
      2       3.0311      2.00000
      3       4.2135      2.00000
      4       5.2201      2.00000
      5       8.3477      0.00000
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     10      14.6635      0.00000
     11      16.4772      0.00000
     12      17.6501      0.00000
     13      18.9291      0.00000
     14      20.9086      0.00000
     15      23.7150      0.00000
     16      25.1232      0.00000

 k-point   187 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.4699      2.00000
      2       3.7788      2.00000
      3       4.6996      2.00000
      4       4.7000      2.00000
      5       7.6458      0.00000
      6      10.2411      0.00000
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      8      10.7233      0.00000
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     10      14.4515      0.00000
     11      16.2405      0.00000
     12      18.3908      0.00000
     13      18.3960      0.00000
     14      19.0157      0.00000
     15      25.1529      0.00000
     16      25.3485      0.00000

 k-point   188 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9103      2.00000
      2       1.9679      2.00000
      3       3.3142      2.00000
      4       5.3644      2.00000
      5       9.1022      0.00000
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     10      16.2356      0.00000
     11      16.8572      0.00000
     12      17.8264      0.00000
     13      19.9591      0.00000
     14      21.2730      0.00000
     15      22.7701      0.00000
     16      24.9470      0.00000

 k-point   189 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.2693      2.00000
      2       0.7651      2.00000
      3       2.7994      2.00000
      4       4.9286      2.00000
      5       8.7292      0.00000
      6      10.3136      0.00000
      7      10.4377      0.00000
      8      12.5337      0.00000
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     10      16.2592      0.00000
     11      18.1451      0.00000
     12      18.2512      0.00000
     13      20.2065      0.00000
     14      22.3172      0.00000
     15      23.0029      0.00000
     16      24.0543      0.00000

 k-point   190 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.5596      2.00000
      2      -0.4026      2.00000
      3       2.7261      2.00000
      4       4.5248      2.00000
      5       8.3294      0.00000
      6      10.3587      0.00000
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      8      13.8683      0.00000
      9      14.0736      0.00000
     10      14.8028      0.00000
     11      17.5255      0.00000
     12      20.0411      0.00000
     13      21.0604      0.00000
     14      21.5820      0.00000
     15      22.8528      0.00000
     16      25.2210      0.00000

 k-point   191 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.2435      2.00000
      2      -0.8523      2.00000
      3       2.8977      2.00000
      4       4.2363      2.00000
      5       8.0579      0.00000
      6      10.3722      0.00000
      7      10.7622      0.00000
      8      13.0003      0.00000
      9      15.2891      0.00000
     10      15.7580      0.00000
     11      17.7185      0.00000
     12      19.0356      0.00000
     13      19.9837      0.00000
     14      21.9921      0.00000
     15      25.2134      0.00000
     16      25.4546      0.00000

 k-point   192 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.7570      2.00000
      2      -0.1098      2.00000
      3       3.2565      2.00000
      4       4.1010      2.00000
      5       7.9525      0.00000
      6      10.5017      0.00000
      7      11.0659      0.00000
      8      11.3313      0.00000
      9      16.0388      0.00000
     10      16.9910      0.00000
     11      17.8812      0.00000
     12      18.0815      0.00000
     13      19.1708      0.00000
     14      22.5258      0.00000
     15      24.0720      0.00000
     16      24.2550      0.00000

 k-point   193 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4715      2.00000
      2       1.1732      2.00000
      3       3.7578      2.00000
      4       4.1355      2.00000
      5       7.9179      0.00000
      6      10.0901      0.00000
      7      10.7241      0.00000
      8      11.3542      0.00000
      9      15.6085      0.00000
     10      16.1100      0.00000
     11      16.6803      0.00000
     12      19.6849      0.00000
     13      19.7934      0.00000
     14      21.4656      0.00000
     15      22.3565      0.00000
     16      23.7038      0.00000

 k-point   194 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0669      2.00000
      2       2.5878      2.00000
      3       4.3034      2.00000
      4       4.3421      2.00000
      5       7.6764      0.00000
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      8      11.3054      0.00000
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     10      14.7734      0.00000
     11      16.9750      0.00000
     12      18.3935      0.00000
     13      19.3725      0.00000
     14      20.7077      0.00000
     15      23.4219      0.00000
     16      23.9568      0.00000

 k-point   195 :       0.0000    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.0818      2.00000
      2       2.5889      2.00000
      3       4.2621      2.00000
      4       4.3589      2.00000
      5       7.7221      0.00000
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     10      14.8068      0.00000
     11      17.0087      0.00000
     12      18.3585      0.00000
     13      19.2747      0.00000
     14      20.5486      0.00000
     15      23.1446      0.00000
     16      23.7840      0.00000

 k-point   196 :       0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0307      2.00000
      3       4.1434      2.00000
      4       5.2366      2.00000
      5       8.4636      0.00000
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      8      10.8684      0.00000
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     10      14.5226      0.00000
     11      16.3760      0.00000
     12      17.6650      0.00000
     13      18.7854      0.00000
     14      20.7160      0.00000
     15      23.1243      0.00000
     16      25.1195      0.00000

 k-point   197 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2301      2.00000
      2       0.9462      2.00000
      3       2.6010      2.00000
      4       4.5298      2.00000
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      8      11.8749      0.00000
      9      13.7122      0.00000
     10      16.6894      0.00000
     11      18.2934      0.00000
     12      18.6496      0.00000
     13      19.7436      0.00000
     14      22.0925      0.00000
     15      22.4620      0.00000
     16      25.0824      0.00000

 k-point   198 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2      -0.0666      2.00000
      3       2.2191      2.00000
      4       4.0848      2.00000
      5       8.9147      0.00000
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     10      14.9666      0.00000
     11      18.5033      0.00000
     12      20.3756      0.00000
     13      21.0460      0.00000
     14      21.4644      0.00000
     15      23.7934      0.00000
     16      24.0776      0.00000

 k-point   199 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.9761      2.00000
      2      -0.8033      2.00000
      3       2.2481      2.00000
      4       3.7650      2.00000
      5       8.5399      0.00000
      6      10.1100      0.00000
      7      12.3027      0.00000
      8      12.8718      0.00000
      9      13.4048      0.00000
     10      16.3458      0.00000
     11      18.3724      0.00000
     12      19.4719      0.00000
     13      21.9353      0.00000
     14      22.3160      0.00000
     15      23.6957      0.00000
     16      24.5948      0.00000

 k-point   200 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.2606      2.00000
      2      -0.4353      2.00000
      3       2.4937      2.00000
      4       3.6670      2.00000
      5       8.3277      0.00000
      6      10.3590      0.00000
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      8      12.4298      0.00000
      9      15.1897      0.00000
     10      16.9908      0.00000
     11      18.0624      0.00000
     12      19.3121      0.00000
     13      20.0716      0.00000
     14      22.7870      0.00000
     15      24.0067      0.00000
     16      24.9124      0.00000

 k-point   201 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.9709      2.00000
      2       0.6213      2.00000
      3       2.8773      2.00000
      4       3.8427      2.00000
      5       8.2023      0.00000
      6       9.7448      0.00000
      7      10.7931      0.00000
      8      12.5089      0.00000
      9      15.6413      0.00000
     10      16.8791      0.00000
     11      18.1385      0.00000
     12      18.6921      0.00000
     13      20.5897      0.00000
     14      21.0630      0.00000
     15      22.7154      0.00000
     16      24.3934      0.00000

 k-point   202 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.6151      2.00000
      2       1.7362      2.00000
      3       3.4452      2.00000
      4       4.1914      2.00000
      5       7.8265      0.00000
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      8      12.1851      0.00000
      9      14.6931      0.00000
     10      16.2442      0.00000
     11      17.7037      0.00000
     12      18.6758      0.00000
     13      20.0481      0.00000
     14      21.4957      0.00000
     15      21.6415      0.00000
     16      23.8606      0.00000

 k-point   203 :       0.0000    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.5084      2.00000
      2       1.1824      2.00000
      3       3.7338      2.00000
      4       4.1654      2.00000
      5       7.9557      0.00000
      6      10.2163      0.00000
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      8      11.3614      0.00000
      9      15.6091      0.00000
     10      16.0214      0.00000
     11      16.7644      0.00000
     12      19.4432      0.00000
     13      19.5613      0.00000
     14      21.2949      0.00000
     15      22.1823      0.00000
     16      23.5078      0.00000

 k-point   204 :       0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.8264      2.00000
      2       1.6847      2.00000
      3       3.5935      2.00000
      4       4.9103      2.00000
      5       8.7954      0.00000
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     10      15.9868      0.00000
     11      16.5192      0.00000
     12      18.4146      0.00000
     13      19.9412      0.00000
     14      21.3809      0.00000
     15      22.1530      0.00000
     16      24.3637      0.00000

 k-point   205 :       0.1818    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.9337      2.00000
      2       1.9778      2.00000
      3       3.2801      2.00000
      4       5.3874      2.00000
      5       9.1776      0.00000
      6       9.9378      0.00000
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     10      16.0838      0.00000
     11      16.7604      0.00000
     12      17.8084      0.00000
     13      19.7995      0.00000
     14      21.0548      0.00000
     15      22.6595      0.00000
     16      25.0117      0.00000

 k-point   206 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6482      2.00000
      2      -0.7978      2.00000
      3       1.9117      2.00000
      4       3.0282      2.00000
      5       9.5038      0.00000
      6       9.9234      0.00000
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      8      13.0980      0.00000
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     10      17.0188      0.00000
     11      18.9810      0.00000
     12      20.0918      0.00000
     13      21.6927      0.00000
     14      22.6986      0.00000
     15      23.2757      0.00000
     16      24.9061      0.00000

 k-point   207 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3218      2.00000
      2      -0.0574      2.00000
      3       2.1788      2.00000
      4       3.3831      2.00000
      5       9.1495      0.00000
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     10      15.7369      0.00000
     11      19.7407      0.00000
     12      20.1931      0.00000
     13      20.5152      0.00000
     14      20.8942      0.00000
     15      23.0587      0.00000
     16      24.3562      0.00000

 k-point   208 :      -0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.9938      2.00000
      2       0.6363      2.00000
      3       2.8488      2.00000
      4       3.8876      2.00000
      5       8.1754      0.00000
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     10      16.9773      0.00000
     11      18.2268      0.00000
     12      18.7048      0.00000
     13      20.2268      0.00000
     14      20.9928      0.00000
     15      22.5648      0.00000
     16      24.5754      0.00000

 k-point   209 :       0.0000    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.8249      2.00000
      2      -0.0798      2.00000
      3       3.2637      2.00000
      4       4.1380      2.00000
      5       7.9981      0.00000
      6      10.6706      0.00000
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     10      16.9430      0.00000
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     12      17.9175      0.00000
     13      18.9714      0.00000
     14      22.3167      0.00000
     15      23.8986      0.00000
     16      24.4197      0.00000

 k-point   210 :       0.0909    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.1653      2.00000
      2       0.3128      2.00000
      3       3.3634      2.00000
      4       4.5608      2.00000
      5       8.8620      0.00000
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     10      15.9327      0.00000
     11      17.7297      0.00000
     12      17.9841      0.00000
     13      20.4388      0.00000
     14      21.4969      0.00000
     15      23.0261      0.00000
     16      24.2306      0.00000

 k-point   211 :       0.1818    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.3156      2.00000
      2       0.7620      2.00000
      3       2.8150      2.00000
      4       4.9727      2.00000
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     10      16.1698      0.00000
     11      17.9779      0.00000
     12      18.1626      0.00000
     13      20.0496      0.00000
     14      22.0965      0.00000
     15      22.8901      0.00000
     16      24.0916      0.00000

 k-point   212 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2655      2.00000
      2       0.9714      2.00000
      3       2.5810      2.00000
      4       4.5455      2.00000
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     10      16.4953      0.00000
     11      18.1009      0.00000
     12      18.6349      0.00000
     13      19.6514      0.00000
     14      21.9223      0.00000
     15      22.4545      0.00000
     16      25.1093      0.00000

 k-point   213 :      -0.1818   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6861      2.00000
      2      -0.7561      2.00000
      3       1.8734      2.00000
      4       3.0741      2.00000
      5       9.4971      0.00000
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      7      11.2268      0.00000
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     10      16.7473      0.00000
     11      18.6454      0.00000
     12      20.3914      0.00000
     13      21.8219      0.00000
     14      22.7394      0.00000
     15      23.2359      0.00000
     16      24.9813      0.00000

 k-point   214 :      -0.0909   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.3173      2.00000
      2      -0.3914      2.00000
      3       2.4586      2.00000
      4       3.7389      2.00000
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     10      16.7630      0.00000
     11      17.8275      0.00000
     12      19.2050      0.00000
     13      20.2295      0.00000
     14      22.5786      0.00000
     15      24.2993      0.00000
     16      24.8284      0.00000

 k-point   215 :      -0.0000   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3364      2.00000
      2      -0.8062      2.00000
      3       2.9331      2.00000
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     10      15.6203      0.00000
     11      17.7223      0.00000
     12      18.9099      0.00000
     13      19.8329      0.00000
     14      22.1425      0.00000
     15      24.9228      0.00000
     16      25.2135      0.00000

 k-point   216 :       0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.5451      2.00000
      2      -0.6894      2.00000
      3       3.2887      2.00000
      4       4.3461      2.00000
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     10      16.0565      0.00000
     11      17.4030      0.00000
     12      18.8173      0.00000
     13      19.6193      0.00000
     14      21.7163      0.00000
     15      23.9749      0.00000
     16      25.7186      0.00000

 k-point   217 :       0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.6397      2.00000
      2      -0.3821      2.00000
      3       2.7606      2.00000
      4       4.5863      2.00000
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     10      14.6495      0.00000
     11      17.5250      0.00000
     12      19.9139      0.00000
     13      21.0483      0.00000
     14      21.3858      0.00000
     15      22.7495      0.00000
     16      24.9764      0.00000

 k-point   218 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5872      2.00000
      2      -0.0307      2.00000
      3       2.2195      2.00000
      4       4.1274      2.00000
      5       8.9942      0.00000
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     10      14.8193      0.00000
     11      18.5618      0.00000
     12      20.2090      0.00000
     13      20.8095      0.00000
     14      21.3614      0.00000
     15      23.8060      0.00000
     16      24.1522      0.00000

 k-point   219 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3689      2.00000
      2      -0.0123      2.00000
      3       2.1744      2.00000
      4       3.3791      2.00000
      5       9.1867      0.00000
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     10      15.8274      0.00000
     11      19.7511      0.00000
     12      20.1094      0.00000
     13      20.4451      0.00000
     14      20.8376      0.00000
     15      23.0112      0.00000
     16      24.2298      0.00000

 k-point   220 :      -0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6863      2.00000
      2      -0.7560      2.00000
      3       1.8737      2.00000
      4       3.0738      2.00000
      5       9.4978      0.00000
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     10      16.7466      0.00000
     11      18.6463      0.00000
     12      20.3917      0.00000
     13      21.8231      0.00000
     14      22.7377      0.00000
     15      23.2357      0.00000
     16      24.9829      0.00000

 k-point   221 :      -0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.0464      2.00000
      2      -0.7504      2.00000
      3       2.2319      2.00000
      4       3.8270      2.00000
      5       8.5445      0.00000
      6      10.0951      0.00000
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     10      16.0564      0.00000
     11      18.3585      0.00000
     12      19.2003      0.00000
     13      22.0982      0.00000
     14      22.5348      0.00000
     15      23.5298      0.00000
     16      24.6871      0.00000

 k-point   222 :      -0.0000   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.6140      2.00000
      2      -0.4029      2.00000
      3       2.7815      2.00000
      4       4.5587      2.00000
      5       8.3768      0.00000
      6      10.4819      0.00000
      7      10.5895      0.00000
      8      13.7629      0.00000
      9      13.9636      0.00000
     10      14.9030      0.00000
     11      17.6014      0.00000
     12      20.2337      0.00000
     13      20.8779      0.00000
     14      21.3376      0.00000
     15      22.6688      0.00000
     16      25.0127      0.00000

 k-point   223 :       0.0909    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.5331      2.00000
      2      -0.7075      2.00000
      3       3.3058      2.00000
      4       4.3486      2.00000
      5       8.8853      0.00000
      6       9.2025      0.00000
      7      10.8718      0.00000
      8      13.1794      0.00000
      9      14.9697      0.00000
     10      16.0555      0.00000
     11      17.4173      0.00000
     12      18.8772      0.00000
     13      19.9024      0.00000
     14      21.4043      0.00000
     15      23.9426      0.00000
     16      25.7304      0.00000

 k-point   224 :       0.1818    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3410      2.00000
      2      -0.8183      2.00000
      3       2.9365      2.00000
      4       4.3101      2.00000
      5       8.1441      0.00000
      6      10.4870      0.00000
      7      10.8456      0.00000
      8      12.8627      0.00000
      9      15.3580      0.00000
     10      15.7198      0.00000
     11      17.7285      0.00000
     12      19.0356      0.00000
     13      19.9434      0.00000
     14      21.7938      0.00000
     15      24.9726      0.00000
     16      25.2352      0.00000

 k-point   225 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.0696      2.00000
      2      -0.7494      2.00000
      3       2.2556      2.00000
      4       3.8295      2.00000
      5       8.6227      0.00000
      6      10.1529      0.00000
      7      12.4524      0.00000
      8      12.7591      0.00000
      9      13.4527      0.00000
     10      16.2895      0.00000
     11      18.3810      0.00000
     12      19.3281      0.00000
     13      22.0453      0.00000
     14      22.2047      0.00000
     15      23.5751      0.00000
     16      24.5440      0.00000

 k-point   226 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7275      2.00000
      2      -0.7275      2.00000
      3       1.9001      2.00000
      4       3.0555      2.00000
      5       9.5339      0.00000
      6      10.0127      0.00000
      7      11.2573      0.00000
      8      12.9190      0.00000
      9      14.3549      0.00000
     10      16.9664      0.00000
     11      18.8319      0.00000
     12      20.2401      0.00000
     13      21.7218      0.00000
     14      22.4898      0.00000
     15      23.2198      0.00000
     16      24.9740      0.00000

 k-point   227 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.3069      2.00000
      2      -1.0668      2.00000
      3       2.1324      2.00000
      4       2.5027      2.00000
      5       9.0643      0.00000
      6       9.2829      0.00000
      7      11.8994      0.00000
      8      13.1704      0.00000
      9      15.8689      0.00000
     10      17.3565      0.00000
     11      18.7313      0.00000
     12      20.0301      0.00000
     13      21.8516      0.00000
     14      22.5454      0.00000
     15      23.2477      0.00000
     16      24.5653      0.00000

 k-point   228 :      -0.0909   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.5501      2.00000
      2      -0.0572      2.00000
      3       2.2237      2.00000
      4       4.1181      2.00000
      5       8.9264      0.00000
      6       9.8867      0.00000
      7      11.7258      0.00000
      8      12.3965      0.00000
      9      14.5406      0.00000
     10      14.9903      0.00000
     11      18.6700      0.00000
     12      20.4540      0.00000
     13      20.6643      0.00000
     14      21.2690      0.00000
     15      23.8864      0.00000
     16      24.3070      0.00000

 k-point   229 :      -0.0000   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2881      2.00000
      2       0.7304      2.00000
      3       2.8569      2.00000
      4       4.9504      2.00000
      5       8.7637      0.00000
      6      10.3228      0.00000
      7      10.5222      0.00000
      8      12.4611      0.00000
      9      12.6113      0.00000
     10      16.3739      0.00000
     11      18.1610      0.00000
     12      18.3201      0.00000
     13      20.0849      0.00000
     14      22.1586      0.00000
     15      22.8291      0.00000
     16      23.9774      0.00000

 k-point   230 :       0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2763      2.00000
      3       3.4100      2.00000
      4       4.5686      2.00000
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      8      11.7185      0.00000
      9      14.8401      0.00000
     10      16.0417      0.00000
     11      18.0013      0.00000
     12      18.1429      0.00000
     13      20.4914      0.00000
     14      21.4905      0.00000
     15      22.9897      0.00000
     16      24.0086      0.00000

 k-point   231 :       0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.8144      2.00000
      2      -0.1179      2.00000
      3       3.2883      2.00000
      4       4.1819      2.00000
      5       8.0304      0.00000
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      9      16.1055      0.00000
     10      17.0377      0.00000
     11      17.9098      0.00000
     12      17.9864      0.00000
     13      19.0619      0.00000
     14      22.3006      0.00000
     15      23.9653      0.00000
     16      24.1077      0.00000

 k-point   232 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.3166      2.00000
      2      -0.4229      2.00000
      3       2.5026      2.00000
      4       3.7381      2.00000
      5       8.4022      0.00000
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      9      15.2623      0.00000
     10      16.9104      0.00000
     11      17.9993      0.00000
     12      19.2505      0.00000
     13      20.2098      0.00000
     14      22.6043      0.00000
     15      23.9576      0.00000
     16      24.7801      0.00000

 k-point   233 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.6957      2.00000
      2      -0.7639      2.00000
      3       1.9072      2.00000
      4       3.0571      2.00000
      5       9.5862      0.00000
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      9      14.3401      0.00000
     10      16.8867      0.00000
     11      18.8984      0.00000
     12      20.2370      0.00000
     13      21.7063      0.00000
     14      22.7203      0.00000
     15      23.2138      0.00000
     16      24.7469      0.00000

 k-point   234 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.0474      2.00000
      2      -1.2892      2.00000
      3       1.8332      2.00000
      4       2.5535      2.00000
      5       9.4071      0.00000
      6      10.6757      0.00000
      7      11.3944      0.00000
      8      11.6742      0.00000
      9      15.8654      0.00000
     10      16.9643      0.00000
     11      19.0214      0.00000
     12      20.2290      0.00000
     13      21.8998      0.00000
     14      22.9487      0.00000
     15      24.4147      0.00000
     16      24.6066      0.00000

 k-point   235 :      -0.4545   -0.2727   -0.8182
  band No.  band energies     occupation 
      1      -2.1941      2.00000
      2      -1.1828      2.00000
      3       2.1178      2.00000
      4       2.5274      2.00000
      5       9.0540      0.00000
      6       9.2350      0.00000
      7      11.5969      0.00000
      8      13.5497      0.00000
      9      15.8111      0.00000
     10      17.2905      0.00000
     11      18.6752      0.00000
     12      20.0844      0.00000
     13      21.8399      0.00000
     14      22.9284      0.00000
     15      23.2082      0.00000
     16      24.4265      0.00000

 k-point   236 :       0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6457      2.00000
      3       3.6573      2.00000
      4       4.9187      2.00000
      5       8.7727      0.00000
      6       9.6762      0.00000
      7      10.7598      0.00000
      8      10.9910      0.00000
      9      13.7322      0.00000
     10      16.1801      0.00000
     11      16.5630      0.00000
     12      18.4658      0.00000
     13      20.0551      0.00000
     14      21.5761      0.00000
     15      22.2161      0.00000
     16      24.4023      0.00000

 k-point   237 :       0.1818   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4985      2.00000
      2       1.1384      2.00000
      3       3.7673      2.00000
      4       4.2176      2.00000
      5       7.9676      0.00000
      6      10.0591      0.00000
      7      10.8012      0.00000
      8      11.3992      0.00000
      9      15.6818      0.00000
     10      16.0654      0.00000
     11      16.7415      0.00000
     12      19.5522      0.00000
     13      19.6532      0.00000
     14      21.3714      0.00000
     15      22.2952      0.00000
     16      23.5654      0.00000

 k-point   238 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.9903      2.00000
      2       0.6045      2.00000
      3       2.8884      2.00000
      4       3.8912      2.00000
      5       8.2453      0.00000
      6       9.6903      0.00000
      7      10.8222      0.00000
      8      12.5855      0.00000
      9      15.5568      0.00000
     10      16.9536      0.00000
     11      18.2191      0.00000
     12      18.6823      0.00000
     13      20.4296      0.00000
     14      21.0199      0.00000
     15      22.6072      0.00000
     16      24.4889      0.00000

 k-point   239 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0579      2.00000
      3       2.1808      2.00000
      4       3.3809      2.00000
      5       9.1312      0.00000
      6       9.7750      0.00000
      7      10.4543      0.00000
      8      13.8472      0.00000
      9      15.1512      0.00000
     10      15.7242      0.00000
     11      19.7500      0.00000
     12      20.2989      0.00000
     13      20.4467      0.00000
     14      20.8650      0.00000
     15      23.0412      0.00000
     16      24.3477      0.00000

 k-point   240 :      -0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2      -0.7879      2.00000
      3       1.8784      2.00000
      4       3.0431      2.00000
      5       9.4092      0.00000
      6       9.8776      0.00000
      7      11.3523      0.00000
      8      13.0979      0.00000
      9      14.2970      0.00000
     10      16.8721      0.00000
     11      18.7362      0.00000
     12      20.2484      0.00000
     13      21.8221      0.00000
     14      22.7073      0.00000
     15      23.2735      0.00000
     16      25.1398      0.00000

 k-point   241 :       0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6068      2.00000
      2      -0.8278      2.00000
      3       1.8851      2.00000
      4       3.0452      2.00000
      5       9.4707      0.00000
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     10      16.7925      0.00000
     11      18.8013      0.00000
     12      20.2444      0.00000
     13      21.8070      0.00000
     14      22.9385      0.00000
     15      23.2786      0.00000
     16      24.9045      0.00000

 k-point   242 :      -0.3636   -0.1818   -0.8182
  band No.  band energies     occupation 
      1      -3.2746      2.00000
      2      -0.1044      2.00000
      3       2.1858      2.00000
      4       3.3841      2.00000
      5       9.1187      0.00000
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     10      15.6165      0.00000
     11      19.7515      0.00000
     12      20.4580      0.00000
     13      20.4627      0.00000
     14      20.9102      0.00000
     15      23.0595      0.00000
     16      24.4642      0.00000

 k-point   243 :       0.1818   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.0765      2.00000
      2       2.5559      2.00000
      3       4.2701      2.00000
      4       4.4177      2.00000
      5       7.6953      0.00000
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      8      11.3428      0.00000
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     10      14.8072      0.00000
     11      16.9792      0.00000
     12      18.3730      0.00000
     13      19.3370      0.00000
     14      20.5880      0.00000
     15      23.3298      0.00000
     16      23.8742      0.00000

 k-point   244 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7333      2.00000
      3       3.4477      2.00000
      4       4.1902      2.00000
      5       7.8249      0.00000
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     10      16.2460      0.00000
     11      17.7169      0.00000
     12      18.6673      0.00000
     13      20.0461      0.00000
     14      21.5276      0.00000
     15      21.6197      0.00000
     16      23.8910      0.00000

 k-point   245 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6512      2.00000
      3       2.8397      2.00000
      4       3.8368      2.00000
      5       8.1305      0.00000
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     10      16.9125      0.00000
     11      18.1508      0.00000
     12      18.7212      0.00000
     13      20.3872      0.00000
     14      21.0420      0.00000
     15      22.6658      0.00000
     16      24.4820      0.00000

 k-point   246 :      -0.5455   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4032      2.00000
      3       2.4480      2.00000
      4       3.6681      2.00000
      5       8.2434      0.00000
      6      10.3378      0.00000
      7      11.3718      0.00000
      8      12.5065      0.00000
      9      15.1872      0.00000
     10      16.8570      0.00000
     11      17.9074      0.00000
     12      19.2305      0.00000
     13      20.0936      0.00000
     14      22.7700      0.00000
     15      24.3812      0.00000
     16      24.9035      0.00000

 k-point   247 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -2.9532      2.00000
      2      -0.8054      2.00000
      3       2.2229      2.00000
      4       3.7628      2.00000
      5       8.4667      0.00000
      6      10.0574      0.00000
      7      12.3500      0.00000
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      9      13.4629      0.00000
     10      16.1219      0.00000
     11      18.3741      0.00000
     12      19.3007      0.00000
     13      21.9697      0.00000
     14      22.6852      0.00000
     15      23.6745      0.00000
     16      24.7163      0.00000

 k-point   248 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4839      2.00000
      2      -0.0957      2.00000
      3       2.2231      2.00000
      4       4.0756      2.00000
      5       8.8535      0.00000
      6       9.8515      0.00000
      7      11.6043      0.00000
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      9      14.5514      0.00000
     10      15.1938      0.00000
     11      18.6091      0.00000
     12      20.6770      0.00000
     13      20.8571      0.00000
     14      21.3750      0.00000
     15      23.8640      0.00000
     16      24.2225      0.00000

 k-point   249 :      -0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1942      2.00000
      2       0.9188      2.00000
      3       2.6214      2.00000
      4       4.5140      2.00000
      5       9.3295      0.00000
      6       9.4285      0.00000
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     10      16.8873      0.00000
     11      18.4977      0.00000
     12      18.6673      0.00000
     13      19.8336      0.00000
     14      22.2585      0.00000
     15      22.4947      0.00000
     16      25.1106      0.00000

 k-point   250 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7471      2.00000
      2       2.1339      2.00000
      3       3.8917      2.00000
      4       4.0379      2.00000
      5       7.0367      0.00000
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     10      15.2658      0.00000
     11      18.1446      0.00000
     12      19.4148      0.00000
     13      19.4750      0.00000
     14      20.2504      0.00000
     15      23.2492      0.00000
     16      23.2564      0.00000

 k-point   251 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2200      2.00000
      2       1.1718      2.00000
      3       3.4546      2.00000
      4       3.6543      2.00000
      5       7.1518      0.00000
      6       8.5910      0.00000
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      8      12.7485      0.00000
      9      16.0238      0.00000
     10      16.3085      0.00000
     11      18.3376      0.00000
     12      19.5678      0.00000
     13      20.0150      0.00000
     14      21.0601      0.00000
     15      22.0234      0.00000
     16      23.1043      0.00000

 k-point   252 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5344      2.00000
      2       0.1232      2.00000
      3       2.6727      2.00000
      4       3.5952      2.00000
      5       7.3028      0.00000
      6       9.4480      0.00000
      7      12.4696      0.00000
      8      12.5780      0.00000
      9      17.2641      0.00000
     10      17.3691      0.00000
     11      17.9015      0.00000
     12      18.1871      0.00000
     13      19.9456      0.00000
     14      21.9665      0.00000
     15      22.9951      0.00000
     16      24.6943      0.00000

 k-point   253 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8707      2.00000
      2      -0.7310      2.00000
      3       2.0730      2.00000
      4       3.7176      2.00000
      5       7.4327      0.00000
      6      10.9696      0.00000
      7      12.2200      0.00000
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      9      15.6800      0.00000
     10      15.6866      0.00000
     11      19.3474      0.00000
     12      19.3640      0.00000
     13      20.0944      0.00000
     14      23.9555      0.00000
     15      24.0458      0.00000
     16      24.6389      0.00000

 k-point   254 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8996      2.00000
      2      -0.6845      2.00000
      3       1.7824      2.00000
      4       4.0089      2.00000
      5       7.7386      0.00000
      6      11.8572      0.00000
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     10      13.9772      0.00000
     11      19.3190      0.00000
     12      21.3824      0.00000
     13      21.5535      0.00000
     14      22.3262      0.00000
     15      23.1398      0.00000
     16      24.1541      0.00000

 k-point   255 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5677      2.00000
      2       0.1002      2.00000
      3       1.9564      2.00000
      4       4.4343      2.00000
      5       8.2141      0.00000
      6      11.2552      0.00000
      7      11.6174      0.00000
      8      12.5143      0.00000
      9      12.6905      0.00000
     10      15.1344      0.00000
     11      19.3060      0.00000
     12      19.9831      0.00000
     13      20.8205      0.00000
     14      23.0278      0.00000
     15      23.3029      0.00000
     16      24.0137      0.00000

 k-point   256 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7334      2.00000
      3       3.4481      2.00000
      4       4.1899      2.00000
      5       7.8248      0.00000
      6       9.3674      0.00000
      7      11.1293      0.00000
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     10      16.2442      0.00000
     11      17.7172      0.00000
     12      18.6682      0.00000
     13      20.0460      0.00000
     14      21.5277      0.00000
     15      21.6191      0.00000
     16      23.8916      0.00000

 k-point   257 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6514      2.00000
      3       2.8401      2.00000
      4       3.8365      2.00000
      5       8.1302      0.00000
      6       9.8747      0.00000
      7      10.8099      0.00000
      8      12.5681      0.00000
      9      15.5117      0.00000
     10      16.9113      0.00000
     11      18.1490      0.00000
     12      18.7218      0.00000
     13      20.3891      0.00000
     14      21.0436      0.00000
     15      22.6666      0.00000
     16      24.4827      0.00000

 k-point   258 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4030      2.00000
      3       2.4482      2.00000
      4       3.6680      2.00000
      5       8.2429      0.00000
      6      10.3360      0.00000
      7      11.3713      0.00000
      8      12.5083      0.00000
      9      15.1852      0.00000
     10      16.8582      0.00000
     11      17.9095      0.00000
     12      19.2322      0.00000
     13      20.0916      0.00000
     14      22.7723      0.00000
     15      24.3819      0.00000
     16      24.9051      0.00000

 k-point   259 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9531      2.00000
      2      -0.8053      2.00000
      3       2.2230      2.00000
      4       3.7630      2.00000
      5       8.4661      0.00000
      6      10.0556      0.00000
      7      12.3517      0.00000
      8      13.0363      0.00000
      9      13.4617      0.00000
     10      16.1240      0.00000
     11      18.3749      0.00000
     12      19.3025      0.00000
     13      21.9677      0.00000
     14      22.6853      0.00000
     15      23.6753      0.00000
     16      24.7185      0.00000

 k-point   260 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.4838      2.00000
      2      -0.0957      2.00000
      3       2.2231      2.00000
      4       4.0759      2.00000
      5       8.8527      0.00000
      6       9.8499      0.00000
      7      11.6027      0.00000
      8      12.2590      0.00000
      9      14.5532      0.00000
     10      15.1935      0.00000
     11      18.6095      0.00000
     12      20.6769      0.00000
     13      20.8586      0.00000
     14      21.3760      0.00000
     15      23.8624      0.00000
     16      24.2240      0.00000

 k-point   261 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.1941      2.00000
      2       0.9189      2.00000
      3       2.6212      2.00000
      4       4.5143      2.00000
      5       9.3288      0.00000
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      7      10.6629      0.00000
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     10      16.8872      0.00000
     11      18.4976      0.00000
     12      18.6674      0.00000
     13      19.8339      0.00000
     14      22.2590      0.00000
     15      22.4965      0.00000
     16      25.1093      0.00000

 k-point   262 :       0.4545    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.2304      2.00000
      2       0.9450      2.00000
      3       2.6029      2.00000
      4       4.5277      2.00000
      5       9.3710      0.00000
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      8      11.8770      0.00000
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     10      16.6934      0.00000
     11      18.2947      0.00000
     12      18.6514      0.00000
     13      19.7426      0.00000
     14      22.0918      0.00000
     15      22.4827      0.00000
     16      25.0614      0.00000

 k-point   263 :       0.5455    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5231      2.00000
      2      -0.0517      2.00000
      3       2.1947      2.00000
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     14      21.4084      0.00000
     15      24.0629      0.00000
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 k-point   264 :       0.6364    0.1818    0.2727
  band No.  band energies     occupation 
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     14      22.3442      0.00000
     15      23.7564      0.00000
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 k-point   265 :       0.7273    0.1818    0.2727
  band No.  band energies     occupation 
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     10      16.7842      0.00000
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     13      20.3815      0.00000
     14      22.7401      0.00000
     15      24.1340      0.00000
     16      24.9211      0.00000

 k-point   266 :      -0.1818    0.1818    0.2727
  band No.  band energies     occupation 
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     10      17.0757      0.00000
     11      18.3797      0.00000
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     13      20.4434      0.00000
     14      21.0568      0.00000
     15      22.7565      0.00000
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 k-point   267 :      -0.0909    0.1818    0.2727
  band No.  band energies     occupation 
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     10      16.3921      0.00000
     11      17.7706      0.00000
     12      18.6312      0.00000
     13      20.1736      0.00000
     14      21.6320      0.00000
     15      21.8074      0.00000
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 k-point   268 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.7464      2.00000
      2       2.1371      2.00000
      3       3.9632      2.00000
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     10      15.2620      0.00000
     11      18.1421      0.00000
     12      19.4308      0.00000
     13      19.4435      0.00000
     14      20.2656      0.00000
     15      23.2015      0.00000
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 k-point   269 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
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      3       1.9464      2.00000
      4       4.4779      2.00000
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     10      14.8985      0.00000
     11      19.2516      0.00000
     12      19.9545      0.00000
     13      20.5782      0.00000
     14      22.9932      0.00000
     15      23.3594      0.00000
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 k-point   270 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.9455      2.00000
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     10      14.1572      0.00000
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     12      21.3951      0.00000
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     14      22.3423      0.00000
     15      22.8841      0.00000
     16      24.0525      0.00000

 k-point   271 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.8701      2.00000
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     11      19.2314      0.00000
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     15      24.0088      0.00000
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 k-point   272 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
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     14      21.9695      0.00000
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 k-point   273 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
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 k-point   274 :       0.0000    0.3636    0.2727
  band No.  band energies     occupation 
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 k-point   275 :       0.0909    0.3636    0.2727
  band No.  band energies     occupation 
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 k-point   276 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
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     15      22.9673      0.00000
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 k-point   277 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
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 k-point   278 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
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 k-point   279 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.6425      2.00000
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 k-point   280 :       0.0000    0.4545    0.2727
  band No.  band energies     occupation 
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 k-point   281 :       0.0909    0.4545    0.2727
  band No.  band energies     occupation 
      1      -4.0137      2.00000
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 k-point   282 :       0.1818    0.4545    0.2727
  band No.  band energies     occupation 
      1      -4.2653      2.00000
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 k-point   283 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.0420      2.00000
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 k-point   284 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.2504      2.00000
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     14      22.7090      0.00000
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 k-point   285 :      -0.0909   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.9586      2.00000
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     14      21.4230      0.00000
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 k-point   286 :       0.0000   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.9499      2.00000
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      3       2.0764      2.00000
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     11      19.2674      0.00000
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     14      23.8715      0.00000
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 k-point   287 :       0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.3365      2.00000
      2      -0.3796      2.00000
      3       2.4883      2.00000
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     14      22.6314      0.00000
     15      24.2018      0.00000
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 k-point   288 :       0.1818    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.5871      2.00000
      2      -0.0307      2.00000
      3       2.2195      2.00000
      4       4.1277      2.00000
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     11      18.5622      0.00000
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     15      23.8055      0.00000
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 k-point   289 :       0.2727    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.6735      2.00000
      2       0.1685      2.00000
      3       1.9353      2.00000
      4       4.5239      2.00000
      5       8.3250      0.00000
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     10      14.6656      0.00000
     11      19.2109      0.00000
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 k-point   290 :      -0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.4818      2.00000
      2      -0.9809      2.00000
      3       1.7452      2.00000
      4       3.3132      2.00000
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     10      16.1807      0.00000
     11      19.1931      0.00000
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 k-point   291 :       0.0000   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9885      2.00000
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      3       1.7915      2.00000
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     10      14.0047      0.00000
     11      19.3819      0.00000
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     15      22.9935      0.00000
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 k-point   292 :       0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.0539      2.00000
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      3       2.2663      2.00000
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     10      16.2363      0.00000
     11      18.4543      0.00000
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     14      22.5081      0.00000
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 k-point   293 :       0.1818    0.6364    0.2727
  band No.  band energies     occupation 
      1      -3.0695      2.00000
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     10      16.2915      0.00000
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 k-point   294 :       0.2727    0.6364    0.2727
  band No.  band energies     occupation 
      1      -3.0326      2.00000
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     10      14.1139      0.00000
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 k-point   295 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9207      2.00000
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     10      15.0564      0.00000
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 k-point   296 :       0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5498      2.00000
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     10      14.9893      0.00000
     11      18.6283      0.00000
     12      20.4717      0.00000
     13      20.8496      0.00000
     14      21.3489      0.00000
     15      23.6444      0.00000
     16      24.0572      0.00000

 k-point   297 :       0.1818    0.7273    0.2727
  band No.  band energies     occupation 
      1      -3.3167      2.00000
      2      -0.4227      2.00000
      3       2.5028      2.00000
      4       3.7380      2.00000
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      9      15.2602      0.00000
     10      16.9116      0.00000
     11      18.0013      0.00000
     12      19.2523      0.00000
     13      20.2078      0.00000
     14      22.6063      0.00000
     15      23.9584      0.00000
     16      24.7817      0.00000

 k-point   298 :       0.2727    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.9524      2.00000
      2      -0.7205      2.00000
      3       2.0869      2.00000
      4       3.8500      2.00000
      5       7.5690      0.00000
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     10      15.8149      0.00000
     11      19.3032      0.00000
     12      19.3832      0.00000
     13      20.1979      0.00000
     14      23.8420      0.00000
     15      23.8793      0.00000
     16      24.3267      0.00000

 k-point   299 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.5158      2.00000
      2      -0.9741      2.00000
      3       1.7566      2.00000
      4       3.3451      2.00000
      5       8.1097      0.00000
      6      10.5904      0.00000
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      9      14.2902      0.00000
     10      16.4056      0.00000
     11      19.3902      0.00000
     12      20.4848      0.00000
     13      21.9369      0.00000
     14      22.3475      0.00000
     15      23.4565      0.00000
     16      24.5331      0.00000

 k-point   300 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.1145      2.00000
      2      -1.2312      2.00000
      3       1.8314      2.00000
      4       2.5701      2.00000
      5       9.5216      0.00000
      6      10.5914      0.00000
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      8      11.5579      0.00000
      9      15.8910      0.00000
     10      17.0170      0.00000
     11      19.0595      0.00000
     12      20.1711      0.00000
     13      21.8642      0.00000
     14      22.9268      0.00000
     15      24.4501      0.00000
     16      24.5402      0.00000

 k-point   301 :       0.1818   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.9903      2.00000
      2       0.6047      2.00000
      3       2.8888      2.00000
      4       3.8909      2.00000
      5       8.2450      0.00000
      6       9.6900      0.00000
      7      10.8202      0.00000
      8      12.5872      0.00000
      9      15.5580      0.00000
     10      16.9525      0.00000
     11      18.2172      0.00000
     12      18.6829      0.00000
     13      20.4313      0.00000
     14      21.0216      0.00000
     15      22.6083      0.00000
     16      24.4899      0.00000

 k-point   302 :       0.2727   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5583      2.00000
      2       0.0829      2.00000
      3       2.6616      2.00000
      4       3.7397      2.00000
      5       7.4234      0.00000
      6       9.2110      0.00000
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      8      12.6333      0.00000
      9      17.3108      0.00000
     10      17.4393      0.00000
     11      17.8831      0.00000
     12      18.2965      0.00000
     13      19.8909      0.00000
     14      21.8952      0.00000
     15      23.0055      0.00000
     16      24.6922      0.00000

 k-point   303 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4967      2.00000
      3       2.2847      2.00000
      4       3.2248      2.00000
      5       7.8862      0.00000
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      7      12.1826      0.00000
      8      14.3644      0.00000
      9      15.5161      0.00000
     10      17.4281      0.00000
     11      18.3567      0.00000
     12      20.2204      0.00000
     13      20.7221      0.00000
     14      21.3648      0.00000
     15      23.3564      0.00000
     16      23.9549      0.00000

 k-point   304 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.2549      2.00000
      2      -1.1211      2.00000
      3       2.1242      2.00000
      4       2.5162      2.00000
      5       8.9979      0.00000
      6       9.3194      0.00000
      7      11.7490      0.00000
      8      13.3614      0.00000
      9      15.8406      0.00000
     10      17.3261      0.00000
     11      18.7010      0.00000
     12      20.0623      0.00000
     13      21.8539      0.00000
     14      22.7220      0.00000
     15      23.2354      0.00000
     16      24.5190      0.00000

 k-point   305 :      -0.4545   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -1.9688      2.00000
      2      -1.3592      2.00000
      3       1.8349      2.00000
      4       2.5373      2.00000
      5       9.2912      0.00000
      6      10.7577      0.00000
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      8      11.6340      0.00000
      9      15.8416      0.00000
     10      16.9108      0.00000
     11      18.9939      0.00000
     12      20.2815      0.00000
     13      21.9352      0.00000
     14      22.9663      0.00000
     15      24.5483      0.00000
     16      24.5477      0.00000

 k-point   306 :       0.2727   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2245      2.00000
      2       1.1455      2.00000
      3       3.3720      2.00000
      4       3.8037      2.00000
      5       7.1826      0.00000
      6       8.5118      0.00000
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      9      16.0488      0.00000
     10      16.3258      0.00000
     11      18.3315      0.00000
     12      19.5367      0.00000
     13      20.0492      0.00000
     14      21.0198      0.00000
     15      22.1348      0.00000
     16      23.0331      0.00000

 k-point   307 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6438      2.00000
      2       0.3471      2.00000
      3       2.9557      2.00000
      4       3.3676      2.00000
      5       7.4467      0.00000
      6       8.3102      0.00000
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     10      17.4974      0.00000
     11      18.1576      0.00000
     12      19.4728      0.00000
     13      20.3926      0.00000
     14      21.0170      0.00000
     15      22.4692      0.00000
     16      23.1209      0.00000

 k-point   308 :      -0.5455   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9325      2.00000
      2      -0.4880      2.00000
      3       2.3083      2.00000
      4       3.1318      2.00000
      5       7.7117      0.00000
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     10      17.4150      0.00000
     11      18.2712      0.00000
     12      20.1600      0.00000
     13      20.8078      0.00000
     14      21.4575      0.00000
     15      23.3571      0.00000
     16      23.9591      0.00000

 k-point   309 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.3994      2.00000
      2      -1.0431      2.00000
      3       1.7586      2.00000
      4       3.2518      2.00000
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     10      16.2666      0.00000
     11      19.3588      0.00000
     12      20.5743      0.00000
     13      21.9251      0.00000
     14      22.3946      0.00000
     15      23.5713      0.00000
     16      24.6317      0.00000

 k-point   310 :      -0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.7860      2.00000
      2      -0.6485      2.00000
      3       1.6519      2.00000
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     10      14.8595      0.00000
     11      20.4314      0.00000
     12      20.8525      0.00000
     13      20.9356      0.00000
     14      22.9383      0.00000
     15      23.1367      0.00000
     16      23.9791      0.00000

 k-point   311 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7565      2.00000
      2       0.4869      2.00000
      3       3.3695      2.00000
      4       3.5272      2.00000
      5       6.6609      0.00000
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      9      16.3976      0.00000
     10      16.8303      0.00000
     11      19.3741      0.00000
     12      19.4258      0.00000
     13      19.8189      0.00000
     14      21.6589      0.00000
     15      21.9275      0.00000
     16      22.8601      0.00000

 k-point   312 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1168      2.00000
      2      -0.3405      2.00000
      3       2.9511      2.00000
      4       3.2626      2.00000
      5       6.8162      0.00000
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      9      17.5874      0.00000
     10      17.8220      0.00000
     11      17.9752      0.00000
     12      18.3329      0.00000
     13      20.9339      0.00000
     14      21.3197      0.00000
     15      21.9960      0.00000
     16      23.9981      0.00000

 k-point   313 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3983      2.00000
      2      -1.0863      2.00000
      3       2.1137      2.00000
      4       3.3418      2.00000
      5       6.9616      0.00000
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     10      15.9589      0.00000
     11      19.5001      0.00000
     12      20.0618      0.00000
     13      21.6159      0.00000
     14      21.6272      0.00000
     15      22.4020      0.00000
     16      24.4625      0.00000

 k-point   314 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.2734      2.00000
      2      -1.1688      2.00000
      3       1.5925      2.00000
      4       3.5996      2.00000
      5       7.2531      0.00000
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     10      14.3166      0.00000
     11      21.1344      0.00000
     12      21.3437      0.00000
     13      21.7937      0.00000
     14      21.9410      0.00000
     15      22.0885      0.00000
     16      23.9237      0.00000

 k-point   315 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6438      2.00000
      2       0.3471      2.00000
      3       2.9559      2.00000
      4       3.3674      2.00000
      5       7.4465      0.00000
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     10      17.4951      0.00000
     11      18.1554      0.00000
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     13      20.3939      0.00000
     14      21.0187      0.00000
     15      22.4693      0.00000
     16      23.1218      0.00000

 k-point   316 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9325      2.00000
      2      -0.4879      2.00000
      3       2.3085      2.00000
      4       3.1319      2.00000
      5       7.7113      0.00000
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      7      12.1544      0.00000
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     10      17.4169      0.00000
     11      18.2740      0.00000
     12      20.1580      0.00000
     13      20.8087      0.00000
     14      21.4600      0.00000
     15      23.3562      0.00000
     16      23.9597      0.00000

 k-point   317 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.3994      2.00000
      2      -1.0430      2.00000
      3       1.7586      2.00000
      4       3.2521      2.00000
      5       7.9287      0.00000
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     10      16.2691      0.00000
     11      19.3608      0.00000
     12      20.5752      0.00000
     13      21.9256      0.00000
     14      22.3941      0.00000
     15      23.5720      0.00000
     16      24.6298      0.00000

 k-point   318 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.7859      2.00000
      2      -0.6485      2.00000
      3       1.6519      2.00000
      4       3.5932      2.00000
      5       8.3220      0.00000
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     10      14.8617      0.00000
     11      20.4317      0.00000
     12      20.8547      0.00000
     13      20.9365      0.00000
     14      22.9399      0.00000
     15      23.1365      0.00000
     16      23.9769      0.00000

 k-point   319 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0576      2.00000
      3       2.1812      2.00000
      4       3.3807      2.00000
      5       9.1307      0.00000
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      7      10.4524      0.00000
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     10      15.7255      0.00000
     11      19.7523      0.00000
     12      20.2981      0.00000
     13      20.4488      0.00000
     14      20.8662      0.00000
     15      23.0436      0.00000
     16      24.3470      0.00000

 k-point   320 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2      -0.7876      2.00000
      3       1.8788      2.00000
      4       3.0429      2.00000
      5       9.4084      0.00000
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      7      11.3515      0.00000
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     10      16.8736      0.00000
     11      18.7388      0.00000
     12      20.2502      0.00000
     13      21.8245      0.00000
     14      22.7057      0.00000
     15      23.2750      0.00000
     16      25.1400      0.00000

 k-point   321 :       0.7273    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6065      2.00000
      2      -0.8276      2.00000
      3       1.8851      2.00000
      4       3.0453      2.00000
      5       9.4693      0.00000
      6       9.8090      0.00000
      7      11.1557      0.00000
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     10      16.7947      0.00000
     11      18.8029      0.00000
     12      20.2459      0.00000
     13      21.8085      0.00000
     14      22.9384      0.00000
     15      23.2798      0.00000
     16      24.9027      0.00000

 k-point   322 :      -0.1818    0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.2743      2.00000
      2      -0.1041      2.00000
      3       2.1855      2.00000
      4       3.3843      2.00000
      5       9.1170      0.00000
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      7      10.3300      0.00000
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     10      15.6182      0.00000
     11      19.7522      0.00000
     12      20.4593      0.00000
     13      20.4634      0.00000
     14      20.9111      0.00000
     15      23.0611      0.00000
     16      24.4646      0.00000

 k-point   323 :       0.6364    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.8550      2.00000
      2      -0.5983      2.00000
      3       1.6506      2.00000
      4       3.6301      2.00000
      5       8.4026      0.00000
      6      11.1533      0.00000
      7      11.9739      0.00000
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     10      14.9586      0.00000
     11      20.3721      0.00000
     12      20.8326      0.00000
     13      20.9549      0.00000
     14      22.8812      0.00000
     15      22.9157      0.00000
     16      24.0316      0.00000

 k-point   324 :       0.7273    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.4171      2.00000
      2      -1.0457      2.00000
      3       1.7542      2.00000
      4       3.3010      2.00000
      5       8.0052      0.00000
      6      10.7144      0.00000
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     10      16.3295      0.00000
     11      19.2945      0.00000
     12      20.4722      0.00000
     13      22.0436      0.00000
     14      22.5192      0.00000
     15      23.5943      0.00000
     16      24.4593      0.00000

 k-point   325 :       0.8182    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9033      2.00000
      2      -0.5380      2.00000
      3       2.3010      2.00000
      4       3.1898      2.00000
      5       7.7777      0.00000
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     10      17.3492      0.00000
     11      18.3052      0.00000
     12      20.3706      0.00000
     13      20.7339      0.00000
     14      21.4151      0.00000
     15      23.2748      0.00000
     16      23.9451      0.00000

 k-point   326 :      -0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.6185      2.00000
      2       0.3151      2.00000
      3       2.9700      2.00000
      4       3.3832      2.00000
      5       7.4315      0.00000
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     10      17.6855      0.00000
     11      18.3420      0.00000
     12      19.4488      0.00000
     13      20.4002      0.00000
     14      20.9632      0.00000
     15      22.5221      0.00000
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 k-point   327 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.7552      2.00000
      2       0.4885      2.00000
      3       3.4471      2.00000
      4       3.4476      2.00000
      5       6.6651      0.00000
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     10      16.8421      0.00000
     11      19.3755      0.00000
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     13      19.8208      0.00000
     14      21.6599      0.00000
     15      21.9137      0.00000
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 k-point   328 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3528      2.00000
      2      -1.1140      2.00000
      3       1.5857      2.00000
      4       3.6666      2.00000
      5       7.3257      0.00000
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     10      14.3714      0.00000
     11      21.0796      0.00000
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     14      21.9599      0.00000
     15      22.1579      0.00000
     16      23.8142      0.00000

 k-point   329 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3953      2.00000
      2      -1.1100      2.00000
      3       2.0966      2.00000
      4       3.4131      2.00000
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     10      16.1599      0.00000
     11      19.5276      0.00000
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     13      21.3777      0.00000
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     15      22.3023      0.00000
     16      24.5618      0.00000

 k-point   330 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.1050      2.00000
      2      -0.3616      2.00000
      3       2.9092      2.00000
      4       3.3377      2.00000
      5       6.8691      0.00000
      6       7.6854      0.00000
      7      14.2227      0.00000
      8      14.3285      0.00000
      9      17.6006      0.00000
     10      17.8995      0.00000
     11      18.0723      0.00000
     12      18.4553      0.00000
     13      20.8199      0.00000
     14      21.2366      0.00000
     15      21.8652      0.00000
     16      24.1082      0.00000

 k-point   331 :       0.0000    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.1323      2.00000
      2      -0.3247      2.00000
      3       2.8780      2.00000
      4       3.3437      2.00000
      5       6.8739      0.00000
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      7      14.3264      0.00000
      8      14.4644      0.00000
      9      17.5409      0.00000
     10      17.7075      0.00000
     11      17.8981      0.00000
     12      18.3329      0.00000
     13      20.9506      0.00000
     14      21.3891      0.00000
     15      22.0609      0.00000
     16      24.0584      0.00000

 k-point   332 :       0.0909    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.6663      2.00000
      2       0.3817      2.00000
      3       2.9519      2.00000
      4       3.3387      2.00000
      5       7.4796      0.00000
      6       8.3365      0.00000
      7      12.6458      0.00000
      8      13.9901      0.00000
      9      16.4063      0.00000
     10      17.3008      0.00000
     11      17.9795      0.00000
     12      19.4953      0.00000
     13      20.3889      0.00000
     14      21.0676      0.00000
     15      22.3999      0.00000
     16      23.2025      0.00000

 k-point   333 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.9225      2.00000
      2      -1.5420      2.00000
      3       2.0772      2.00000
      4       2.9628      2.00000
      5       7.6594      0.00000
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      7      13.6190      0.00000
      8      13.8528      0.00000
      9      15.9012      0.00000
     10      16.5901      0.00000
     11      19.2450      0.00000
     12      20.1043      0.00000
     13      21.8406      0.00000
     14      22.5491      0.00000
     15      22.9276      0.00000
     16      23.4091      0.00000

 k-point   334 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.4455      2.00000
      2      -1.0835      2.00000
      3       2.7635      2.00000
      4       2.8885      2.00000
      5       7.3755      0.00000
      6       7.6422      0.00000
      7      14.0845      0.00000
      8      15.5891      0.00000
      9      16.0368      0.00000
     10      17.5849      0.00000
     11      18.3082      0.00000
     12      19.8630      0.00000
     13      20.1220      0.00000
     14      21.6966      0.00000
     15      22.8155      0.00000
     16      24.3329      0.00000

 k-point   335 :       0.0000   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.4539      2.00000
      2      -1.0437      2.00000
      3       2.0779      2.00000
      4       3.4192      2.00000
      5       7.0418      0.00000
      6       8.9373      0.00000
      7      14.0431      0.00000
      8      14.3581      0.00000
      9      15.7973      0.00000
     10      15.9746      0.00000
     11      19.4109      0.00000
     12      20.0594      0.00000
     13      21.6241      0.00000
     14      21.7453      0.00000
     15      22.3812      0.00000
     16      24.2478      0.00000

 k-point   336 :       0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.9834      2.00000
      2      -0.4473      2.00000
      3       2.2922      2.00000
      4       3.1652      2.00000
      5       7.8198      0.00000
      6       9.1733      0.00000
      7      12.3022      0.00000
      8      14.3585      0.00000
      9      15.3064      0.00000
     10      17.4923      0.00000
     11      18.3214      0.00000
     12      19.9997      0.00000
     13      20.8215      0.00000
     14      21.4017      0.00000
     15      23.4199      0.00000
     16      23.9508      0.00000

 k-point   337 :       0.1818   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.3687      2.00000
      2      -0.0121      2.00000
      3       2.1741      2.00000
      4       3.3793      2.00000
      5       9.1851      0.00000
      6       9.8017      0.00000
      7      10.5664      0.00000
      8      13.8984      0.00000
      9      14.9290      0.00000
     10      15.8291      0.00000
     11      19.7517      0.00000
     12      20.1094      0.00000
     13      20.4465      0.00000
     14      20.8393      0.00000
     15      23.0129      0.00000
     16      24.2304      0.00000

 k-point   338 :       0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4968      2.00000
      2      -0.9703      2.00000
      3       1.7616      2.00000
      4       3.2945      2.00000
      5       8.0308      0.00000
      6      10.7494      0.00000
      7      12.0058      0.00000
      8      13.3102      0.00000
      9      14.2806      0.00000
     10      16.3428      0.00000
     11      19.4551      0.00000
     12      20.5931      0.00000
     13      21.7979      0.00000
     14      22.2374      0.00000
     15      23.4408      0.00000
     16      24.6911      0.00000

 k-point   339 :       0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.7273      2.00000
      2      -0.7273      2.00000
      3       1.9001      2.00000
      4       3.0556      2.00000
      5       9.5324      0.00000
      6      10.0114      0.00000
      7      11.2554      0.00000
      8      12.9183      0.00000
      9      14.3567      0.00000
     10      16.9685      0.00000
     11      18.8335      0.00000
     12      20.2417      0.00000
     13      21.7234      0.00000
     14      22.4897      0.00000
     15      23.2214      0.00000
     16      24.9725      0.00000

 k-point   340 :       0.2727    0.6364    0.3636
  band No.  band energies     occupation 
      1      -2.9205      2.00000
      2      -0.5529      2.00000
      3       1.6481      2.00000
      4       3.6698      2.00000
      5       8.4848      0.00000
      6      11.2118      0.00000
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      8      12.6756      0.00000
      9      13.8002      0.00000
     10      15.0585      0.00000
     11      20.3342      0.00000
     12      20.8686      0.00000
     13      20.8773      0.00000
     14      22.6645      0.00000
     15      22.9115      0.00000
     16      24.0980      0.00000

 k-point   341 :       0.1818    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.6957      2.00000
      2      -0.7636      2.00000
      3       1.9075      2.00000
      4       3.0569      2.00000
      5       9.5853      0.00000
      6       9.9508      0.00000
      7      11.0619      0.00000
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      9      14.3420      0.00000
     10      16.8883      0.00000
     11      18.9010      0.00000
     12      20.2389      0.00000
     13      21.7090      0.00000
     14      22.7185      0.00000
     15      23.2150      0.00000
     16      24.7472      0.00000

 k-point   342 :       0.2727    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.5157      2.00000
      2      -0.9741      2.00000
      3       1.7567      2.00000
      4       3.3454      2.00000
      5       8.1091      0.00000
      6      10.5900      0.00000
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      8      13.5339      0.00000
      9      14.2923      0.00000
     10      16.4081      0.00000
     11      19.3923      0.00000
     12      20.4858      0.00000
     13      21.9384      0.00000
     14      22.3462      0.00000
     15      23.4572      0.00000
     16      24.5310      0.00000

 k-point   343 :       0.3636    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.4290      2.00000
      2      -1.0650      2.00000
      3       1.5785      2.00000
      4       3.7352      2.00000
      5       7.4012      0.00000
      6      10.5157      0.00000
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      8      13.9094      0.00000
      9      14.3486      0.00000
     10      14.4018      0.00000
     11      21.0779      0.00000
     12      21.3190      0.00000
     13      21.8440      0.00000
     14      21.8505      0.00000
     15      22.0684      0.00000
     16      23.7005      0.00000

 k-point   344 :       0.2727    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4966      2.00000
      3       2.2848      2.00000
      4       3.2249      2.00000
      5       7.8858      0.00000
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      8      14.3666      0.00000
      9      15.5137      0.00000
     10      17.4301      0.00000
     11      18.3594      0.00000
     12      20.2186      0.00000
     13      20.7230      0.00000
     14      21.3673      0.00000
     15      23.3552      0.00000
     16      23.9559      0.00000

 k-point   345 :       0.3636    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.4577      2.00000
      2      -1.0643      2.00000
      3       2.0612      2.00000
      4       3.4920      2.00000
      5       7.1189      0.00000
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     10      16.0561      0.00000
     11      19.4859      0.00000
     12      20.1620      0.00000
     13      21.4636      0.00000
     14      21.5765      0.00000
     15      22.2775      0.00000
     16      24.3405      0.00000

 k-point   346 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.9956      2.00000
      2      -1.4825      2.00000
      3       2.0496      2.00000
      4       3.0184      2.00000
      5       7.7606      0.00000
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      7      13.6198      0.00000
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      9      15.9439      0.00000
     10      16.6146      0.00000
     11      19.2922      0.00000
     12      20.0192      0.00000
     13      21.8589      0.00000
     14      22.4891      0.00000
     15      22.9303      0.00000
     16      23.3407      0.00000

 k-point   347 :       0.3636   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.1245      2.00000
      2      -0.3468      2.00000
      3       2.8373      2.00000
      4       3.4203      2.00000
      5       6.9190      0.00000
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      9      17.5914      0.00000
     10      17.8344      0.00000
     11      17.9467      0.00000
     12      18.4251      0.00000
     13      20.8724      0.00000
     14      21.2915      0.00000
     15      21.9193      0.00000
     16      24.1724      0.00000

 k-point   348 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0819      2.00000
      3       2.7412      2.00000
      4       2.9115      2.00000
      5       7.3423      0.00000
      6       7.6787      0.00000
      7      14.0889      0.00000
      8      15.6006      0.00000
      9      16.0412      0.00000
     10      17.5947      0.00000
     11      18.3042      0.00000
     12      19.8368      0.00000
     13      20.1307      0.00000
     14      21.7018      0.00000
     15      22.8294      0.00000
     16      24.3139      0.00000

 k-point   349 :      -0.4545   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -1.8491      2.00000
      2      -1.6051      2.00000
      3       2.1047      2.00000
      4       2.9076      2.00000
      5       7.5620      0.00000
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      9      15.9203      0.00000
     10      16.5152      0.00000
     11      19.2483      0.00000
     12      20.1187      0.00000
     13      21.8166      0.00000
     14      22.6276      0.00000
     15      23.0279      0.00000
     16      23.3898      0.00000

 k-point   350 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5260      2.00000
      2      -1.0875      2.00000
      3       3.1032      2.00000
      4       3.2659      2.00000
      5       6.5940      0.00000
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      7      15.7272      0.00000
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     10      17.7767      0.00000
     11      17.8444      0.00000
     12      18.6453      0.00000
     13      19.6021      0.00000
     14      19.9759      0.00000
     15      24.0484      0.00000
     16      25.0120      0.00000

 k-point   351 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.8104      2.00000
      2      -1.7944      2.00000
      3       2.7854      2.00000
      4       3.1303      2.00000
      5       6.7105      0.00000
      6       7.5033      0.00000
      7      15.7078      0.00000
      8      15.9349      0.00000
      9      16.3426      0.00000
     10      16.4408      0.00000
     11      19.3627      0.00000
     12      19.4222      0.00000
     13      19.6952      0.00000
     14      20.4072      0.00000
     15      24.2397      0.00000
     16      24.4752      0.00000

 k-point   352 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0818      2.00000
      3       2.7413      2.00000
      4       2.9116      2.00000
      5       7.3421      0.00000
      6       7.6785      0.00000
      7      14.0864      0.00000
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     10      17.5973      0.00000
     11      18.3067      0.00000
     12      19.8395      0.00000
     13      20.1285      0.00000
     14      21.6988      0.00000
     15      22.8300      0.00000
     16      24.3152      0.00000

 k-point   353 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -1.8491      2.00000
      2      -1.6051      2.00000
      3       2.1048      2.00000
      4       2.9078      2.00000
      5       7.5615      0.00000
      6       9.0713      0.00000
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     10      16.5179      0.00000
     11      19.2509      0.00000
     12      20.1212      0.00000
     13      21.8141      0.00000
     14      22.6250      0.00000
     15      23.0281      0.00000
     16      23.3906      0.00000

 k-point   354 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2      -1.1209      2.00000
      3       2.1245      2.00000
      4       2.5162      2.00000
      5       8.9973      0.00000
      6       9.3188      0.00000
      7      11.7467      0.00000
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     10      17.3283      0.00000
     11      18.7037      0.00000
     12      20.0651      0.00000
     13      21.8550      0.00000
     14      22.7198      0.00000
     15      23.2358      0.00000
     16      24.5189      0.00000

 k-point   355 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -1.9687      2.00000
      2      -1.3590      2.00000
      3       1.8349      2.00000
      4       2.5375      2.00000
      5       9.2904      0.00000
      6      10.7564      0.00000
      7      11.4697      0.00000
      8      11.6325      0.00000
      9      15.8437      0.00000
     10      16.9132      0.00000
     11      18.9960      0.00000
     12      20.2837      0.00000
     13      21.9361      0.00000
     14      22.9681      0.00000
     15      24.5450      0.00000
     16      24.5493      0.00000

 k-point   356 :       0.7273    0.2727    0.4545
  band No.  band energies     occupation 
      1      -2.0472      2.00000
      2      -1.2888      2.00000
      3       1.8334      2.00000
      4       2.5533      2.00000
      5       9.4054      0.00000
      6      10.6742      0.00000
      7      11.3931      0.00000
      8      11.6730      0.00000
      9      15.8674      0.00000
     10      16.9659      0.00000
     11      19.0237      0.00000
     12      20.2312      0.00000
     13      21.9020      0.00000
     14      22.9502      0.00000
     15      24.4146      0.00000
     16      24.6076      0.00000

 k-point   357 :      -0.1818    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.1937      2.00000
      2      -1.1824      2.00000
      3       2.1175      2.00000
      4       2.5273      2.00000
      5       9.0523      0.00000
      6       9.2334      0.00000
      7      11.5956      0.00000
      8      13.5487      0.00000
      9      15.8129      0.00000
     10      17.2926      0.00000
     11      18.6768      0.00000
     12      20.0862      0.00000
     13      21.8414      0.00000
     14      22.9279      0.00000
     15      23.2099      0.00000
     16      24.4266      0.00000

 k-point   358 :       0.8182    0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.9273      2.00000
      2      -1.5370      2.00000
      3       2.0767      2.00000
      4       2.9626      2.00000
      5       7.6597      0.00000
      6       8.9368      0.00000
      7      13.5250      0.00000
      8      13.9496      0.00000
      9      15.9316      0.00000
     10      16.5649      0.00000
     11      19.2684      0.00000
     12      20.0679      0.00000
     13      21.7857      0.00000
     14      22.5980      0.00000
     15      22.9667      0.00000
     16      23.3988      0.00000

 k-point   359 :      -0.0909    0.3636   -0.5455
  band No.  band energies     occupation 
      1      -2.4157      2.00000
      2      -1.1176      2.00000
      3       2.7584      2.00000
      4       2.9054      2.00000
      5       7.3736      0.00000
      6       7.6232      0.00000
      7      13.9295      0.00000
      8      15.6947      0.00000
      9      16.1143      0.00000
     10      17.5854      0.00000
     11      18.2974      0.00000
     12      19.8547      0.00000
     13      20.3026      0.00000
     14      21.5148      0.00000
     15      22.7009      0.00000
     16      24.2569      0.00000

 k-point   360 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.5225      2.00000
      2      -1.0887      2.00000
      3       3.1837      2.00000
      4       3.1839      2.00000
      5       6.6138      0.00000
      6       6.9376      0.00000
      7      15.7345      0.00000
      8      15.7441      0.00000
      9      17.7355      0.00000
     10      17.7421      0.00000
     11      17.8570      0.00000
     12      18.6630      0.00000
     13      19.6089      0.00000
     14      19.9783      0.00000
     15      24.0149      0.00000
     16      24.9524      0.00000

 k-point   361 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.8617      2.00000
      2      -1.7457      2.00000
      3       2.7234      2.00000
      4       3.2098      2.00000
      5       6.7944      0.00000
      6       7.3964      0.00000
      7      15.6521      0.00000
      8      15.9918      0.00000
      9      16.3406      0.00000
     10      16.4705      0.00000
     11      19.2926      0.00000
     12      19.4290      0.00000
     13      19.8075      0.00000
     14      20.3290      0.00000
     15      24.0806      0.00000
     16      24.5219      0.00000

 k-point   362 :       0.0909   -0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.4752      2.00000
      2      -1.0493      2.00000
      3       2.7699      2.00000
      4       2.8694      2.00000
      5       7.3783      0.00000
      6       7.6612      0.00000
      7      14.2428      0.00000
      8      15.4514      0.00000
      9      16.0146      0.00000
     10      17.5987      0.00000
     11      18.3077      0.00000
     12      19.8420      0.00000
     13      19.9424      0.00000
     14      21.8772      0.00000
     15      22.9729      0.00000
     16      24.3638      0.00000

 k-point   363 :       0.1818   -0.3636    0.4545
  band No.  band energies     occupation 
      1      -2.3065      2.00000
      2      -1.0664      2.00000
      3       2.1322      2.00000
      4       2.5026      2.00000
      5       9.0627      0.00000
      6       9.2814      0.00000
      7      11.8981      0.00000
      8      13.1693      0.00000
      9      15.8707      0.00000
     10      17.3585      0.00000
     11      18.7328      0.00000
     12      20.0320      0.00000
     13      21.8528      0.00000
     14      22.5453      0.00000
     15      23.2498      0.00000
     16      24.5663      0.00000

 k-point   364 :       0.2727    0.7273    0.4545
  band No.  band energies     occupation 
      1      -2.1143      2.00000
      2      -1.2311      2.00000
      3       1.8314      2.00000
      4       2.5704      2.00000
      5       9.5208      0.00000
      6      10.5904      0.00000
      7      11.4761      0.00000
      8      11.5558      0.00000
      9      15.8931      0.00000
     10      17.0194      0.00000
     11      19.0616      0.00000
     12      20.1734      0.00000
     13      21.8652      0.00000
     14      22.9286      0.00000
     15      24.4481      0.00000
     16      24.5407      0.00000

 k-point   365 :       0.3636    0.8182    0.4545
  band No.  band energies     occupation 
      1      -1.9956      2.00000
      2      -1.4824      2.00000
      3       2.0497      2.00000
      4       3.0187      2.00000
      5       7.7602      0.00000
      6       8.8042      0.00000
      7      13.6173      0.00000
      8      13.8915      0.00000
      9      15.9463      0.00000
     10      16.6173      0.00000
     11      19.2949      0.00000
     12      20.0219      0.00000
     13      21.8565      0.00000
     14      22.4864      0.00000
     15      22.9303      0.00000
     16      23.3415      0.00000

 k-point   366 :       0.4545    0.9091    0.4545
  band No.  band energies     occupation 
      1      -1.9263      2.00000
      2      -1.6883      2.00000
      3       2.6627      2.00000
      4       3.2906      2.00000
      5       6.8809      0.00000
      6       7.2922      0.00000
      7      15.6762      0.00000
      8      16.0489      0.00000
      9      16.3395      0.00000
     10      16.4521      0.00000
     11      19.3131      0.00000
     12      19.4237      0.00000
     13      19.8690      0.00000
     14      20.2154      0.00000
     15      24.0492      0.00000
     16      24.4464      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001  -0.000   0.000   0.001   0.000  -0.000   0.000
 -0.001   0.006   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   4.176  -0.000   0.000  -0.005   0.000  -0.000
  0.000  -0.000  -0.000   4.176  -0.000   0.000  -0.005   0.000
  0.001   0.000   0.000  -0.000   4.176  -0.000   0.000  -0.005
  0.000  -0.000  -0.005   0.000  -0.000   0.005  -0.000   0.000
 -0.000   0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
  0.000  -0.000  -0.000   0.000  -0.005   0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821   0.000   0.000  -0.004   0.000  -0.000   0.012
 -0.821   0.832   0.000   0.000   0.012   0.000  -0.000  -0.016
  0.000   0.000   1.047  -0.011  -0.000  -0.590   0.006   0.000
  0.000   0.000  -0.011   1.046   0.000   0.006  -0.589  -0.000
 -0.004   0.012  -0.000   0.000   1.046   0.000  -0.000  -0.589
  0.000   0.000  -0.590   0.006   0.000   0.391  -0.004  -0.000
 -0.000  -0.000   0.006  -0.589  -0.000  -0.004   0.391   0.000
  0.012  -0.016   0.000  -0.000  -0.589  -0.000   0.000   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0540: real time    0.0547
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0240: real time    0.0237
    STRESS:  cpu time    0.3749: real time    0.3745
    FORCOR:  cpu time    0.0040: real time    0.0040
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.76086   -76.73294   -76.78369     0.00000    -1.29535     0.00000
  Hartree     4.88208     4.89348     4.88213     0.00000    -0.31183     0.00000
  E(xc)     -25.50572   -25.50574   -25.50536     0.00000     0.01180     0.00000
  Local     -28.92949   -28.97206   -28.90974     0.00001     1.59062     0.00001
  n-local    78.31591    78.31801    78.30923    -0.17239    -0.23088     1.39447
  augment   -11.66339   -11.66413   -11.66332    -0.00001     0.02703    -0.00001
  Kinetic    57.25835    57.26631    57.26397    -0.01375    -0.20368     1.73469
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.03769     1.04374     1.03404    -0.00000    -0.41229     0.00000
  in kB      42.48428    42.73182    42.33470    -0.00000   -16.87975     0.00000
  external pressure =       42.52 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.040420200     0.185550789  0.188334051 -0.185550789
     0.000000000  2.694680000  2.735100200    -0.185550789  0.182767527  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.188334051  0.185550789

  length of vectors
     3.811067357  3.839540781  3.810853002     0.322998305  0.319784552  0.322998305


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.156E+01 0.217E-06 0.195E-06   0.120E+01 0.332E-14 0.112E-14   0.532E+00 -.797E-16 -.573E-17   -.582E-04 0.735E-05 -.164E-04
   0.156E+01 -.217E-06 -.195E-06   -.120E+01 -.359E-14 -.127E-14   -.532E+00 0.597E-16 0.264E-17   0.582E-04 -.735E-05 0.164E-04
 -----------------------------------------------------------------------------------------------
   -.488E-14 0.319E-13 -.439E-13   0.000E+00 -.274E-15 -.153E-15   0.000E+00 -.200E-16 -.308E-17   0.231E-14 0.389E-16 -.117E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.164734      0.000000      0.000000
      1.34734      1.34734      1.36755        -0.164734     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82180404 eV

  energy  without entropy=      -10.82180404  energy(sigma->0) =      -10.82180404
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.2476000E-07-0.248E-07
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0057


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   5/  7
  Displacement:        1/  2
  Total:               9/ 14
  LATTYP: Found a base centered monoclinic cell.
 ALAT       =     5.3893600000
 B/A-ratio  =     1.0000000000
 C/A-ratio  =     2.5421558272
 COS(beta)  =    -0.6932948929
  
  Lattice vectors:
  
 A1 = (   2.6946800000,   0.0000000000,   2.6946800000)
 A2 = (  -2.6946800000,   0.0000000000,   2.6946800000)
 A3 = (   0.0000000000,  -2.6946800000, -13.4329798000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  2 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000     0.000001     1.000000     0.000000     0.000000     0.250000    -0.750000    -0.750000
    4    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000    -0.750000    -0.750000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    366 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909  0.000000 -0.000000      4.000000
  0.181818  0.000000 -0.000000      4.000000
  0.272727  0.000000 -0.000000      4.000000
  0.363636  0.000000 -0.000000      4.000000
  0.454545  0.000000  0.000000      4.000000
  0.000000  0.090909  0.000000      4.000000
  0.090909  0.090909  0.000000      2.000000
  0.181818  0.090909 -0.000000      4.000000
  0.272727  0.090909 -0.000000      4.000000
  0.363636  0.090909 -0.000000      4.000000
  0.454545  0.090909 -0.000000      4.000000
 -0.454545  0.090909  0.000000      4.000000
 -0.363636  0.090909 -0.000000      4.000000
 -0.272727  0.090909  0.000000      4.000000
 -0.181818  0.090909  0.000000      4.000000
 -0.090909  0.090909  0.000000      4.000000
  0.000000  0.181818  0.000000      4.000000
  0.090909  0.181818  0.000000      4.000000
  0.181818  0.181818  0.000000      2.000000
  0.272727  0.181818  0.000000      4.000000
  0.363636  0.181818 -0.000000      4.000000
  0.454545  0.181818  0.000000      4.000000
 -0.454545  0.181818  0.000000      4.000000
 -0.363636  0.181818  0.000000      4.000000
 -0.272727  0.181818 -0.000000      4.000000
 -0.181818  0.181818  0.000000      4.000000
 -0.090909  0.181818  0.000000      4.000000
 -0.000000  0.272727  0.000000      4.000000
  0.090909  0.272727  0.000000      4.000000
  0.181818  0.272727  0.000000      4.000000
  0.272727  0.272727  0.000000      2.000000
  0.363636  0.272727  0.000000      4.000000
  0.454545  0.272727  0.000000      4.000000
 -0.454545  0.272727 -0.000000      4.000000
 -0.363636  0.272727 -0.000000      4.000000
 -0.272727  0.272727  0.000000      4.000000
 -0.181818  0.272727  0.000000      4.000000
 -0.090909  0.272727  0.000000      4.000000
  0.000000  0.363636  0.000000      4.000000
  0.090909  0.363636  0.000000      4.000000
  0.181818  0.363636  0.000000      4.000000
  0.272727  0.363636  0.000000      4.000000
  0.363636  0.363636  0.000000      2.000000
  0.454545  0.363636  0.000000      4.000000
 -0.454545  0.363636  0.000000      4.000000
 -0.363636  0.363636  0.000000      4.000000
 -0.272727  0.363636  0.000000      4.000000
 -0.181818  0.363636  0.000000      4.000000
 -0.090909  0.363636 -0.000000      4.000000
 -0.000000  0.454545  0.000000      4.000000
  0.090909  0.454545  0.000000      4.000000
  0.181818  0.454545  0.000000      4.000000
  0.272727  0.454545  0.000000      4.000000
  0.363636  0.454545  0.000000      4.000000
  0.454545  0.454545  0.000000      2.000000
 -0.454545  0.454545  0.000000      4.000000
 -0.363636  0.454545  0.000000      4.000000
 -0.272727  0.454545 -0.000000      4.000000
 -0.181818  0.454545 -0.000000      4.000000
 -0.090909  0.454545  0.000000      4.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818  0.000000  0.090909      4.000000
  0.272727  0.000000  0.090909      4.000000
  0.363636  0.000000  0.090909      4.000000
  0.454545  0.000000  0.090909      4.000000
 -0.454545 -0.000000  0.090909      4.000000
 -0.363636 -0.000000  0.090909      4.000000
 -0.272727 -0.000000  0.090909      4.000000
 -0.181818 -0.000000  0.090909      4.000000
 -0.090909 -0.000000  0.090909      2.000000
  0.000000  0.090909  0.090909      2.000000
  0.181818  0.090909  0.090909      4.000000
  0.272727  0.090909  0.090909      4.000000
  0.363636  0.090909  0.090909      4.000000
  0.454545  0.090909  0.090909      4.000000
 -0.454545  0.090909  0.090909      4.000000
 -0.363636  0.090909  0.090909      4.000000
 -0.272727  0.090909  0.090909      4.000000
 -0.181818  0.090909  0.090909      4.000000
 -0.090909  0.090909  0.090909      4.000000
  0.000000  0.181818  0.090909      4.000000
  0.090909  0.181818  0.090909      2.000000
  0.272727  0.181818  0.090909      4.000000
  0.363636  0.181818  0.090909      4.000000
  0.454545  0.181818  0.090909      4.000000
 -0.454545  0.181818  0.090909      4.000000
 -0.363636  0.181818  0.090909      4.000000
 -0.272727  0.181818  0.090909      4.000000
 -0.181818  0.181818  0.090909      4.000000
 -0.090909  0.181818  0.090909      4.000000
 -0.000000  0.272727  0.090909      4.000000
  0.090909  0.272727  0.090909      4.000000
  0.181818  0.272727  0.090909      2.000000
  0.363636  0.272727  0.090909      4.000000
  0.454545  0.272727  0.090909      4.000000
 -0.454545  0.272727  0.090909      4.000000
 -0.363636  0.272727  0.090909      4.000000
 -0.272727  0.272727  0.090909      4.000000
 -0.181818  0.272727  0.090909      4.000000
 -0.090909  0.272727  0.090909      4.000000
 -0.000000  0.363636  0.090909      4.000000
  0.090909  0.363636  0.090909      4.000000
  0.181818  0.363636  0.090909      4.000000
  0.272727  0.363636  0.090909      2.000000
  0.454545  0.363636  0.090909      4.000000
 -0.454545  0.363636  0.090909      4.000000
 -0.363636  0.363636  0.090909      4.000000
 -0.272727  0.363636  0.090909      4.000000
 -0.181818  0.363636  0.090909      4.000000
 -0.090909  0.363636  0.090909      4.000000
 -0.000000  0.454545  0.090909      4.000000
  0.090909  0.454545  0.090909      4.000000
  0.181818  0.454545  0.090909      4.000000
  0.272727  0.454545  0.090909      4.000000
  0.363636  0.454545  0.090909      2.000000
 -0.454545  0.454545  0.090909      4.000000
 -0.363636  0.454545  0.090909      4.000000
 -0.272727  0.454545  0.090909      4.000000
 -0.181818  0.454545  0.090909      4.000000
 -0.090909  0.454545  0.090909      4.000000
 -0.000000 -0.454545  0.090909      4.000000
  0.090909 -0.454545  0.090909      4.000000
  0.181818 -0.454545  0.090909      4.000000
  0.272727 -0.454545  0.090909      4.000000
  0.363636 -0.454545  0.090909      4.000000
  0.454545 -0.454545  0.090909      2.000000
 -0.272727 -0.454545  0.090909      4.000000
 -0.181818 -0.454545  0.090909      4.000000
 -0.090909 -0.454545  0.090909      4.000000
  0.000000 -0.363636  0.090909      4.000000
  0.090909 -0.363636  0.090909      4.000000
  0.181818 -0.363636  0.090909      4.000000
  0.272727 -0.363636  0.090909      4.000000
  0.363636 -0.363636  0.090909      4.000000
  0.454545 -0.363636  0.090909      4.000000
 -0.454545 -0.363636  0.090909      2.000000
 -0.181818 -0.363636  0.090909      4.000000
 -0.090909 -0.363636  0.090909      4.000000
  0.000000 -0.272727  0.090909      4.000000
  0.090909 -0.272727  0.090909      4.000000
  0.181818 -0.272727  0.090909      4.000000
  0.272727 -0.272727  0.090909      4.000000
  0.363636 -0.272727  0.090909      4.000000
  0.454545 -0.272727  0.090909      4.000000
 -0.454545 -0.272727  0.090909      4.000000
 -0.363636 -0.272727  0.090909      2.000000
 -0.090909 -0.272727  0.090909      4.000000
 -0.000000 -0.181818  0.090909      4.000000
  0.090909 -0.181818  0.090909      4.000000
  0.181818 -0.181818  0.090909      4.000000
  0.272727 -0.181818  0.090909      4.000000
  0.363636 -0.181818  0.090909      4.000000
  0.454545 -0.181818  0.090909      4.000000
 -0.454545 -0.181818  0.090909      4.000000
 -0.363636 -0.181818  0.090909      4.000000
 -0.272727 -0.181818  0.090909      2.000000
  0.090909 -0.090909  0.090909      4.000000
  0.181818 -0.090909  0.090909      4.000000
  0.272727 -0.090909  0.090909      4.000000
  0.363636 -0.090909  0.090909      4.000000
  0.454545 -0.090909  0.090909      4.000000
 -0.454545 -0.090909  0.090909      4.000000
 -0.363636 -0.090909  0.090909      4.000000
 -0.272727 -0.090909  0.090909      4.000000
 -0.181818 -0.090909  0.090909      2.000000
  0.181818  0.000000  0.181818      2.000000
  0.272727 -0.000000  0.181818      4.000000
  0.363636  0.000000  0.181818      4.000000
  0.454545  0.000000  0.181818      4.000000
 -0.454545 -0.000000  0.181818      4.000000
 -0.363636 -0.000000  0.181818      4.000000
 -0.272727 -0.000000  0.181818      4.000000
 -0.181818 -0.000000  0.181818      2.000000
  0.272727  0.090909  0.181818      4.000000
  0.363636  0.090909  0.181818      4.000000
  0.454545  0.090909  0.181818      4.000000
 -0.454545  0.090909  0.181818      4.000000
 -0.363636  0.090909  0.181818      4.000000
 -0.272727  0.090909  0.181818      4.000000
 -0.181818  0.090909  0.181818      4.000000
 -0.090909  0.090909  0.181818      2.000000
  0.000000  0.181818  0.181818      2.000000
  0.363636  0.181818  0.181818      4.000000
  0.454545  0.181818  0.181818      4.000000
 -0.454545  0.181818  0.181818      4.000000
 -0.363636  0.181818  0.181818      4.000000
 -0.272727  0.181818  0.181818      4.000000
 -0.181818  0.181818  0.181818      4.000000
 -0.090909  0.181818  0.181818      4.000000
 -0.000000  0.272727  0.181818      4.000000
  0.090909  0.272727  0.181818      2.000000
  0.454545  0.272727  0.181818      4.000000
 -0.454545  0.272727  0.181818      4.000000
 -0.363636  0.272727  0.181818      4.000000
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  0.101210  0.033737  0.000000      4.000000
  0.118078  0.050352 -0.016868      4.000000
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 -0.016868  0.018639  0.118078      4.000000
  0.000000  0.035255  0.101210      2.000000
 -0.084341 -0.047821  0.185551      4.000000
 -0.067473 -0.031206  0.168683      4.000000
 -0.050605 -0.014591  0.151814      4.000000
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  0.000000  0.068991  0.101210      2.000000
 -0.084341 -0.014085  0.185551      4.000000
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  0.134946 -0.135452 -0.033737      4.000000
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  0.168683 -0.102222 -0.067473      4.000000
  0.185551 -0.085606 -0.084341      2.000000
  0.118078 -0.152067 -0.016868      4.000000
  0.118078 -0.118331 -0.016868      4.000000
  0.134946 -0.101716 -0.033737      4.000000
  0.151814 -0.085100 -0.050605      4.000000
  0.168683 -0.068485 -0.067473      4.000000
  0.185551 -0.051870 -0.084341      2.000000
  0.118078 -0.084594 -0.016868      4.000000
  0.134946 -0.067979 -0.033737      4.000000
  0.151814 -0.051364 -0.050605      4.000000
  0.168683 -0.034749 -0.067473      4.000000
  0.185551 -0.018133 -0.084341      2.000000
  0.118078 -0.050858 -0.016868      4.000000
  0.134946 -0.034243 -0.033737      4.000000
  0.151814 -0.017627 -0.050605      4.000000
  0.168683 -0.001012 -0.067473      4.000000
 -0.000000 -0.167164  0.101210      2.000000
  0.118078 -0.017121 -0.016868      4.000000
  0.134946 -0.000506 -0.033737      4.000000
  0.151814  0.016109 -0.050605      4.000000
 -0.016868 -0.150043  0.118078      4.000000
  0.000000 -0.133428  0.101210      2.000000
  0.134946  0.000000  0.000000      2.000000
  0.151814  0.016615 -0.016868      4.000000
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  0.000000 -0.132922  0.134946      2.000000
  0.134946  0.033737  0.000000      4.000000
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 -0.016868 -0.115801  0.151814      4.000000
  0.000000 -0.099185  0.134946      2.000000
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 -0.033737 -0.098679  0.168683      4.000000
 -0.016868 -0.082064  0.151814      4.000000
  0.000000 -0.065449  0.134946      2.000000
 -0.050605 -0.081558  0.185551      4.000000
 -0.033737 -0.064943  0.168683      4.000000
 -0.016868 -0.048328  0.151814      4.000000
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  0.000000  0.002024  0.134946      2.000000
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 -0.033737 -0.031206  0.168683      4.000000
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  0.000000  0.035761  0.134946      2.000000
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  0.151814 -0.152067 -0.016868      4.000000
  0.168683 -0.135452 -0.033737      4.000000
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  0.151814 -0.118331 -0.016868      4.000000
  0.168683 -0.101716 -0.033737      4.000000
  0.185551 -0.085100 -0.050605      2.000000
  0.151814 -0.084594 -0.016868      4.000000
  0.168683 -0.067979 -0.033737      4.000000
  0.185551 -0.051364 -0.050605      2.000000
  0.151814 -0.050858 -0.016868      4.000000
  0.168683 -0.034243 -0.033737      4.000000
  0.185551 -0.017627 -0.050605      2.000000
  0.151814 -0.017121 -0.016868      4.000000
  0.168683 -0.000506 -0.033737      4.000000
 -0.000000 -0.166658  0.134946      2.000000
  0.168683  0.000000  0.000000      2.000000
 -0.000000 -0.166152  0.168683      2.000000
 -0.016868 -0.149031  0.185551      4.000000
  0.000000 -0.132416  0.168683      2.000000
 -0.016868 -0.115295  0.185551      4.000000
  0.000000 -0.098679  0.168683      2.000000
 -0.016868 -0.081558  0.185551      4.000000
  0.000000 -0.064943  0.168683      2.000000
 -0.016868 -0.047821  0.185551      4.000000
  0.000000 -0.031206  0.168683      2.000000
 -0.000000  0.002530  0.168683      2.000000
 -0.016868 -0.014085  0.185551      4.000000
  0.185551 -0.152067 -0.016868      2.000000
  0.185551 -0.118331 -0.016868      2.000000
  0.185551 -0.084594 -0.016868      2.000000
  0.185551 -0.050858 -0.016868      2.000000
  0.185551 -0.017121 -0.016868      2.000000
 
    WAVPRE:  cpu time    0.1530: real time    0.1582
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0590: real time    0.0589
    ORTHCH:  cpu time    0.3250: real time    0.3250
     LOOP+:  cpu time   11.3553: real time   11.3684


--------------------------------------- Iteration     11(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0080: real time    0.0099
    SETDIJ:  cpu time    0.0020: real time    0.0017
    EDDIAG:  cpu time    0.5979: real time    0.5986
  RMM-DIIS:  cpu time    0.4859: real time    0.4853
    ORTHCH:  cpu time    0.3160: real time    0.3166
       DOS:  cpu time    0.0040: real time    0.0033
    CHARGE:  cpu time    0.0540: real time    0.0546
    MIXING:  cpu time    0.0000: real time    0.0001
    --------------------------------------------
      LOOP:  cpu time    1.4678: real time    1.4701

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) :-0.1457800E-01  (-0.9408298E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596107 magnetization 

 Broyden mixing:
  rms(total) = 0.44347E-01    rms(broyden)= 0.44345E-01
  rms(prec ) = 0.17406E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.64961924
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85695808
  PAW double counting   =        75.11715637      -40.17618234
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.43450296
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83638200 eV

  energy without entropy =      -10.83638200  energy(sigma->0) =      -10.83638200


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.5939: real time    0.5947
  RMM-DIIS:  cpu time    0.4179: real time    0.4176
    ORTHCH:  cpu time    0.3160: real time    0.3164
       DOS:  cpu time    0.0040: real time    0.0034
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3928: real time    1.3926

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1104026E-01  (-0.1971541E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596089 magnetization 

 Broyden mixing:
  rms(total) = 0.22569E-01    rms(broyden)= 0.22569E-01
  rms(prec ) = 0.88502E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9893
  1.9893

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.64970876
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85708075
  PAW double counting   =        75.11860383      -40.17767057
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.44579617
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82534174 eV

  energy without entropy =      -10.82534174  energy(sigma->0) =      -10.82534174


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5949: real time    0.5942
  RMM-DIIS:  cpu time    0.4169: real time    0.4170
    ORTHCH:  cpu time    0.3160: real time    0.3162
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3908: real time    1.3910

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.3517698E-02  (-0.2986820E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595822 magnetization 

 Broyden mixing:
  rms(total) = 0.35311E-02    rms(broyden)= 0.35306E-02
  rms(prec ) = 0.12366E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3387
  2.1230  2.5544

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65802544
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85657444
  PAW double counting   =        75.12075221      -40.17989558
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45720087
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82182404 eV

  energy without entropy =      -10.82182404  energy(sigma->0) =      -10.82182404


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5949: real time    0.5948
  RMM-DIIS:  cpu time    0.4179: real time    0.4174
    ORTHCH:  cpu time    0.3170: real time    0.3172
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3928: real time    1.3931

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1834935E-04  (-0.7369757E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595864 magnetization 

 Broyden mixing:
  rms(total) = 0.76075E-03    rms(broyden)= 0.76068E-03
  rms(prec ) = 0.27448E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8311
  1.0378  1.9309  2.5246

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65702911
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85666438
  PAW double counting   =        75.11635993      -40.17535790
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45616743
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180569 eV

  energy without entropy =      -10.82180569  energy(sigma->0) =      -10.82180569


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5959: real time    0.5960
  RMM-DIIS:  cpu time    0.4179: real time    0.4171
    ORTHCH:  cpu time    0.3160: real time    0.3163
       DOS:  cpu time    0.0030: real time    0.0030
    CHARGE:  cpu time    0.0550: real time    0.0549
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3928: real time    1.3931

 eigenvalue-minimisations  : 11689
 total energy-change (2. order) : 0.2476104E-05  (-0.6466879E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595852 magnetization 

 Broyden mixing:
  rms(total) = 0.32524E-03    rms(broyden)= 0.32521E-03
  rms(prec ) = 0.81305E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2353
  3.5432  1.0050  2.5067  1.8863

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65752272
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85662514
  PAW double counting   =        75.11699388      -40.17601349
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45664592
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180321 eV

  energy without entropy =      -10.82180321  energy(sigma->0) =      -10.82180321


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.5959: real time    0.5961
  RMM-DIIS:  cpu time    0.4119: real time    0.4125
    ORTHCH:  cpu time    0.3170: real time    0.3169
       DOS:  cpu time    0.0030: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    1.3338: real time    1.3339

 eigenvalue-minimisations  : 10482
 total energy-change (2. order) :-0.7991051E-06  (-0.1160696E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595852 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65770562
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660718
  PAW double counting   =        75.11723818      -40.17626755
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45681981
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180401 eV

  energy without entropy =      -10.82180401  energy(sigma->0) =      -10.82180401


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9890       2 -82.9890
 
 
 
 E-fermi :   6.1186     XC(G=0):  -9.4993     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0570      2.00000
      2       6.0424      2.00000
      3       6.0594      2.00000
      4       6.0812      2.00000
      5       8.5217      0.00000
      6       8.6149      0.00000
      7       8.7550      0.00000
      8       9.7235      0.00000
      9      13.8045      0.00000
     10      13.8068      0.00000
     11      14.1155      0.00000
     12      17.3680      0.00000
     13      17.3941      0.00000
     14      17.4251      0.00000
     15      21.6174      0.00000
     16      29.4797      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9481      2.00000
      2       5.0380      2.00000
      3       5.8888      2.00000
      4       5.9156      2.00000
      5       8.6781      0.00000
      6       8.8703      0.00000
      7       8.9977      0.00000
      8      10.4011      0.00000
      9      13.4868      0.00000
     10      13.5084      0.00000
     11      14.5611      0.00000
     12      17.0099      0.00000
     13      18.0561      0.00000
     14      18.0775      0.00000
     15      22.3189      0.00000
     16      28.2643      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6255      2.00000
      2       3.3340      2.00000
      3       5.5538      2.00000
      4       5.5751      2.00000
      5       8.4728      0.00000
      6       9.3111      0.00000
      7       9.4619      0.00000
      8      11.9621      0.00000
      9      13.1263      0.00000
     10      13.1815      0.00000
     11      15.2973      0.00000
     12      16.8639      0.00000
     13      19.5551      0.00000
     14      19.5622      0.00000
     15      23.8307      0.00000
     16      25.8633      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.1061      2.00000
      2       1.6538      2.00000
      3       5.2372      2.00000
      4       5.2488      2.00000
      5       8.1520      0.00000
      6       9.5501      0.00000
      7       9.6919      0.00000
      8      13.3569      0.00000
      9      13.5052      0.00000
     10      13.5610      0.00000
     11      15.0995      0.00000
     12      18.4355      0.00000
     13      21.0869      0.00000
     14      21.0973      0.00000
     15      23.5654      0.00000
     16      23.7599      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4420      2.00000
      2       0.1830      2.00000
      3       5.0114      2.00000
      4       5.0140      2.00000
      5       7.9017      0.00000
      6       9.4822      0.00000
      7       9.6165      0.00000
      8      14.0423      0.00000
      9      14.4566      0.00000
     10      14.5951      0.00000
     11      15.7871      0.00000
     12      20.0095      0.00000
     13      20.2439      0.00000
     14      20.2671      0.00000
     15      22.9142      0.00000
     16      24.4710      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.8295      2.00000
      2      -0.8400      2.00000
      3       4.8938      2.00000
      4       4.8970      2.00000
      5       7.7705      0.00000
      6       9.3694      0.00000
      7       9.5026      0.00000
      8      13.8953      0.00000
      9      15.9778      0.00000
     10      16.1496      0.00000
     11      17.2454      0.00000
     12      18.0738      0.00000
     13      18.2510      0.00000
     14      19.6849      0.00000
     15      24.4654      0.00000
     16      26.7849      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2763      2.00000
      3       5.5506      2.00000
      4       5.5541      2.00000
      5       8.3043      0.00000
      6       9.3068      0.00000
      7       9.3324      0.00000
      8      10.4209      0.00000
      9      12.9258      0.00000
     10      13.9665      0.00000
     11      14.7318      0.00000
     12      17.6492      0.00000
     13      17.6533      0.00000
     14      18.0171      0.00000
     15      22.6417      0.00000
     16      27.8127      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6584      2.00000
      2       3.8670      2.00000
      3       5.1545      2.00000
      4       5.3445      2.00000
      5       8.3725      0.00000
      6       9.5517      0.00000
      7       9.9129      0.00000
      8      11.1398      0.00000
      9      12.7773      0.00000
     10      13.9414      0.00000
     11      15.5369      0.00000
     12      17.2419      0.00000
     13      18.4880      0.00000
     14      19.4107      0.00000
     15      23.9566      0.00000
     16      25.5680      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.2029      2.00000
      2       2.2159      2.00000
      3       4.8392      2.00000
      4       4.9727      2.00000
      5       8.5366      0.00000
      6       9.5263      0.00000
      7      10.2585      0.00000
      8      11.4970      0.00000
      9      13.9356      0.00000
     10      14.1706      0.00000
     11      15.7372      0.00000
     12      17.9740      0.00000
     13      19.9526      0.00000
     14      21.1825      0.00000
     15      23.1915      0.00000
     16      23.9277      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5777      2.00000
      2       0.6861      2.00000
      3       4.5930      2.00000
      4       4.6593      2.00000
      5       8.4287      0.00000
      6       9.4875      0.00000
      7      10.1808      0.00000
      8      12.3096      0.00000
      9      14.9790      0.00000
     10      15.1135      0.00000
     11      15.8617      0.00000
     12      19.5860      0.00000
     13      19.8307      0.00000
     14      21.3588      0.00000
     15      23.0456      0.00000
     16      23.6417      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.9046      2.00000
      2      -0.5211      2.00000
      3       4.2997      2.00000
      4       4.6242      2.00000
      5       8.3077      0.00000
      6       9.4108      0.00000
      7       9.9343      0.00000
      8      13.5840      0.00000
      9      14.9340      0.00000
     10      16.4472      0.00000
     11      17.3691      0.00000
     12      17.8870      0.00000
     13      18.8137      0.00000
     14      21.2760      0.00000
     15      23.7053      0.00000
     16      25.1953      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9306      2.00000
      3       4.1260      2.00000
      4       4.7316      2.00000
      5       8.2925      0.00000
      6       9.4463      0.00000
      7       9.7432      0.00000
      8      14.2557      0.00000
      9      15.4962      0.00000
     10      15.7492      0.00000
     11      17.1637      0.00000
     12      18.4581      0.00000
     13      19.0346      0.00000
     14      19.9771      0.00000
     15      25.0756      0.00000
     16      26.2233      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.1129      2.00000
      2      -0.1808      2.00000
      3       4.0933      2.00000
      4       4.9635      2.00000
      5       8.3982      0.00000
      6       9.6148      0.00000
      7       9.6764      0.00000
      8      13.8710      0.00000
      9      14.1100      0.00000
     10      15.3780      0.00000
     11      17.6150      0.00000
     12      18.1430      0.00000
     13      20.4408      0.00000
     14      20.8518      0.00000
     15      22.9748      0.00000
     16      24.3451      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1609      2.00000
      3       4.2163      2.00000
      4       5.2895      2.00000
      5       8.6102      0.00000
      6       9.5982      0.00000
      7       9.8476      0.00000
      8      12.7869      0.00000
      9      12.9452      0.00000
     10      15.5348      0.00000
     11      15.9203      0.00000
     12      18.9597      0.00000
     13      20.2905      0.00000
     14      22.1433      0.00000
     15      22.1816      0.00000
     16      23.9834      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3726      2.00000
      2       2.7380      2.00000
      3       4.5087      2.00000
      4       5.6514      2.00000
      5       8.8797      0.00000
      6       9.3365      0.00000
      7       9.7346      0.00000
      8      12.0273      0.00000
      9      12.4434      0.00000
     10      14.4211      0.00000
     11      15.8765      0.00000
     12      17.4631      0.00000
     13      19.2435      0.00000
     14      21.1288      0.00000
     15      23.4500      0.00000
     16      24.6817      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7636      2.00000
      2       4.2686      2.00000
      3       5.0413      2.00000
      4       5.9175      2.00000
      5       8.8744      0.00000
      6       9.1187      0.00000
      7       9.1625      0.00000
      8      11.2657      0.00000
      9      12.7802      0.00000
     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2275      0.00000
     13      17.9540      0.00000
     14      19.4185      0.00000
     15      23.3450      0.00000
     16      25.9153      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4700      2.00000
      2       3.7780      2.00000
      3       4.7000      2.00000
      4       4.7008      2.00000
      5       7.6466      0.00000
      6      10.2408      0.00000
      7      10.7066      0.00000
      8      10.7237      0.00000
      9      13.0382      0.00000
     10      14.4529      0.00000
     11      16.2398      0.00000
     12      18.3932      0.00000
     13      18.3957      0.00000
     14      19.0159      0.00000
     15      25.1485      0.00000
     16      25.4107      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0820      2.00000
      2       2.5886      2.00000
      3       4.2620      2.00000
      4       4.3596      2.00000
      5       7.7230      0.00000
      6       9.8362      0.00000
      7      11.0702      0.00000
      8      11.2908      0.00000
      9      14.2542      0.00000
     10      14.8076      0.00000
     11      17.0082      0.00000
     12      18.3588      0.00000
     13      19.2756      0.00000
     14      20.5489      0.00000
     15      23.1444      0.00000
     16      23.7827      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.5086      2.00000
      2       1.1825      2.00000
      3       3.7333      2.00000
      4       4.1661      2.00000
      5       7.9564      0.00000
      6      10.2170      0.00000
      7      10.9073      0.00000
      8      11.3618      0.00000
      9      15.6094      0.00000
     10      16.0202      0.00000
     11      16.7643      0.00000
     12      19.4432      0.00000
     13      19.5611      0.00000
     14      21.2943      0.00000
     15      22.1827      0.00000
     16      23.5079      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8252      2.00000
      2      -0.0796      2.00000
      3       3.2630      2.00000
      4       4.1388      2.00000
      5       7.9988      0.00000
      6      10.6697      0.00000
      7      11.0964      0.00000
      8      11.4670      0.00000
      9      16.1209      0.00000
     10      16.9424      0.00000
     11      17.7149      0.00000
     12      17.9158      0.00000
     13      18.9708      0.00000
     14      22.3167      0.00000
     15      23.8999      0.00000
     16      24.4220      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.3365      2.00000
      2      -0.8061      2.00000
      3       2.9322      2.00000
      4       4.2757      2.00000
      5       8.1095      0.00000
      6      10.5293      0.00000
      7      10.8013      0.00000
      8      13.1112      0.00000
      9      15.2359      0.00000
     10      15.6195      0.00000
     11      17.7213      0.00000
     12      18.9092      0.00000
     13      19.8313      0.00000
     14      22.1446      0.00000
     15      24.9208      0.00000
     16      25.2132      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.6139      2.00000
      2      -0.4031      2.00000
      3       2.7807      2.00000
      4       4.5596      2.00000
      5       8.3778      0.00000
      6      10.4807      0.00000
      7      10.5900      0.00000
      8      13.7636      0.00000
      9      13.9624      0.00000
     10      14.9043      0.00000
     11      17.6004      0.00000
     12      20.2356      0.00000
     13      20.8771      0.00000
     14      21.3356      0.00000
     15      22.6664      0.00000
     16      25.0128      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2879      2.00000
      2       0.7301      2.00000
      3       2.8562      2.00000
      4       4.9512      2.00000
      5       8.7647      0.00000
      6      10.3227      0.00000
      7      10.5215      0.00000
      8      12.4614      0.00000
      9      12.6109      0.00000
     10      16.3739      0.00000
     11      18.1612      0.00000
     12      18.3208      0.00000
     13      20.0842      0.00000
     14      22.1578      0.00000
     15      22.8283      0.00000
     16      23.9761      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9102      2.00000
      2       1.9677      2.00000
      3       3.3136      2.00000
      4       5.3652      2.00000
      5       9.1031      0.00000
      6       9.8488      0.00000
      7      10.1546      0.00000
      8      11.8493      0.00000
      9      12.1337      0.00000
     10      16.2370      0.00000
     11      16.8564      0.00000
     12      17.8242      0.00000
     13      19.9591      0.00000
     14      21.2740      0.00000
     15      22.7717      0.00000
     16      24.9485      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7467      2.00000
      2       2.1362      2.00000
      3       3.9640      2.00000
      4       3.9642      2.00000
      5       7.0382      0.00000
      6       8.8420      0.00000
      7      12.3020      0.00000
      8      12.3025      0.00000
      9      14.8579      0.00000
     10      15.2633      0.00000
     11      18.1410      0.00000
     12      19.4318      0.00000
     13      19.4430      0.00000
     14      20.2660      0.00000
     15      23.2152      0.00000
     16      23.2502      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2322      2.00000
      2       1.1758      2.00000
      3       3.3877      2.00000
      4       3.7345      2.00000
      5       7.1830      0.00000
      6       8.5759      0.00000
      7      12.6907      0.00000
      8      12.7873      0.00000
      9      16.0151      0.00000
     10      16.2747      0.00000
     11      18.3458      0.00000
     12      19.4602      0.00000
     13      20.0160      0.00000
     14      20.9933      0.00000
     15      22.0117      0.00000
     16      22.9709      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5702      2.00000
      2       0.1310      2.00000
      3       2.6483      2.00000
      4       3.6764      2.00000
      5       7.3734      0.00000
      6       9.3657      0.00000
      7      12.5495      0.00000
      8      12.6618      0.00000
      9      17.2139      0.00000
     10      17.3949      0.00000
     11      17.7769      0.00000
     12      18.1949      0.00000
     13      19.9451      0.00000
     14      21.8826      0.00000
     15      22.9697      0.00000
     16      24.7678      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9502      2.00000
      2      -0.6898      2.00000
      3       2.0759      2.00000
      4       3.7931      2.00000
      5       7.5115      0.00000
      6      10.8526      0.00000
      7      12.2724      0.00000
      8      12.4503      0.00000
      9      15.5518      0.00000
     10      15.7571      0.00000
     11      19.2669      0.00000
     12      19.4452      0.00000
     13      20.0914      0.00000
     14      23.8708      0.00000
     15      23.9729      0.00000
     16      24.5260      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2      -0.6318      2.00000
      3       1.7909      2.00000
      4       4.0723      2.00000
      5       7.8101      0.00000
      6      11.9045      0.00000
      7      12.0243      0.00000
      8      12.9651      0.00000
      9      13.8155      0.00000
     10      14.0036      0.00000
     11      19.3800      0.00000
     12      21.2331      0.00000
     13      21.5156      0.00000
     14      22.2279      0.00000
     15      22.9950      0.00000
     16      24.2282      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6212      2.00000
      2       0.1354      2.00000
      3       1.9458      2.00000
      4       4.4789      2.00000
      5       8.2684      0.00000
      6      11.3151      0.00000
      7      11.6589      0.00000
      8      12.6524      0.00000
      9      12.7690      0.00000
     10      14.9001      0.00000
     11      19.2491      0.00000
     12      19.9530      0.00000
     13      20.5800      0.00000
     14      22.9932      0.00000
     15      23.3669      0.00000
     16      23.8437      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.7557      2.00000
      2       0.4876      2.00000
      3       3.4480      2.00000
      4       3.4484      2.00000
      5       6.6661      0.00000
      6       7.6783      0.00000
      7      13.9960      0.00000
      8      13.9987      0.00000
      9      16.3958      0.00000
     10      16.8414      0.00000
     11      19.3763      0.00000
     12      19.3954      0.00000
     13      19.8195      0.00000
     14      21.6604      0.00000
     15      21.9130      0.00000
     16      22.9440      0.00000

 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.1328      2.00000
      2      -0.3253      2.00000
      3       2.8785      2.00000
      4       3.3445      2.00000
      5       6.8749      0.00000
      6       7.7240      0.00000
      7      14.3256      0.00000
      8      14.4652      0.00000
      9      17.5418      0.00000
     10      17.7080      0.00000
     11      17.8970      0.00000
     12      18.3320      0.00000
     13      20.9491      0.00000
     14      21.3893      0.00000
     15      22.0600      0.00000
     16      24.0660      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.4544      2.00000
      2      -1.0442      2.00000
      3       2.0781      2.00000
      4       3.4201      2.00000
      5       7.0428      0.00000
      6       8.9386      0.00000
      7      14.0428      0.00000
      8      14.3584      0.00000
      9      15.7986      0.00000
     10      15.9731      0.00000
     11      19.4111      0.00000
     12      20.0582      0.00000
     13      21.6223      0.00000
     14      21.7448      0.00000
     15      22.3808      0.00000
     16      24.2458      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -2.3529      2.00000
      2      -1.1146      2.00000
      3       1.5855      2.00000
      4       3.6675      2.00000
      5       7.3266      0.00000
      6      10.6749      0.00000
      7      13.3290      0.00000
      8      13.8723      0.00000
      9      14.2844      0.00000
     10      14.3721      0.00000
     11      21.0781      0.00000
     12      21.3118      0.00000
     13      21.7210      0.00000
     14      21.9581      0.00000
     15      22.1572      0.00000
     16      23.8144      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.5231      2.00000
      2      -1.0894      2.00000
      3       3.1846      2.00000
      4       3.1847      2.00000
      5       6.6148      0.00000
      6       6.9384      0.00000
      7      15.7358      0.00000
      8      15.7429      0.00000
      9      17.7366      0.00000
     10      17.7406      0.00000
     11      17.8574      0.00000
     12      18.6625      0.00000
     13      19.6091      0.00000
     14      19.9777      0.00000
     15      24.0152      0.00000
     16      24.9520      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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     10      16.4706      0.00000
     11      19.2932      0.00000
     12      19.4286      0.00000
     13      19.8069      0.00000
     14      20.3286      0.00000
     15      24.0788      0.00000
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 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
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     10      14.5828      0.00000
     11      16.4275      0.00000
     12      17.6593      0.00000
     13      18.8627      0.00000
     14      20.8096      0.00000
     15      23.4161      0.00000
     16      25.1047      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8122      2.00000
      2       1.6669      2.00000
      3       3.6302      2.00000
      4       4.9085      2.00000
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     10      16.1855      0.00000
     11      16.6105      0.00000
     12      18.4237      0.00000
     13      20.0296      0.00000
     14      21.5525      0.00000
     15      22.1461      0.00000
     16      24.1876      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1497      2.00000
      2       0.2983      2.00000
      3       3.3737      2.00000
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     10      16.0615      0.00000
     11      18.0087      0.00000
     12      18.1387      0.00000
     13      20.2435      0.00000
     14      21.4655      0.00000
     15      23.0133      0.00000
     16      24.2350      0.00000

 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5330      2.00000
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      3       3.2706      2.00000
      4       4.3676      2.00000
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     10      15.9256      0.00000
     11      17.2950      0.00000
     12      18.6296      0.00000
     13      19.9193      0.00000
     14      21.7339      0.00000
     15      23.9275      0.00000
     16      25.7024      0.00000

 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6154      2.00000
      2       1.7359      2.00000
      3       3.4460      2.00000
      4       4.1913      2.00000
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     10      16.2430      0.00000
     11      17.7035      0.00000
     12      18.6768      0.00000
     13      20.0476      0.00000
     14      21.4957      0.00000
     15      21.6410      0.00000
     16      23.8673      0.00000

 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9941      2.00000
      2       0.6364      2.00000
      3       2.8491      2.00000
      4       3.8876      2.00000
      5       8.1762      0.00000
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     10      16.9762      0.00000
     11      18.2252      0.00000
     12      18.7052      0.00000
     13      20.2275      0.00000
     14      20.9932      0.00000
     15      22.5651      0.00000
     16      24.5802      0.00000

 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.3176      2.00000
      2      -0.3913      2.00000
      3       2.4584      2.00000
      4       3.7393      2.00000
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     10      16.7626      0.00000
     11      17.8284      0.00000
     12      19.2052      0.00000
     13      20.2276      0.00000
     14      22.5800      0.00000
     15      24.3006      0.00000
     16      24.8313      0.00000

 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.0464      2.00000
      2      -0.7505      2.00000
      3       2.2314      2.00000
      4       3.8277      2.00000
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     10      16.0573      0.00000
     11      18.3575      0.00000
     12      19.2000      0.00000
     13      22.0961      0.00000
     14      22.5366      0.00000
     15      23.5278      0.00000
     16      24.6929      0.00000

 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5499      2.00000
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      4       4.1190      2.00000
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     10      14.9917      0.00000
     11      18.6686      0.00000
     12      20.4553      0.00000
     13      20.6638      0.00000
     14      21.2678      0.00000
     15      23.8855      0.00000
     16      24.3098      0.00000

 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
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     10      16.6902      0.00000
     11      18.2949      0.00000
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     13      19.7437      0.00000
     14      22.0923      0.00000
     15      22.4621      0.00000
     16      25.1091      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6429      2.00000
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     13      20.3589      0.00000
     14      21.0493      0.00000
     15      22.4789      0.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9590      2.00000
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     10      17.2964      0.00000
     11      18.1461      0.00000
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     13      20.9085      0.00000
     14      21.4239      0.00000
     15      23.3637      0.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4820      2.00000
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     10      16.1819      0.00000
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     13      22.1187      0.00000
     14      22.3715      0.00000
     15      23.3598      0.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8540      2.00000
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     10      14.9795      0.00000
     11      20.3474      0.00000
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     13      21.0355      0.00000
     14      22.8700      0.00000
     15      22.9677      0.00000
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 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4461      2.00000
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     10      17.5858      0.00000
     11      18.3097      0.00000
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     13      20.1204      0.00000
     14      21.6946      0.00000
     15      22.8145      0.00000
     16      24.3321      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9229      2.00000
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     10      16.5913      0.00000
     11      19.2457      0.00000
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     14      22.5473      0.00000
     15      22.9259      0.00000
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 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3221      2.00000
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     11      19.7424      0.00000
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     14      20.8942      0.00000
     15      23.0595      0.00000
     16      24.3551      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6863      2.00000
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      3       1.8737      2.00000
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     10      16.7467      0.00000
     11      18.6464      0.00000
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     15      23.2357      0.00000
     16      24.9867      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.2508      2.00000
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     10      17.3275      0.00000
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     14      22.7072      0.00000
     15      23.2439      0.00000
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 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.0420      2.00000
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     10      16.9759      0.00000
     11      19.0134      0.00000
     12      20.2512      0.00000
     13      21.8864      0.00000
     14      22.9504      0.00000
     15      24.4879      0.00000
     16      24.5708      0.00000

 k-point    57 :      -0.0000    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.9451      2.00000
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      3       5.8642      2.00000
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     10      13.4807      0.00000
     11      14.5928      0.00000
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     13      18.0700      0.00000
     14      18.0872      0.00000
     15      22.3517      0.00000
     16      28.5132      0.00000

 k-point    58 :      -0.0000    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6134      2.00000
      2       3.4122      2.00000
      3       5.5090      2.00000
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     10      13.1232      0.00000
     11      15.3038      0.00000
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     13      19.6204      0.00000
     14      19.6332      0.00000
     15      23.9188      0.00000
     16      25.9353      0.00000

 k-point    59 :       0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6495      2.00000
      2       3.9128      2.00000
      3       5.1337      2.00000
      4       5.3532      2.00000
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     10      13.9023      0.00000
     11      15.5782      0.00000
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     14      19.4798      0.00000
     15      24.0205      0.00000
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 k-point    60 :      -0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.3632      2.00000
      2       2.8088      2.00000
      3       4.4262      2.00000
      4       5.6237      2.00000
      5       8.8165      0.00000
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     10      14.3388      0.00000
     11      15.8435      0.00000
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     14      21.1708      0.00000
     15      23.4163      0.00000
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 k-point    61 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.0776      2.00000
      2       1.7139      2.00000
      3       5.1779      2.00000
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      5       8.0295      0.00000
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     10      13.5875      0.00000
     11      15.0535      0.00000
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     13      21.2392      0.00000
     14      21.2413      0.00000
     15      23.6958      0.00000
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 k-point    62 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.1785      2.00000
      2       2.2578      2.00000
      3       4.8004      2.00000
      4       4.9693      2.00000
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     10      14.1682      0.00000
     11      15.6769      0.00000
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     13      20.0865      0.00000
     14      21.3302      0.00000
     15      23.4576      0.00000
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 k-point    63 :       0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -5.0671      2.00000
      2       2.5873      2.00000
      3       4.3036      2.00000
      4       4.3426      2.00000
      5       7.6773      0.00000
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     10      14.7744      0.00000
     11      16.9748      0.00000
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     14      20.7080      0.00000
     15      23.4205      0.00000
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 k-point    64 :      -0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -4.2691      2.00000
      2       0.7647      2.00000
      3       2.7987      2.00000
      4       4.9294      2.00000
      5       8.7302      0.00000
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     10      16.2592      0.00000
     11      18.1465      0.00000
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     14      22.3164      0.00000
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 k-point    65 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2187      2.00000
      3       4.1242      2.00000
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      5       8.5164      0.00000
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     10      15.4421      0.00000
     11      15.7697      0.00000
     12      19.1366      0.00000
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     14      22.2345      0.00000
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 k-point    66 :      -0.0000    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.3872      2.00000
      2       0.2113      2.00000
      3       4.9429      2.00000
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     10      14.5697      0.00000
     11      15.7940      0.00000
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     14      20.5700      0.00000
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 k-point    67 :       0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5296      2.00000
      2       0.7061      2.00000
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     10      15.0895      0.00000
     11      15.9417      0.00000
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     14      21.5366      0.00000
     15      23.2012      0.00000
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 k-point    68 :       0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4717      2.00000
      2       1.1731      2.00000
      3       3.7574      2.00000
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     10      16.1094      0.00000
     11      16.6802      0.00000
     12      19.6843      0.00000
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     14      21.4649      0.00000
     15      22.3572      0.00000
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 k-point    69 :       0.2727    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.2111      2.00000
      2       1.1446      2.00000
      3       3.4386      2.00000
      4       3.7226      2.00000
      5       7.1580      0.00000
      6       8.5184      0.00000
      7      12.5372      0.00000
      8      12.7554      0.00000
      9      16.0200      0.00000
     10      16.4046      0.00000
     11      18.3049      0.00000
     12      19.6326      0.00000
     13      20.0522      0.00000
     14      21.0645      0.00000
     15      22.1731      0.00000
     16      23.1734      0.00000

 k-point    70 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.9454      2.00000
      2      -0.6588      2.00000
      3       1.7781      2.00000
      4       4.0592      2.00000
      5       7.7936      0.00000
      6      11.8229      0.00000
      7      11.9359      0.00000
      8      12.8732      0.00000
      9      13.9219      0.00000
     10      14.1576      0.00000
     11      19.1814      0.00000
     12      21.3928      0.00000
     13      21.7252      0.00000
     14      22.3414      0.00000
     15      22.8850      0.00000
     16      24.0517      0.00000

 k-point    71 :      -0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -3.5594      2.00000
      2      -0.4030      2.00000
      3       2.7254      2.00000
      4       4.5257      2.00000
      5       8.3304      0.00000
      6      10.3583      0.00000
      7      10.5496      0.00000
      8      13.8672      0.00000
      9      14.0741      0.00000
     10      14.8040      0.00000
     11      17.5246      0.00000
     12      20.0429      0.00000
     13      21.0583      0.00000
     14      21.5809      0.00000
     15      22.8504      0.00000
     16      25.2211      0.00000

 k-point    72 :      -0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.0558      2.00000
      2      -0.1596      2.00000
      3       4.0093      2.00000
      4       4.9043      2.00000
      5       8.2897      0.00000
      6       9.5283      0.00000
      7       9.6780      0.00000
      8      13.9139      0.00000
      9      14.1765      0.00000
     10      15.3239      0.00000
     11      17.4219      0.00000
     12      18.1378      0.00000
     13      20.6534      0.00000
     14      21.1450      0.00000
     15      23.1200      0.00000
     16      24.5641      0.00000

 k-point    73 :      -0.0000    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.7372      2.00000
      2      -0.8530      2.00000
      3       4.8194      2.00000
      4       4.8258      2.00000
      5       7.6279      0.00000
      6       9.3200      0.00000
      7       9.4529      0.00000
      8      13.8010      0.00000
      9      16.0122      0.00000
     10      16.1557      0.00000
     11      17.2514      0.00000
     12      18.1628      0.00000
     13      18.3444      0.00000
     14      19.8531      0.00000
     15      24.7498      0.00000
     16      26.9222      0.00000

 k-point    74 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8224      2.00000
      2      -0.5343      2.00000
      3       4.2522      2.00000
      4       4.5639      2.00000
      5       8.1981      0.00000
      6       9.2689      0.00000
      7       9.9352      0.00000
      8      13.4377      0.00000
      9      14.8427      0.00000
     10      16.5189      0.00000
     11      17.4909      0.00000
     12      18.0899      0.00000
     13      19.0288      0.00000
     14      21.2358      0.00000
     15      23.9077      0.00000
     16      25.3704      0.00000

 k-point    75 :       0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.7572      2.00000
      2      -0.1099      2.00000
      3       3.2559      2.00000
      4       4.1018      2.00000
      5       7.9532      0.00000
      6      10.5010      0.00000
      7      11.0665      0.00000
      8      11.3326      0.00000
      9      16.0385      0.00000
     10      16.9899      0.00000
     11      17.8796      0.00000
     12      18.0814      0.00000
     13      19.1704      0.00000
     14      22.5259      0.00000
     15      24.0730      0.00000
     16      24.2568      0.00000

 k-point    76 :       0.2727    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5205      2.00000
      2       0.0753      2.00000
      3       2.6866      2.00000
      4       3.6582      2.00000
      5       7.3539      0.00000
      6       9.2914      0.00000
      7      12.3689      0.00000
      8      12.5833      0.00000
      9      17.2874      0.00000
     10      17.4322      0.00000
     11      17.9944      0.00000
     12      18.3398      0.00000
     13      19.9020      0.00000
     14      21.9688      0.00000
     15      23.0118      0.00000
     16      24.6269      0.00000

 k-point    77 :       0.3636    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.1055      2.00000
      2      -0.3624      2.00000
      3       2.9098      2.00000
      4       3.3386      2.00000
      5       6.8701      0.00000
      6       7.6863      0.00000
      7      14.2241      0.00000
      8      14.3273      0.00000
      9      17.6003      0.00000
     10      17.8985      0.00000
     11      18.0728      0.00000
     12      18.4550      0.00000
     13      20.8195      0.00000
     14      21.2361      0.00000
     15      21.8644      0.00000
     16      24.1057      0.00000

 k-point    78 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.3957      2.00000
      2      -1.1106      2.00000
      3       2.0968      2.00000
      4       3.4140      2.00000
      5       7.0370      0.00000
      6       8.9126      0.00000
      7      13.9372      0.00000
      8      14.1627      0.00000
      9      15.9579      0.00000
     10      16.1607      0.00000
     11      19.5267      0.00000
     12      20.2015      0.00000
     13      21.3769      0.00000
     14      21.5343      0.00000
     15      22.3016      0.00000
     16      24.5594      0.00000

 k-point    79 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.8703      2.00000
      2      -0.7632      2.00000
      3       2.0847      2.00000
      4       3.7744      2.00000
      5       7.4892      0.00000
      6      10.8026      0.00000
      7      12.1663      0.00000
      8      12.2824      0.00000
      9      15.7074      0.00000
     10      15.9161      0.00000
     11      19.2302      0.00000
     12      19.4104      0.00000
     13      20.2503      0.00000
     14      23.8185      0.00000
     15      24.0080      0.00000
     16      24.4487      0.00000

 k-point    80 :      -0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.2435      2.00000
      2      -0.8525      2.00000
      3       2.8970      2.00000
      4       4.2372      2.00000
      5       8.0588      0.00000
      6      10.3716      0.00000
      7      10.7627      0.00000
      8      13.0018      0.00000
      9      15.2883      0.00000
     10      15.7578      0.00000
     11      17.7176      0.00000
     12      19.0341      0.00000
     13      19.9828      0.00000
     14      21.9942      0.00000
     15      25.2111      0.00000
     16      25.4542      0.00000

 k-point    81 :      -0.0909    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9551      2.00000
      3       4.0580      2.00000
      4       4.6688      2.00000
      5       8.1789      0.00000
      6       9.3248      0.00000
      7       9.7421      0.00000
      8      14.1503      0.00000
      9      15.4627      0.00000
     10      15.8627      0.00000
     11      17.2675      0.00000
     12      18.5969      0.00000
     13      18.9446      0.00000
     14      20.1103      0.00000
     15      25.3596      0.00000
     16      26.5459      0.00000

 k-point    82 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2745      2.00000
      3       5.5106      2.00000
      4       5.5945      2.00000
      5       8.3048      0.00000
      6       9.2379      0.00000
      7       9.4175      0.00000
      8      10.4058      0.00000
      9      12.9240      0.00000
     10      13.9673      0.00000
     11      14.7338      0.00000
     12      17.6199      0.00000
     13      17.6828      0.00000
     14      18.0163      0.00000
     15      22.6410      0.00000
     16      27.8847      0.00000

 k-point    83 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6556      2.00000
      2       3.8466      2.00000
      3       5.1976      2.00000
      4       5.3591      2.00000
      5       8.3487      0.00000
      6       9.3772      0.00000
      7      10.0051      0.00000
      8      11.1446      0.00000
      9      12.7995      0.00000
     10      13.9451      0.00000
     11      15.5459      0.00000
     12      17.2360      0.00000
     13      18.5284      0.00000
     14      19.4144      0.00000
     15      23.9780      0.00000
     16      25.7454      0.00000

 k-point    84 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1974      2.00000
      2       2.1916      2.00000
      3       4.8753      2.00000
      4       5.0099      2.00000
      5       8.5523      0.00000
      6       9.3243      0.00000
      7      10.3388      0.00000
      8      11.3919      0.00000
      9      14.0534      0.00000
     10      14.1778      0.00000
     11      15.7179      0.00000
     12      18.0177      0.00000
     13      19.9860      0.00000
     14      21.2030      0.00000
     15      23.3899      0.00000
     16      24.0537      0.00000

 k-point    85 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5704      2.00000
      2       0.6642      2.00000
      3       4.6273      2.00000
      4       4.6845      2.00000
      5       8.4495      0.00000
      6       9.3409      0.00000
      7      10.2521      0.00000
      8      12.1163      0.00000
      9      15.0409      0.00000
     10      15.1327      0.00000
     11      15.9622      0.00000
     12      19.7128      0.00000
     13      19.9215      0.00000
     14      21.3750      0.00000
     15      23.1047      0.00000
     16      23.5340      0.00000

 k-point    86 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.8986      2.00000
      2      -0.5360      2.00000
      3       4.3168      2.00000
      4       4.6405      2.00000
      5       8.3306      0.00000
      6       9.3021      0.00000
      7      10.0088      0.00000
      8      13.3668      0.00000
      9      14.9012      0.00000
     10      16.5685      0.00000
     11      17.5424      0.00000
     12      18.0142      0.00000
     13      18.9186      0.00000
     14      20.9799      0.00000
     15      23.6999      0.00000
     16      25.2088      0.00000

 k-point    87 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.6352      2.00000
      2      -0.9290      2.00000
      3       4.1210      2.00000
      4       4.7397      2.00000
      5       8.3217      0.00000
      6       9.3611      0.00000
      7       9.8259      0.00000
      8      14.2025      0.00000
      9      15.4069      0.00000
     10      15.8540      0.00000
     11      17.2184      0.00000
     12      18.6132      0.00000
     13      18.8545      0.00000
     14      19.9429      0.00000
     15      25.0847      0.00000
     16      26.2533      0.00000

 k-point    88 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.1242      2.00000
      2      -0.1661      2.00000
      3       4.0647      2.00000
      4       4.9663      2.00000
      5       8.4365      0.00000
      6       9.5571      0.00000
      7       9.7574      0.00000
      8      14.0155      0.00000
      9      14.1887      0.00000
     10      15.3509      0.00000
     11      17.3164      0.00000
     12      17.9334      0.00000
     13      20.6277      0.00000
     14      20.8959      0.00000
     15      23.0065      0.00000
     16      24.3863      0.00000

 k-point    89 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.8071      2.00000
      2       1.1809      2.00000
      3       4.1657      2.00000
      4       5.2913      2.00000
      5       8.6600      0.00000
      6       9.7092      0.00000
      7       9.7853      0.00000
      8      12.9700      0.00000
      9      12.9923      0.00000
     10      15.4894      0.00000
     11      15.6890      0.00000
     12      18.8739      0.00000
     13      20.1918      0.00000
     14      22.0834      0.00000
     15      22.1784      0.00000
     16      24.1326      0.00000

 k-point    90 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3812      2.00000
      2       2.7580      2.00000
      3       4.4429      2.00000
      4       5.6575      2.00000
      5       8.9488      0.00000
      6       9.4477      0.00000
      7       9.7098      0.00000
      8      12.0734      0.00000
      9      12.5154      0.00000
     10      14.2869      0.00000
     11      15.8398      0.00000
     12      17.4240      0.00000
     13      19.2416      0.00000
     14      21.0678      0.00000
     15      23.1344      0.00000
     16      24.6869      0.00000

 k-point    91 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7695      2.00000
      2       4.2548      2.00000
      3       5.0017      2.00000
      4       5.9346      2.00000
      5       9.0514      0.00000
      6       9.0960      0.00000
      7       9.1982      0.00000
      8      11.1752      0.00000
      9      12.8366      0.00000
     10      13.6739      0.00000
     11      15.1867      0.00000
     12      17.2188      0.00000
     13      17.9248      0.00000
     14      19.3790      0.00000
     15      23.2943      0.00000
     16      25.5816      0.00000

 k-point    92 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2771      2.00000
      3       5.5504      2.00000
      4       5.5534      2.00000
      5       8.3038      0.00000
      6       9.3067      0.00000
      7       9.3330      0.00000
      8      10.4209      0.00000
      9      12.9278      0.00000
     10      13.9650      0.00000
     11      14.7320      0.00000
     12      17.6493      0.00000
     13      17.6502      0.00000
     14      18.0186      0.00000
     15      22.6432      0.00000
     16      27.8762      0.00000

 k-point    93 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7637      2.00000
      2       4.2685      2.00000
      3       5.0420      2.00000
      4       5.9169      2.00000
      5       8.8744      0.00000
      6       9.1193      0.00000
      7       9.1620      0.00000
      8      11.2658      0.00000
      9      12.7791      0.00000
     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2280      0.00000
     13      17.9568      0.00000
     14      19.4165      0.00000
     15      23.3440      0.00000
     16      25.9120      0.00000

 k-point    94 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3727      2.00000
      2       2.7381      2.00000
      3       4.5093      2.00000
      4       5.6507      2.00000
      5       8.8797      0.00000
      6       9.3364      0.00000
      7       9.7350      0.00000
      8      12.0278      0.00000
      9      12.4427      0.00000
     10      14.4201      0.00000
     11      15.8773      0.00000
     12      17.4638      0.00000
     13      19.2456      0.00000
     14      21.1268      0.00000
     15      23.4475      0.00000
     16      24.6802      0.00000

 k-point    95 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7963      2.00000
      2       1.1611      2.00000
      3       4.2170      2.00000
      4       5.2888      2.00000
      5       8.6099      0.00000
      6       9.5978      0.00000
      7       9.8481      0.00000
      8      12.7868      0.00000
      9      12.9457      0.00000
     10      15.5359      0.00000
     11      15.9189      0.00000
     12      18.9600      0.00000
     13      20.2898      0.00000
     14      22.1432      0.00000
     15      22.1825      0.00000
     16      23.9703      0.00000

 k-point    96 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1130      2.00000
      2      -0.1806      2.00000
      3       4.0941      2.00000
      4       4.9627      2.00000
      5       8.3977      0.00000
      6       9.6154      0.00000
      7       9.6761      0.00000
      8      13.8709      0.00000
      9      14.1106      0.00000
     10      15.3788      0.00000
     11      17.6133      0.00000
     12      18.1414      0.00000
     13      20.4414      0.00000
     14      20.8533      0.00000
     15      22.9762      0.00000
     16      24.3467      0.00000

 k-point    97 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9305      2.00000
      3       4.1269      2.00000
      4       4.7308      2.00000
      5       8.2918      0.00000
      6       9.4474      0.00000
      7       9.7425      0.00000
      8      14.2558      0.00000
      9      15.4950      0.00000
     10      15.7499      0.00000
     11      17.1642      0.00000
     12      18.4589      0.00000
     13      19.0345      0.00000
     14      19.9767      0.00000
     15      25.0770      0.00000
     16      26.2235      0.00000

 k-point    98 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.9045      2.00000
      2      -0.5211      2.00000
      3       4.3005      2.00000
      4       4.6235      2.00000
      5       8.3070      0.00000
      6       9.4120      0.00000
      7       9.9336      0.00000
      8      13.5830      0.00000
      9      14.9336      0.00000
     10      16.4479      0.00000
     11      17.3702      0.00000
     12      17.8878      0.00000
     13      18.8146      0.00000
     14      21.2741      0.00000
     15      23.7051      0.00000
     16      25.1929      0.00000

 k-point    99 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.5776      2.00000
      2       0.6860      2.00000
      3       4.5938      2.00000
      4       4.6586      2.00000
      5       8.4280      0.00000
      6       9.4887      0.00000
      7      10.1802      0.00000
      8      12.3088      0.00000
      9      14.9792      0.00000
     10      15.1134      0.00000
     11      15.8627      0.00000
     12      19.5860      0.00000
     13      19.8313      0.00000
     14      21.3592      0.00000
     15      23.0442      0.00000
     16      23.6413      0.00000

 k-point   100 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.2028      2.00000
      2       2.2158      2.00000
      3       4.8386      2.00000
      4       4.9732      2.00000
      5       8.5359      0.00000
      6       9.5269      0.00000
      7      10.2582      0.00000
      8      11.4970      0.00000
      9      13.9361      0.00000
     10      14.1706      0.00000
     11      15.7369      0.00000
     12      17.9740      0.00000
     13      19.9512      0.00000
     14      21.1830      0.00000
     15      23.1919      0.00000
     16      23.9294      0.00000

 k-point   101 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6583      2.00000
      2       3.8671      2.00000
      3       5.1541      2.00000
      4       5.3448      2.00000
      5       8.3718      0.00000
      6       9.5520      0.00000
      7       9.9129      0.00000
      8      11.1399      0.00000
      9      12.7789      0.00000
     10      13.9402      0.00000
     11      15.5371      0.00000
     12      17.2412      0.00000
     13      18.4865      0.00000
     14      19.4111      0.00000
     15      23.9587      0.00000
     16      25.5388      0.00000

 k-point   102 :       0.0000    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.6494      2.00000
      2       3.9129      2.00000
      3       5.1332      2.00000
      4       5.3534      2.00000
      5       8.3253      0.00000
      6       9.3395      0.00000
      7       9.9438      0.00000
      8      11.1935      0.00000
      9      12.8065      0.00000
     10      13.9011      0.00000
     11      15.5784      0.00000
     12      17.2534      0.00000
     13      18.5478      0.00000
     14      19.4801      0.00000
     15      24.0226      0.00000
     16      25.8953      0.00000

 k-point   103 :       0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.7577      2.00000
      2       4.2881      2.00000
      3       5.0746      2.00000
      4       5.9032      2.00000
      5       8.8280      0.00000
      6       8.9890      0.00000
      7       9.1429      0.00000
      8      11.3576      0.00000
      9      12.7255      0.00000
     10      13.6888      0.00000
     11      15.2817      0.00000
     12      17.2361      0.00000
     13      17.9813      0.00000
     14      19.4599      0.00000
     15      23.3967      0.00000
     16      26.2433      0.00000

 k-point   104 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5329      2.00000
      2      -0.6942      2.00000
      3       3.2705      2.00000
      4       4.3678      2.00000
      5       8.7889      0.00000
      6       9.2279      0.00000
      7      10.9053      0.00000
      8      13.4084      0.00000
      9      14.9828      0.00000
     10      15.9263      0.00000
     11      17.2948      0.00000
     12      18.6293      0.00000
     13      19.9213      0.00000
     14      21.7318      0.00000
     15      23.9255      0.00000
     16      25.7021      0.00000

 k-point   105 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1495      2.00000
      2       0.2981      2.00000
      3       3.3732      2.00000
      4       4.5724      2.00000
      5       8.7762      0.00000
      6       9.4826      0.00000
      7      10.9732      0.00000
      8      11.8962      0.00000
      9      14.6739      0.00000
     10      16.0612      0.00000
     11      18.0104      0.00000
     12      18.1395      0.00000
     13      20.2430      0.00000
     14      21.4646      0.00000
     15      23.0118      0.00000
     16      24.2334      0.00000

 k-point   106 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8121      2.00000
      2       1.6668      2.00000
      3       3.6297      2.00000
      4       4.9092      2.00000
      5       8.7135      0.00000
      6       9.7626      0.00000
      7      10.8675      0.00000
      8      10.9721      0.00000
      9      13.6282      0.00000
     10      16.1869      0.00000
     11      16.6097      0.00000
     12      18.4226      0.00000
     13      20.0299      0.00000
     14      21.5529      0.00000
     15      22.1463      0.00000
     16      24.1880      0.00000

 k-point   107 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3288      2.00000
      2       3.0305      2.00000
      3       4.1784      2.00000
      4       5.2286      2.00000
      5       8.4036      0.00000
      6       9.7809      0.00000
      7      10.5026      0.00000
      8      10.8643      0.00000
      9      13.2077      0.00000
     10      14.5834      0.00000
     11      16.4275      0.00000
     12      17.6580      0.00000
     13      18.8610      0.00000
     14      20.8106      0.00000
     15      23.4184      0.00000
     16      25.1047      0.00000

 k-point   108 :      -0.0000    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.1784      2.00000
      2       2.2578      2.00000
      3       4.7997      2.00000
      4       4.9699      2.00000
      5       8.4819      0.00000
      6       9.3084      0.00000
      7      10.2955      0.00000
      8      11.4015      0.00000
      9      13.9942      0.00000
     10      14.1680      0.00000
     11      15.6766      0.00000
     12      18.1810      0.00000
     13      20.0852      0.00000
     14      21.3307      0.00000
     15      23.4590      0.00000
     16      24.1393      0.00000

 k-point   109 :       0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3544      2.00000
      2       2.7889      2.00000
      3       4.4914      2.00000
      4       5.6202      2.00000
      5       8.7742      0.00000
      6       9.2447      0.00000
      7       9.7206      0.00000
      8      12.0210      0.00000
      9      12.3577      0.00000
     10      14.4842      0.00000
     11      15.8760      0.00000
     12      17.5770      0.00000
     13      19.3502      0.00000
     14      21.2350      0.00000
     15      23.7341      0.00000
     16      24.7695      0.00000

 k-point   110 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3170      2.00000
      2       3.0308      2.00000
      3       4.2137      2.00000
      4       5.2203      2.00000
      5       8.3486      0.00000
      6       9.6823      0.00000
      7      10.4480      0.00000
      8      10.8524      0.00000
      9      13.1749      0.00000
     10      14.6640      0.00000
     11      16.4769      0.00000
     12      17.6505      0.00000
     13      18.9288      0.00000
     14      20.9099      0.00000
     15      23.7152      0.00000
     16      25.1208      0.00000

 k-point   111 :      -0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7961      2.00000
      2       1.6950      2.00000
      3       3.5934      2.00000
      4       4.8912      2.00000
      5       8.7504      0.00000
      6       9.6426      0.00000
      7      10.7381      0.00000
      8      11.0094      0.00000
      9      13.7765      0.00000
     10      16.0893      0.00000
     11      16.4724      0.00000
     12      18.5871      0.00000
     13      20.1557      0.00000
     14      21.5737      0.00000
     15      22.3275      0.00000
     16      24.5159      0.00000

 k-point   112 :       0.0000    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.5295      2.00000
      2       0.7061      2.00000
      3       4.5685      2.00000
      4       4.6064      2.00000
      5       8.3354      0.00000
      6       9.3243      0.00000
      7      10.1967      0.00000
      8      12.1629      0.00000
      9      14.9475      0.00000
     10      15.0900      0.00000
     11      15.9424      0.00000
     12      19.9012      0.00000
     13      20.0878      0.00000
     14      21.5367      0.00000
     15      23.1999      0.00000
     16      23.6535      0.00000

 k-point   113 :       0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7581      2.00000
      2       1.1981      2.00000
      3       4.1748      2.00000
      4       5.2416      2.00000
      5       8.4765      0.00000
      6       9.5213      0.00000
      7       9.8362      0.00000
      8      12.7951      0.00000
      9      12.7991      0.00000
     10      15.4827      0.00000
     11      16.0084      0.00000
     12      19.2157      0.00000
     13      20.5156      0.00000
     14      22.3008      0.00000
     15      22.3415      0.00000
     16      24.0049      0.00000

 k-point   114 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7817      2.00000
      2       1.6762      2.00000
      3       3.6311      2.00000
      4       4.8893      2.00000
      5       8.6722      0.00000
      6       9.6269      0.00000
      7      10.7503      0.00000
      8      10.9295      0.00000
      9      13.6015      0.00000
     10      16.3016      0.00000
     11      16.5583      0.00000
     12      18.5880      0.00000
     13      20.2365      0.00000
     14      21.7582      0.00000
     15      22.3335      0.00000
     16      24.3453      0.00000

 k-point   115 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.5975      2.00000
      2       1.7144      2.00000
      3       3.4711      2.00000
      4       4.2014      2.00000
      5       7.7848      0.00000
      6       9.3055      0.00000
      7      11.0542      0.00000
      8      12.1383      0.00000
      9      14.6101      0.00000
     10      16.3924      0.00000
     11      17.7701      0.00000
     12      18.6313      0.00000
     13      20.1731      0.00000
     14      21.6317      0.00000
     15      21.8075      0.00000
     16      23.9235      0.00000

 k-point   116 :      -0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5217      2.00000
      2      -0.0669      2.00000
      3       2.2185      2.00000
      4       4.0856      2.00000
      5       8.9155      0.00000
      6       9.9244      0.00000
      7      11.6296      0.00000
      8      12.2453      0.00000
      9      14.7583      0.00000
     10      14.9678      0.00000
     11      18.5020      0.00000
     12      20.3774      0.00000
     13      21.0447      0.00000
     14      21.4632      0.00000
     15      23.7912      0.00000
     16      24.0768      0.00000

 k-point   117 :      -0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1077      2.00000
      2       0.3065      2.00000
      3       3.3449      2.00000
      4       4.5174      2.00000
      5       8.8028      0.00000
      6       9.3855      0.00000
      7      10.8650      0.00000
      8      11.7971      0.00000
      9      14.9153      0.00000
     10      15.9243      0.00000
     11      17.8348      0.00000
     12      18.1671      0.00000
     13      20.7322      0.00000
     14      21.6466      0.00000
     15      23.1959      0.00000
     16      24.1355      0.00000

 k-point   118 :      -0.0000    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.8223      2.00000
      2      -0.5344      2.00000
      3       4.2530      2.00000
      4       4.5631      2.00000
      5       8.1974      0.00000
      6       9.2701      0.00000
      7       9.9346      0.00000
      8      13.4367      0.00000
      9      14.8424      0.00000
     10      16.5200      0.00000
     11      17.4921      0.00000
     12      18.0906      0.00000
     13      19.0291      0.00000
     14      21.2339      0.00000
     15      23.9075      0.00000
     16      25.3692      0.00000

 k-point   119 :       0.0909    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0441      2.00000
      2      -0.1750      2.00000
      3       4.0373      2.00000
      4       4.9029      2.00000
      5       8.2585      0.00000
      6       9.5740      0.00000
      7       9.6023      0.00000
      8      13.8414      0.00000
      9      14.0356      0.00000
     10      15.3356      0.00000
     11      17.7198      0.00000
     12      18.3521      0.00000
     13      20.5757      0.00000
     14      20.9866      0.00000
     15      23.0918      0.00000
     16      24.5246      0.00000

 k-point   120 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0917      2.00000
      2       0.2908      2.00000
      3       3.3552      2.00000
      4       4.5287      2.00000
      5       8.7198      0.00000
      6       9.3841      0.00000
      7      10.8665      0.00000
      8      11.7701      0.00000
      9      14.6896      0.00000
     10      16.0344      0.00000
     11      18.1233      0.00000
     12      18.3317      0.00000
     13      20.5279      0.00000
     14      21.6162      0.00000
     15      23.1849      0.00000
     16      24.1441      0.00000

 k-point   121 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9509      2.00000
      2       0.5993      2.00000
      3       2.8730      2.00000
      4       3.8730      2.00000
      5       8.1489      0.00000
      6       9.7256      0.00000
      7      10.7175      0.00000
      8      12.5295      0.00000
      9      15.4292      0.00000
     10      17.0758      0.00000
     11      18.3798      0.00000
     12      18.7457      0.00000
     13      20.4421      0.00000
     14      21.0557      0.00000
     15      22.7559      0.00000
     16      24.5045      0.00000

 k-point   122 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6189      2.00000
      2       0.3144      2.00000
      3       2.9705      2.00000
      4       3.3838      2.00000
      5       7.4327      0.00000
      6       8.2615      0.00000
      7      12.4174      0.00000
      8      13.9338      0.00000
      9      16.2657      0.00000
     10      17.6861      0.00000
     11      18.3426      0.00000
     12      19.4476      0.00000
     13      20.3988      0.00000
     14      20.9620      0.00000
     15      22.5218      0.00000
     16      23.0460      0.00000

 k-point   123 :      -0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4309      2.00000
      2      -1.0370      2.00000
      3       1.7705      2.00000
      4       3.2843      2.00000
      5       8.0209      0.00000
      6      10.7242      0.00000
      7      11.8702      0.00000
      8      13.4603      0.00000
      9      14.1427      0.00000
     10      16.4955      0.00000
     11      19.5574      0.00000
     12      20.3657      0.00000
     13      21.7585      0.00000
     14      22.3632      0.00000
     15      23.6687      0.00000
     16      24.6267      0.00000

 k-point   124 :      -0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9761      2.00000
      2      -0.8035      2.00000
      3       2.2477      2.00000
      4       3.7656      2.00000
      5       8.5407      0.00000
      6      10.1091      0.00000
      7      12.3033      0.00000
      8      12.8728      0.00000
      9      13.4038      0.00000
     10      16.3464      0.00000
     11      18.3715      0.00000
     12      19.4715      0.00000
     13      21.9331      0.00000
     14      22.3180      0.00000
     15      23.6939      0.00000
     16      24.5945      0.00000

 k-point   125 :      -0.0909   -0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.4533      2.00000
      2      -0.7241      2.00000
      3       3.2571      2.00000
      4       4.2840      2.00000
      5       8.7925      0.00000
      6       9.1501      0.00000
      7      10.7814      0.00000
      8      13.2965      0.00000
      9      14.8482      0.00000
     10      16.0728      0.00000
     11      17.4937      0.00000
     12      18.9802      0.00000
     13      19.7682      0.00000
     14      21.6198      0.00000
     15      24.1654      0.00000
     16      25.9742      0.00000

 k-point   126 :      -0.0000   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9551      2.00000
      3       4.0589      2.00000
      4       4.6679      2.00000
      5       8.1782      0.00000
      6       9.3258      0.00000
      7       9.7416      0.00000
      8      14.1504      0.00000
      9      15.4618      0.00000
     10      15.8631      0.00000
     11      17.2679      0.00000
     12      18.5984      0.00000
     13      18.9435      0.00000
     14      20.1102      0.00000
     15      25.3612      0.00000
     16      26.5464      0.00000

 k-point   127 :       0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5298      2.00000
      2      -0.9569      2.00000
      3       4.0616      2.00000
      4       4.6619      2.00000
      5       8.1560      0.00000
      6       9.4102      0.00000
      7       9.6538      0.00000
      8      14.1934      0.00000
      9      15.5915      0.00000
     10      15.7290      0.00000
     11      17.2131      0.00000
     12      18.5184      0.00000
     13      19.0344      0.00000
     14      20.1577      0.00000
     15      25.3462      0.00000
     16      26.5170      0.00000

 k-point   128 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.4408      2.00000
      2      -0.7297      2.00000
      3       3.2376      2.00000
      4       4.3062      2.00000
      5       8.7117      0.00000
      6       9.1542      0.00000
      7      10.7950      0.00000
      8      13.2859      0.00000
      9      15.0518      0.00000
     10      15.9691      0.00000
     11      17.3833      0.00000
     12      18.7911      0.00000
     13      20.0623      0.00000
     14      21.6366      0.00000
     15      24.1164      0.00000
     16      25.9587      0.00000

 k-point   129 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.2413      2.00000
      2      -0.4483      2.00000
      3       2.4639      2.00000
      4       3.7058      2.00000
      5       8.2853      0.00000
      6      10.2771      0.00000
      7      11.1561      0.00000
      8      12.4934      0.00000
      9      15.4234      0.00000
     10      16.7825      0.00000
     11      17.9263      0.00000
     12      19.2296      0.00000
     13      20.3814      0.00000
     14      22.7394      0.00000
     15      24.1356      0.00000
     16      24.9204      0.00000

 k-point   130 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9037      2.00000
      2      -0.5386      2.00000
      3       2.3012      2.00000
      4       3.1903      2.00000
      5       7.7789      0.00000
      6       9.1151      0.00000
      7      12.0340      0.00000
      8      14.3189      0.00000
      9      15.6984      0.00000
     10      17.3475      0.00000
     11      18.3038      0.00000
     12      20.3706      0.00000
     13      20.7328      0.00000
     14      21.4136      0.00000
     15      23.2748      0.00000
     16      23.9443      0.00000

 k-point   131 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4162      2.00000
      2      -1.1183      2.00000
      3       2.7590      2.00000
      4       2.9060      2.00000
      5       7.3748      0.00000
      6       7.6243      0.00000
      7      13.9310      0.00000
      8      15.6940      0.00000
      9      16.1146      0.00000
     10      17.5836      0.00000
     11      18.2962      0.00000
     12      19.8531      0.00000
     13      20.3033      0.00000
     14      21.5159      0.00000
     15      22.6994      0.00000
     16      24.2549      0.00000

 k-point   132 :      -0.2727    0.5455    0.0909
  band No.  band energies     occupation 
      1      -2.9289      2.00000
      2      -0.5116      2.00000
      3       2.3207      2.00000
      4       3.1556      2.00000
      5       7.8093      0.00000
      6       9.1237      0.00000
      7      12.1630      0.00000
      8      14.2305      0.00000
      9      15.4889      0.00000
     10      17.5522      0.00000
     11      18.4780      0.00000
     12      20.1116      0.00000
     13      20.6202      0.00000
     14      21.4062      0.00000
     15      23.3591      0.00000
     16      24.0430      0.00000

 k-point   133 :      -0.1818    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.2608      2.00000
      2      -0.4354      2.00000
      3       2.4937      2.00000
      4       3.6673      2.00000
      5       8.3284      0.00000
      6      10.3582      0.00000
      7      11.1770      0.00000
      8      12.4305      0.00000
      9      15.1882      0.00000
     10      16.9902      0.00000
     11      18.0630      0.00000
     12      19.3123      0.00000
     13      20.0697      0.00000
     14      22.7883      0.00000
     15      24.0081      0.00000
     16      24.9127      0.00000

 k-point   134 :      -0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.4534      2.00000
      2      -0.7240      2.00000
      3       3.2573      2.00000
      4       4.2838      2.00000
      5       8.7929      0.00000
      6       9.1496      0.00000
      7      10.7816      0.00000
      8      13.2978      0.00000
      9      14.8473      0.00000
     10      16.0721      0.00000
     11      17.4937      0.00000
     12      18.9802      0.00000
     13      19.7666      0.00000
     14      21.6219      0.00000
     15      24.1673      0.00000
     16      25.9745      0.00000

 k-point   135 :      -0.0000   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.0559      2.00000
      2      -0.1595      2.00000
      3       4.0101      2.00000
      4       4.9035      2.00000
      5       8.2891      0.00000
      6       9.5290      0.00000
      7       9.6777      0.00000
      8      13.9145      0.00000
      9      14.1765      0.00000
     10      15.3245      0.00000
     11      17.4203      0.00000
     12      18.1363      0.00000
     13      20.6552      0.00000
     14      21.1455      0.00000
     15      23.1214      0.00000
     16      24.5657      0.00000

 k-point   136 :       0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.8290      2.00000
      2      -0.5187      2.00000
      3       4.2327      2.00000
      4       4.5489      2.00000
      5       8.1812      0.00000
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     10      16.4333      0.00000
     11      17.3204      0.00000
     12      17.9498      0.00000
     13      18.8982      0.00000
     14      21.5364      0.00000
     15      23.9077      0.00000
     16      25.3647      0.00000

 k-point   137 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.4539      2.00000
      2      -0.7103      2.00000
      3       3.2208      2.00000
      4       4.3026      2.00000
      5       8.7048      0.00000
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     10      15.9632      0.00000
     11      17.3609      0.00000
     12      18.7312      0.00000
     13      19.7771      0.00000
     14      21.9535      0.00000
     15      24.1515      0.00000
     16      25.9461      0.00000

 k-point   138 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9695      2.00000
      2      -0.7972      2.00000
      3       2.2136      2.00000
      4       3.7928      2.00000
      5       8.5165      0.00000
      6      10.0006      0.00000
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      9      13.5901      0.00000
     10      16.1750      0.00000
     11      18.3025      0.00000
     12      19.2688      0.00000
     13      22.2814      0.00000
     14      22.3461      0.00000
     15      23.7537      0.00000
     16      24.6389      0.00000

 k-point   139 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4173      2.00000
      2      -1.0462      2.00000
      3       1.7540      2.00000
      4       3.3015      2.00000
      5       8.0066      0.00000
      6      10.7161      0.00000
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      9      14.2374      0.00000
     10      16.3282      0.00000
     11      19.2922      0.00000
     12      20.4702      0.00000
     13      22.0421      0.00000
     14      22.5188      0.00000
     15      23.5923      0.00000
     16      24.4581      0.00000

 k-point   140 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.9277      2.00000
      2      -1.5375      2.00000
      3       2.0770      2.00000
      4       2.9631      2.00000
      5       7.6610      0.00000
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      9      15.9298      0.00000
     10      16.5635      0.00000
     11      19.2664      0.00000
     12      20.0664      0.00000
     13      21.7861      0.00000
     14      22.5986      0.00000
     15      22.9649      0.00000
     16      23.3970      0.00000

 k-point   141 :      -0.4545   -0.3636   -0.9091
  band No.  band energies     occupation 
      1      -2.4757      2.00000
      2      -1.0499      2.00000
      3       2.7706      2.00000
      4       2.8699      2.00000
      5       7.3795      0.00000
      6       7.6622      0.00000
      7      14.2441      0.00000
      8      15.4520      0.00000
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     10      17.5969      0.00000
     11      18.3068      0.00000
     12      19.8403      0.00000
     13      19.9433      0.00000
     14      21.8779      0.00000
     15      22.9712      0.00000
     16      24.3616      0.00000

 k-point   142 :      -0.1818   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.9712      2.00000
      2       0.6212      2.00000
      3       2.8780      2.00000
      4       3.8425      2.00000
      5       8.2031      0.00000
      6       9.7455      0.00000
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     10      16.8782      0.00000
     11      18.1368      0.00000
     12      18.6924      0.00000
     13      20.5900      0.00000
     14      21.0636      0.00000
     15      22.7159      0.00000
     16      24.3926      0.00000

 k-point   143 :      -0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1079      2.00000
      2       0.3067      2.00000
      3       3.3455      2.00000
      4       4.5168      2.00000
      5       8.8035      0.00000
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     10      15.9245      0.00000
     11      17.8332      0.00000
     12      18.1662      0.00000
     13      20.7326      0.00000
     14      21.6476      0.00000
     15      23.1975      0.00000
     16      24.1370      0.00000

 k-point   144 :       0.0000   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2188      2.00000
      3       4.1249      2.00000
      4       5.2407      2.00000
      5       8.5160      0.00000
      6       9.6246      0.00000
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     10      15.4433      0.00000
     11      15.7683      0.00000
     12      19.1368      0.00000
     13      20.4209      0.00000
     14      22.2355      0.00000
     15      22.3244      0.00000
     16      24.1384      0.00000

 k-point   145 :       0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5373      2.00000
      2       0.7285      2.00000
      3       4.5312      2.00000
      4       4.5822      2.00000
      5       8.3213      0.00000
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     10      14.9960      0.00000
     11      15.8085      0.00000
     12      19.8462      0.00000
     13      19.9335      0.00000
     14      21.5104      0.00000
     15      23.1411      0.00000
     16      23.7553      0.00000

 k-point   146 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1121      2.00000
      2       0.3288      2.00000
      3       3.3091      2.00000
      4       4.5179      2.00000
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     10      15.9394      0.00000
     11      17.8441      0.00000
     12      18.1615      0.00000
     13      20.4812      0.00000
     14      21.6211      0.00000
     15      23.2189      0.00000
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 k-point   147 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5230      2.00000
      2      -0.0521      2.00000
      3       2.1941      2.00000
      4       4.0949      2.00000
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     10      14.9634      0.00000
     11      18.5453      0.00000
     12      20.3911      0.00000
     13      20.8202      0.00000
     14      21.4060      0.00000
     15      24.0625      0.00000
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 k-point   148 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.8550      2.00000
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      3       1.6502      2.00000
      4       3.6307      2.00000
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     10      14.9575      0.00000
     11      20.3695      0.00000
     12      20.8301      0.00000
     13      20.9526      0.00000
     14      22.8824      0.00000
     15      22.9142      0.00000
     16      24.0315      0.00000

 k-point   149 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.4971      2.00000
      2      -0.9707      2.00000
      3       1.7614      2.00000
      4       3.2950      2.00000
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     10      16.3413      0.00000
     11      19.4529      0.00000
     12      20.5911      0.00000
     13      21.7971      0.00000
     14      22.2362      0.00000
     15      23.4390      0.00000
     16      24.6966      0.00000

 k-point   150 :       0.5455   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9839      2.00000
      2      -0.4476      2.00000
      3       2.2923      2.00000
      4       3.1656      2.00000
      5       7.8210      0.00000
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     10      17.4905      0.00000
     11      18.3200      0.00000
     12      20.0002      0.00000
     13      20.8198      0.00000
     14      21.4001      0.00000
     15      23.4192      0.00000
     16      23.9499      0.00000

 k-point   151 :      -0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6667      2.00000
      2       0.3812      2.00000
      3       2.9525      2.00000
      4       3.3390      2.00000
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     10      17.3016      0.00000
     11      17.9803      0.00000
     12      19.4941      0.00000
     13      20.3872      0.00000
     14      21.0663      0.00000
     15      22.3993      0.00000
     16      23.2016      0.00000

 k-point   152 :      -0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.7963      2.00000
      2       1.6951      2.00000
      3       3.5941      2.00000
      4       4.8906      2.00000
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     10      16.0879      0.00000
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     12      18.5880      0.00000
     13      20.1553      0.00000
     14      21.5735      0.00000
     15      22.3271      0.00000
     16      24.5157      0.00000

 k-point   153 :      -0.0000   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3633      2.00000
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      3       4.4268      2.00000
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     10      14.3378      0.00000
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     13      19.3530      0.00000
     14      21.1688      0.00000
     15      23.4138      0.00000
     16      24.7651      0.00000

 k-point   154 :       0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.1842      2.00000
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      3       4.7682      2.00000
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     10      14.0663      0.00000
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     14      21.3095      0.00000
     15      23.3284      0.00000
     16      23.9415      0.00000

 k-point   155 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7150      2.00000
      3       3.5688      2.00000
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     10      16.0938      0.00000
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     13      20.1318      0.00000
     14      21.5493      0.00000
     15      22.2743      0.00000
     16      24.2977      0.00000

 k-point   156 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2303      2.00000
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      3       2.6024      2.00000
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     10      16.6943      0.00000
     11      18.2963      0.00000
     12      18.6493      0.00000
     13      19.7424      0.00000
     14      22.0911      0.00000
     15      22.4807      0.00000
     16      25.0811      0.00000

 k-point   157 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5497      2.00000
      2      -0.0724      2.00000
      3       2.2492      2.00000
      4       4.1062      2.00000
      5       8.9384      0.00000
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     10      14.9909      0.00000
     11      18.6264      0.00000
     12      20.4735      0.00000
     13      20.8474      0.00000
     14      21.3466      0.00000
     15      23.6440      0.00000
     16      24.0564      0.00000

 k-point   158 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.0540      2.00000
      2      -0.7565      2.00000
      3       2.2657      2.00000
      4       3.7985      2.00000
      5       8.5725      0.00000
      6      10.2090      0.00000
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     10      16.2350      0.00000
     11      18.4524      0.00000
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     13      21.7684      0.00000
     14      22.5100      0.00000
     15      23.4945      0.00000
     16      24.6173      0.00000

 k-point   159 :       0.5455   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.3367      2.00000
      2      -0.3796      2.00000
      3       2.4879      2.00000
      4       3.7000      2.00000
      5       8.3605      0.00000
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     10      16.9834      0.00000
     11      17.9831      0.00000
     12      19.2525      0.00000
     13      19.9257      0.00000
     14      22.6305      0.00000
     15      24.2021      0.00000
     16      24.7687      0.00000

 k-point   160 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.0140      2.00000
      2       0.6570      2.00000
      3       2.8554      2.00000
      4       3.8555      2.00000
      5       8.2322      0.00000
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     10      16.7714      0.00000
     11      17.9984      0.00000
     12      18.6722      0.00000
     13      20.3661      0.00000
     14      21.0032      0.00000
     15      22.5203      0.00000
     16      24.4570      0.00000

 k-point   161 :      -0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.6332      2.00000
      2       1.7565      2.00000
      3       3.4242      2.00000
      4       4.1781      2.00000
      5       7.8723      0.00000
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      7      11.2082      0.00000
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     10      16.1125      0.00000
     11      17.6487      0.00000
     12      18.7068      0.00000
     13      19.9113      0.00000
     14      21.4298      0.00000
     15      21.4304      0.00000
     16      23.8720      0.00000

 k-point   162 :       0.0909   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6524      2.00000
      2       3.9314      2.00000
      3       5.0951      2.00000
      4       5.3326      2.00000
      5       8.3459      0.00000
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      7       9.8608      0.00000
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     10      13.8993      0.00000
     11      15.5746      0.00000
     12      17.2570      0.00000
     13      18.5107      0.00000
     14      19.4745      0.00000
     15      23.9969      0.00000
     16      25.7477      0.00000

 k-point   163 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0277      2.00000
      3       4.1815      2.00000
      4       5.2263      2.00000
      5       8.4031      0.00000
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     10      14.5855      0.00000
     11      16.4309      0.00000
     12      17.6575      0.00000
     13      18.8574      0.00000
     14      20.8134      0.00000
     15      23.4207      0.00000
     16      25.1175      0.00000

 k-point   164 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6455      2.00000
      3       3.6568      2.00000
      4       4.9192      2.00000
      5       8.7728      0.00000
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     10      16.1816      0.00000
     11      16.5619      0.00000
     12      18.4649      0.00000
     13      20.0553      0.00000
     14      21.5767      0.00000
     15      22.2163      0.00000
     16      24.4015      0.00000

 k-point   165 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2762      2.00000
      3       3.4093      2.00000
      4       4.5692      2.00000
      5       8.8721      0.00000
      6       9.4305      0.00000
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      8      11.7189      0.00000
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     10      16.0411      0.00000
     11      18.0030      0.00000
     12      18.1438      0.00000
     13      20.4896      0.00000
     14      21.4893      0.00000
     15      22.9882      0.00000
     16      24.0082      0.00000

 k-point   166 :      -0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5331      2.00000
      2      -0.7075      2.00000
      3       3.3052      2.00000
      4       4.3490      2.00000
      5       8.8863      0.00000
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     10      16.0551      0.00000
     11      17.4160      0.00000
     12      18.8752      0.00000
     13      19.9042      0.00000
     14      21.4042      0.00000
     15      23.9404      0.00000
     16      25.7307      0.00000

 k-point   167 :       0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5453      2.00000
      2      -0.6893      2.00000
      3       3.2884      2.00000
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     10      16.0555      0.00000
     11      17.4018      0.00000
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     13      19.6193      0.00000
     14      21.7182      0.00000
     15      23.9745      0.00000
     16      25.7190      0.00000

 k-point   168 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1654      2.00000
      2       0.3129      2.00000
      3       3.3633      2.00000
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     10      15.9324      0.00000
     11      17.7297      0.00000
     12      17.9842      0.00000
     13      20.4374      0.00000
     14      21.4965      0.00000
     15      23.0262      0.00000
     16      24.2328      0.00000

 k-point   169 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8266      2.00000
      2       1.6848      2.00000
      3       3.5936      2.00000
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      6       9.7843      0.00000
      7      10.8529      0.00000
      8      11.0484      0.00000
      9      13.7966      0.00000
     10      15.9870      0.00000
     11      16.5189      0.00000
     12      18.4145      0.00000
     13      19.9412      0.00000
     14      21.3812      0.00000
     15      22.1529      0.00000
     16      24.3629      0.00000

 k-point   170 :      -0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0307      2.00000
      3       4.1437      2.00000
      4       5.2365      2.00000
      5       8.4646      0.00000
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      9      13.2279      0.00000
     10      14.5235      0.00000
     11      16.3755      0.00000
     12      17.6654      0.00000
     13      18.7852      0.00000
     14      20.7174      0.00000
     15      23.1247      0.00000
     16      25.1172      0.00000

 k-point   171 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4701      2.00000
      2       3.7747      2.00000
      3       4.6391      2.00000
      4       4.7636      2.00000
      5       7.6462      0.00000
      6      10.2595      0.00000
      7      10.6533      0.00000
      8      10.7675      0.00000
      9      13.0303      0.00000
     10      14.4548      0.00000
     11      16.2422      0.00000
     12      18.3592      0.00000
     13      18.4346      0.00000
     14      19.0090      0.00000
     15      25.1477      0.00000
     16      25.4151      0.00000

 k-point   172 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0765      2.00000
      2       2.5559      2.00000
      3       4.2702      2.00000
      4       4.4176      2.00000
      5       7.6952      0.00000
      6       9.7696      0.00000
      7      10.9688      0.00000
      8      11.3428      0.00000
      9      14.3217      0.00000
     10      14.8072      0.00000
     11      16.9792      0.00000
     12      18.3730      0.00000
     13      19.3370      0.00000
     14      20.5879      0.00000
     15      23.3299      0.00000
     16      23.8742      0.00000

 k-point   173 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.4985      2.00000
      2       1.1385      2.00000
      3       3.7674      2.00000
      4       4.2175      2.00000
      5       7.9675      0.00000
      6      10.0591      0.00000
      7      10.8012      0.00000
      8      11.3992      0.00000
      9      15.6818      0.00000
     10      16.0654      0.00000
     11      16.7414      0.00000
     12      19.5523      0.00000
     13      19.6532      0.00000
     14      21.3714      0.00000
     15      22.2953      0.00000
     16      23.5653      0.00000

 k-point   174 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.8144      2.00000
      2      -0.1178      2.00000
      3       3.2884      2.00000
      4       4.1818      2.00000
      5       8.0302      0.00000
      6      10.6021      0.00000
      7      11.1339      0.00000
      8      11.2382      0.00000
      9      16.1055      0.00000
     10      17.0377      0.00000
     11      17.9098      0.00000
     12      17.9864      0.00000
     13      19.0619      0.00000
     14      22.3007      0.00000
     15      23.9655      0.00000
     16      24.1078      0.00000

 k-point   175 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.3410      2.00000
      2      -0.8182      2.00000
      3       2.9366      2.00000
      4       4.3100      2.00000
      5       8.1439      0.00000
      6      10.4870      0.00000
      7      10.8457      0.00000
      8      12.8628      0.00000
      9      15.3579      0.00000
     10      15.7198      0.00000
     11      17.7285      0.00000
     12      19.0356      0.00000
     13      19.9434      0.00000
     14      21.7939      0.00000
     15      24.9727      0.00000
     16      25.2352      0.00000

 k-point   176 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6397      2.00000
      2      -0.3820      2.00000
      3       2.7607      2.00000
      4       4.5862      2.00000
      5       8.4134      0.00000
      6      10.4785      0.00000
      7      10.6343      0.00000
      8      13.9657      0.00000
      9      14.0405      0.00000
     10      14.6496      0.00000
     11      17.5250      0.00000
     12      19.9140      0.00000
     13      21.0483      0.00000
     14      21.3858      0.00000
     15      22.7495      0.00000
     16      24.9766      0.00000

 k-point   177 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.3156      2.00000
      2       0.7621      2.00000
      3       2.8150      2.00000
      4       4.9726      2.00000
      5       8.8064      0.00000
      6      10.4142      0.00000
      7      10.5140      0.00000
      8      12.6524      0.00000
      9      12.6790      0.00000
     10      16.1698      0.00000
     11      17.9780      0.00000
     12      18.1627      0.00000
     13      20.0495      0.00000
     14      22.0966      0.00000
     15      22.8901      0.00000
     16      24.0917      0.00000

 k-point   178 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9338      2.00000
      2       1.9780      2.00000
      3       3.2801      2.00000
      4       5.3873      2.00000
      5       9.1775      0.00000
      6       9.9378      0.00000
      7      10.1912      0.00000
      8      11.9313      0.00000
      9      12.2226      0.00000
     10      16.0839      0.00000
     11      16.7603      0.00000
     12      17.8083      0.00000
     13      19.7996      0.00000
     14      21.0549      0.00000
     15      22.6595      0.00000
     16      25.0118      0.00000

 k-point   179 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0278      2.00000
      3       4.1819      2.00000
      4       5.2258      2.00000
      5       8.4030      0.00000
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      8      10.8596      0.00000
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     10      14.5842      0.00000
     11      16.4314      0.00000
     12      17.6584      0.00000
     13      18.8593      0.00000
     14      20.8111      0.00000
     15      23.4180      0.00000
     16      25.1189      0.00000

 k-point   180 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6457      2.00000
      3       3.6573      2.00000
      4       4.9187      2.00000
      5       8.7726      0.00000
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     10      16.1801      0.00000
     11      16.5629      0.00000
     12      18.4659      0.00000
     13      20.0551      0.00000
     14      21.5761      0.00000
     15      22.2161      0.00000
     16      24.4023      0.00000

 k-point   181 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2763      2.00000
      3       3.4100      2.00000
      4       4.5686      2.00000
      5       8.8715      0.00000
      6       9.4294      0.00000
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      8      11.7186      0.00000
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     10      16.0416      0.00000
     11      18.0013      0.00000
     12      18.1429      0.00000
     13      20.4914      0.00000
     14      21.4905      0.00000
     15      22.9898      0.00000
     16      24.0085      0.00000

 k-point   182 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5332      2.00000
      2      -0.7074      2.00000
      3       3.3058      2.00000
      4       4.3485      2.00000
      5       8.8853      0.00000
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     10      16.0554      0.00000
     11      17.4173      0.00000
     12      18.8773      0.00000
     13      19.9024      0.00000
     14      21.4045      0.00000
     15      23.9427      0.00000
     16      25.7308      0.00000

 k-point   183 :       0.6364    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5452      2.00000
      2      -0.6893      2.00000
      3       3.2888      2.00000
      4       4.3460      2.00000
      5       8.8743      0.00000
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     10      16.0565      0.00000
     11      17.4030      0.00000
     12      18.8173      0.00000
     13      19.6194      0.00000
     14      21.7163      0.00000
     15      23.9749      0.00000
     16      25.7187      0.00000

 k-point   184 :      -0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1653      2.00000
      2       0.3129      2.00000
      3       3.3634      2.00000
      4       4.5607      2.00000
      5       8.8620      0.00000
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     10      15.9326      0.00000
     11      17.7298      0.00000
     12      17.9841      0.00000
     13      20.4388      0.00000
     14      21.4969      0.00000
     15      23.0262      0.00000
     16      24.2313      0.00000

 k-point   185 :      -0.1818    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.8265      2.00000
      2       1.6848      2.00000
      3       3.5935      2.00000
      4       4.9102      2.00000
      5       8.7955      0.00000
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      7      10.8530      0.00000
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     10      15.9869      0.00000
     11      16.5191      0.00000
     12      18.4146      0.00000
     13      19.9413      0.00000
     14      21.3810      0.00000
     15      22.1531      0.00000
     16      24.3641      0.00000

 k-point   186 :      -0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0308      2.00000
      3       4.1434      2.00000
      4       5.2364      2.00000
      5       8.4636      0.00000
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     10      14.5227      0.00000
     11      16.3759      0.00000
     12      17.6650      0.00000
     13      18.7855      0.00000
     14      20.7161      0.00000
     15      23.1244      0.00000
     16      25.1199      0.00000

 k-point   187 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.4699      2.00000
      2       3.7788      2.00000
      3       4.6996      2.00000
      4       4.7000      2.00000
      5       7.6458      0.00000
      6      10.2411      0.00000
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      8      10.7233      0.00000
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     10      14.4515      0.00000
     11      16.2405      0.00000
     12      18.3908      0.00000
     13      18.3960      0.00000
     14      19.0157      0.00000
     15      25.1530      0.00000
     16      25.3442      0.00000

 k-point   188 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9103      2.00000
      2       1.9679      2.00000
      3       3.3142      2.00000
      4       5.3644      2.00000
      5       9.1021      0.00000
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     10      16.2356      0.00000
     11      16.8572      0.00000
     12      17.8264      0.00000
     13      19.9591      0.00000
     14      21.2730      0.00000
     15      22.7702      0.00000
     16      24.9470      0.00000

 k-point   189 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.2881      2.00000
      2       0.7304      2.00000
      3       2.8568      2.00000
      4       4.9504      2.00000
      5       8.7637      0.00000
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     10      16.3739      0.00000
     11      18.1610      0.00000
     12      18.3201      0.00000
     13      20.0850      0.00000
     14      22.1586      0.00000
     15      22.8292      0.00000
     16      23.9763      0.00000

 k-point   190 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.6140      2.00000
      2      -0.4028      2.00000
      3       2.7815      2.00000
      4       4.5587      2.00000
      5       8.3768      0.00000
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     10      14.9030      0.00000
     11      17.6013      0.00000
     12      20.2337      0.00000
     13      20.8779      0.00000
     14      21.3377      0.00000
     15      22.6688      0.00000
     16      25.0123      0.00000

 k-point   191 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3364      2.00000
      2      -0.8060      2.00000
      3       2.9330      2.00000
      4       4.2748      2.00000
      5       8.1086      0.00000
      6      10.5303      0.00000
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      8      13.1097      0.00000
      9      15.2359      0.00000
     10      15.6203      0.00000
     11      17.7223      0.00000
     12      18.9100      0.00000
     13      19.8330      0.00000
     14      22.1425      0.00000
     15      24.9227      0.00000
     16      25.2135      0.00000

 k-point   192 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.8249      2.00000
      2      -0.0797      2.00000
      3       3.2637      2.00000
      4       4.1380      2.00000
      5       7.9981      0.00000
      6      10.6705      0.00000
      7      11.0958      0.00000
      8      11.4658      0.00000
      9      16.1212      0.00000
     10      16.9431      0.00000
     11      17.7149      0.00000
     12      17.9175      0.00000
     13      18.9715      0.00000
     14      22.3167      0.00000
     15      23.8985      0.00000
     16      24.4204      0.00000

 k-point   193 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.5084      2.00000
      2       1.1825      2.00000
      3       3.7337      2.00000
      4       4.1654      2.00000
      5       7.9557      0.00000
      6      10.2163      0.00000
      7      10.9080      0.00000
      8      11.3613      0.00000
      9      15.6092      0.00000
     10      16.0214      0.00000
     11      16.7644      0.00000
     12      19.4433      0.00000
     13      19.5613      0.00000
     14      21.2949      0.00000
     15      22.1823      0.00000
     16      23.5079      0.00000

 k-point   194 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0818      2.00000
      2       2.5890      2.00000
      3       4.2620      2.00000
      4       4.3589      2.00000
      5       7.7221      0.00000
      6       9.8363      0.00000
      7      11.0707      0.00000
      8      11.2907      0.00000
      9      14.2551      0.00000
     10      14.8068      0.00000
     11      17.0086      0.00000
     12      18.3586      0.00000
     13      19.2746      0.00000
     14      20.5487      0.00000
     15      23.1446      0.00000
     16      23.7840      0.00000

 k-point   195 :       0.0000    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.0669      2.00000
      2       2.5877      2.00000
      3       4.3035      2.00000
      4       4.3421      2.00000
      5       7.6764      0.00000
      6       9.7450      0.00000
      7      10.9374      0.00000
      8      11.3055      0.00000
      9      14.3631      0.00000
     10      14.7733      0.00000
     11      16.9751      0.00000
     12      18.3935      0.00000
     13      19.3725      0.00000
     14      20.7077      0.00000
     15      23.4219      0.00000
     16      23.9569      0.00000

 k-point   196 :       0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.3169      2.00000
      2       3.0310      2.00000
      3       4.2135      2.00000
      4       5.2202      2.00000
      5       8.3477      0.00000
      6       9.6817      0.00000
      7      10.4489      0.00000
      8      10.8529      0.00000
      9      13.1752      0.00000
     10      14.6634      0.00000
     11      16.4773      0.00000
     12      17.6501      0.00000
     13      18.9290      0.00000
     14      20.9086      0.00000
     15      23.7149      0.00000
     16      25.1235      0.00000

 k-point   197 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2301      2.00000
      2       0.9462      2.00000
      3       2.6010      2.00000
      4       4.5298      2.00000
      5       9.3809      0.00000
      6       9.4947      0.00000
      7      10.7484      0.00000
      8      11.8749      0.00000
      9      13.7122      0.00000
     10      16.6894      0.00000
     11      18.2934      0.00000
     12      18.6496      0.00000
     13      19.7435      0.00000
     14      22.0925      0.00000
     15      22.4619      0.00000
     16      25.0791      0.00000

 k-point   198 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.5501      2.00000
      2      -0.0571      2.00000
      3       2.2237      2.00000
      4       4.1181      2.00000
      5       8.9264      0.00000
      6       9.8867      0.00000
      7      11.7258      0.00000
      8      12.3964      0.00000
      9      14.5407      0.00000
     10      14.9903      0.00000
     11      18.6700      0.00000
     12      20.4540      0.00000
     13      20.6644      0.00000
     14      21.2691      0.00000
     15      23.8867      0.00000
     16      24.3109      0.00000

 k-point   199 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.0464      2.00000
      2      -0.7503      2.00000
      3       2.2318      2.00000
      4       3.8270      2.00000
      5       8.5445      0.00000
      6      10.0951      0.00000
      7      12.4974      0.00000
      8      12.9730      0.00000
      9      13.4631      0.00000
     10      16.0565      0.00000
     11      18.3585      0.00000
     12      19.2003      0.00000
     13      22.0982      0.00000
     14      22.5348      0.00000
     15      23.5300      0.00000
     16      24.6922      0.00000

 k-point   200 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.3174      2.00000
      2      -0.3913      2.00000
      3       2.4584      2.00000
      4       3.7390      2.00000
      5       8.3145      0.00000
      6      10.3672      0.00000
      7      11.2556      0.00000
      8      12.6396      0.00000
      9      15.2566      0.00000
     10      16.7631      0.00000
     11      17.8275      0.00000
     12      19.2051      0.00000
     13      20.2295      0.00000
     14      22.5787      0.00000
     15      24.2993      0.00000
     16      24.8306      0.00000

 k-point   201 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.9938      2.00000
      2       0.6364      2.00000
      3       2.8487      2.00000
      4       3.8876      2.00000
      5       8.1754      0.00000
      6       9.8135      0.00000
      7      10.8281      0.00000
      8      12.6453      0.00000
      9      15.4362      0.00000
     10      16.9773      0.00000
     11      18.2268      0.00000
     12      18.7047      0.00000
     13      20.2269      0.00000
     14      20.9929      0.00000
     15      22.5648      0.00000
     16      24.5801      0.00000

 k-point   202 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.6151      2.00000
      2       1.7362      2.00000
      3       3.4452      2.00000
      4       4.1914      2.00000
      5       7.8265      0.00000
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      8      12.1851      0.00000
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     10      16.2442      0.00000
     11      17.7037      0.00000
     12      18.6757      0.00000
     13      20.0481      0.00000
     14      21.4957      0.00000
     15      21.6415      0.00000
     16      23.8590      0.00000

 k-point   203 :       0.0000    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.4715      2.00000
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     10      16.1099      0.00000
     11      16.6803      0.00000
     12      19.6849      0.00000
     13      19.7934      0.00000
     14      21.4656      0.00000
     15      22.3565      0.00000
     16      23.7037      0.00000

 k-point   204 :       0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.7816      2.00000
      2       1.6762      2.00000
      3       3.6310      2.00000
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     10      16.3015      0.00000
     11      16.5585      0.00000
     12      18.5881      0.00000
     13      20.2366      0.00000
     14      21.7579      0.00000
     15      22.3338      0.00000
     16      24.3463      0.00000

 k-point   205 :       0.1818    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.8863      2.00000
      2       1.9588      2.00000
      3       3.3451      2.00000
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     10      16.4109      0.00000
     11      16.9408      0.00000
     12      17.8337      0.00000
     13      20.1063      0.00000
     14      21.5029      0.00000
     15      22.8900      0.00000
     16      24.9295      0.00000

 k-point   206 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6861      2.00000
      2      -0.7561      2.00000
      3       1.8733      2.00000
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     10      16.7473      0.00000
     11      18.6455      0.00000
     12      20.3914      0.00000
     13      21.8219      0.00000
     14      22.7394      0.00000
     15      23.2359      0.00000
     16      24.9848      0.00000

 k-point   207 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3218      2.00000
      2      -0.0574      2.00000
      3       2.1788      2.00000
      4       3.3831      2.00000
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     10      15.7369      0.00000
     11      19.7407      0.00000
     12      20.1932      0.00000
     13      20.5153      0.00000
     14      20.8942      0.00000
     15      23.0587      0.00000
     16      24.3562      0.00000

 k-point   208 :      -0.0909    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.9709      2.00000
      2       0.6213      2.00000
      3       2.8774      2.00000
      4       3.8426      2.00000
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     10      16.8791      0.00000
     11      18.1385      0.00000
     12      18.6922      0.00000
     13      20.5896      0.00000
     14      21.0630      0.00000
     15      22.7155      0.00000
     16      24.3921      0.00000

 k-point   209 :       0.0000    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.7570      2.00000
      2      -0.1099      2.00000
      3       3.2566      2.00000
      4       4.1010      2.00000
      5       7.9525      0.00000
      6      10.5018      0.00000
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     10      16.9909      0.00000
     11      17.8812      0.00000
     12      18.0814      0.00000
     13      19.1708      0.00000
     14      22.5258      0.00000
     15      24.0722      0.00000
     16      24.2551      0.00000

 k-point   210 :       0.0909    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.0916      2.00000
      2       0.2908      2.00000
      3       3.3554      2.00000
      4       4.5287      2.00000
      5       8.7185      0.00000
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     10      16.0347      0.00000
     11      18.1234      0.00000
     12      18.3315      0.00000
     13      20.5295      0.00000
     14      21.6165      0.00000
     15      23.1846      0.00000
     16      24.1427      0.00000

 k-point   211 :       0.1818    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2408      2.00000
      2       0.7316      2.00000
      3       2.8400      2.00000
      4       4.9094      2.00000
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     10      16.4500      0.00000
     11      18.3216      0.00000
     12      18.4387      0.00000
     13      20.2348      0.00000
     14      22.3792      0.00000
     15      22.9527      0.00000
     16      23.9560      0.00000

 k-point   212 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.1942      2.00000
      2       0.9187      2.00000
      3       2.6214      2.00000
      4       4.5142      2.00000
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     10      16.8873      0.00000
     11      18.4976      0.00000
     12      18.6673      0.00000
     13      19.8337      0.00000
     14      22.2584      0.00000
     15      22.4949      0.00000
     16      25.1107      0.00000

 k-point   213 :      -0.1818   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6482      2.00000
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      3       1.9117      2.00000
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     10      17.0187      0.00000
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     12      20.0918      0.00000
     13      21.6927      0.00000
     14      22.6986      0.00000
     15      23.2757      0.00000
     16      24.9049      0.00000

 k-point   214 :      -0.0909   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.2606      2.00000
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      3       2.4938      2.00000
      4       3.6670      2.00000
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     12      19.3121      0.00000
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     14      22.7870      0.00000
     15      24.0066      0.00000
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 k-point   215 :      -0.0000   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.2435      2.00000
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     10      15.7580      0.00000
     11      17.7185      0.00000
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     14      21.9921      0.00000
     15      25.2142      0.00000
     16      25.4549      0.00000

 k-point   216 :       0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.4407      2.00000
      2      -0.7297      2.00000
      3       3.2380      2.00000
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     10      15.9703      0.00000
     11      17.3844      0.00000
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     13      20.0624      0.00000
     14      21.6347      0.00000
     15      24.1168      0.00000
     16      25.9584      0.00000

 k-point   217 :       0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5326      2.00000
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      3       2.7451      2.00000
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     10      15.0549      0.00000
     11      17.6011      0.00000
     12      20.3668      0.00000
     13      20.9970      0.00000
     14      21.4165      0.00000
     15      22.7713      0.00000
     16      25.2644      0.00000

 k-point   218 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.4839      2.00000
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     10      15.1938      0.00000
     11      18.6092      0.00000
     12      20.6769      0.00000
     13      20.8572      0.00000
     14      21.3751      0.00000
     15      23.8643      0.00000
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 k-point   219 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.2746      2.00000
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      3       2.1858      2.00000
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     10      15.6165      0.00000
     11      19.7515      0.00000
     12      20.4581      0.00000
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     14      20.9101      0.00000
     15      23.0595      0.00000
     16      24.4643      0.00000

 k-point   220 :      -0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6484      2.00000
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      3       1.9121      2.00000
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     10      17.0181      0.00000
     11      18.9820      0.00000
     12      20.0920      0.00000
     13      21.6936      0.00000
     14      22.6970      0.00000
     15      23.2758      0.00000
     16      24.9070      0.00000

 k-point   221 :      -0.0909   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.9761      2.00000
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      3       2.2482      2.00000
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     10      16.3457      0.00000
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     13      21.9353      0.00000
     14      22.3160      0.00000
     15      23.6957      0.00000
     16      24.5945      0.00000

 k-point   222 :      -0.0000   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.5595      2.00000
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      3       2.7262      2.00000
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     10      14.8028      0.00000
     11      17.5255      0.00000
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     15      22.8527      0.00000
     16      25.2230      0.00000

 k-point   223 :       0.0909    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.4540      2.00000
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      3       3.2214      2.00000
      4       4.3021      2.00000
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     10      15.9636      0.00000
     11      17.3621      0.00000
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     14      21.9537      0.00000
     15      24.1538      0.00000
     16      25.9459      0.00000

 k-point   224 :       0.1818    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.2398      2.00000
      2      -0.8399      2.00000
      3       2.8912      2.00000
      4       4.2035      2.00000
      5       8.0264      0.00000
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     10      15.6180      0.00000
     11      17.7038      0.00000
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     14      22.3485      0.00000
     15      25.1558      0.00000
     16      25.4402      0.00000

 k-point   225 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -2.9531      2.00000
      2      -0.8055      2.00000
      3       2.2228      2.00000
      4       3.7629      2.00000
      5       8.4669      0.00000
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     10      16.1219      0.00000
     11      18.3741      0.00000
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     13      21.9697      0.00000
     14      22.6851      0.00000
     15      23.6746      0.00000
     16      24.7162      0.00000

 k-point   226 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6067      2.00000
      2      -0.8279      2.00000
      3       1.8851      2.00000
      4       3.0453      2.00000
      5       9.4707      0.00000
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     10      16.7925      0.00000
     11      18.8013      0.00000
     12      20.2445      0.00000
     13      21.8071      0.00000
     14      22.9384      0.00000
     15      23.2787      0.00000
     16      24.9037      0.00000

 k-point   227 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.1940      2.00000
      2      -1.1829      2.00000
      3       2.1177      2.00000
      4       2.5275      2.00000
      5       9.0539      0.00000
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     10      17.2906      0.00000
     11      18.6752      0.00000
     12      20.0844      0.00000
     13      21.8400      0.00000
     14      22.9283      0.00000
     15      23.2085      0.00000
     16      24.4294      0.00000

 k-point   228 :      -0.0909   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2      -0.0666      2.00000
      3       2.2191      2.00000
      4       4.0848      2.00000
      5       8.9147      0.00000
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     10      14.9666      0.00000
     11      18.5033      0.00000
     12      20.3756      0.00000
     13      21.0459      0.00000
     14      21.4644      0.00000
     15      23.7933      0.00000
     16      24.0772      0.00000

 k-point   229 :      -0.0000   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2693      2.00000
      2       0.7650      2.00000
      3       2.7994      2.00000
      4       4.9286      2.00000
      5       8.7292      0.00000
      6      10.3136      0.00000
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     10      16.2593      0.00000
     11      18.1451      0.00000
     12      18.2513      0.00000
     13      20.2065      0.00000
     14      22.3172      0.00000
     15      23.0029      0.00000
     16      24.0564      0.00000

 k-point   230 :       0.0909   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.1122      2.00000
      2       0.3290      2.00000
      3       3.3097      2.00000
      4       4.5173      2.00000
      5       8.7119      0.00000
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     10      15.9399      0.00000
     11      17.8425      0.00000
     12      18.1605      0.00000
     13      20.4832      0.00000
     14      21.6224      0.00000
     15      23.2202      0.00000
     16      24.3658      0.00000

 k-point   231 :       0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.7692      2.00000
      2      -0.0705      2.00000
      3       3.2279      2.00000
      4       4.0598      2.00000
      5       7.9225      0.00000
      6      10.5733      0.00000
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      9      16.0654      0.00000
     10      16.9241      0.00000
     11      17.7900      0.00000
     12      17.8838      0.00000
     13      19.0613      0.00000
     14      22.5370      0.00000
     15      24.0166      0.00000
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 k-point   232 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4032      2.00000
      3       2.4479      2.00000
      4       3.6682      2.00000
      5       8.2436      0.00000
      6      10.3378      0.00000
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     10      16.8571      0.00000
     11      17.9075      0.00000
     12      19.2306      0.00000
     13      20.0936      0.00000
     14      22.7700      0.00000
     15      24.3809      0.00000
     16      24.9031      0.00000

 k-point   233 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2      -0.7880      2.00000
      3       1.8784      2.00000
      4       3.0431      2.00000
      5       9.4093      0.00000
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     10      16.8721      0.00000
     11      18.7362      0.00000
     12      20.2485      0.00000
     13      21.8221      0.00000
     14      22.7073      0.00000
     15      23.2735      0.00000
     16      25.1429      0.00000

 k-point   234 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.0474      2.00000
      2      -1.2891      2.00000
      3       1.8332      2.00000
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     10      16.9643      0.00000
     11      19.0214      0.00000
     12      20.2290      0.00000
     13      21.8998      0.00000
     14      22.9488      0.00000
     15      24.4111      0.00000
     16      24.6040      0.00000

 k-point   235 :      -0.4545   -0.2727   -0.8182
  band No.  band energies     occupation 
      1      -2.3069      2.00000
      2      -1.0667      2.00000
      3       2.1325      2.00000
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      5       9.0644      0.00000
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     10      17.3564      0.00000
     11      18.7313      0.00000
     12      20.0300      0.00000
     13      21.8516      0.00000
     14      22.5455      0.00000
     15      23.2476      0.00000
     16      24.5670      0.00000

 k-point   236 :       0.0909   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7152      2.00000
      3       3.5693      2.00000
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      8      11.0013      0.00000
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     10      16.0923      0.00000
     11      16.5266      0.00000
     12      18.5450      0.00000
     13      20.1314      0.00000
     14      21.5487      0.00000
     15      22.2743      0.00000
     16      24.2984      0.00000

 k-point   237 :       0.1818   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4825      2.00000
      2       1.2169      2.00000
      3       3.7202      2.00000
      4       4.0862      2.00000
      5       7.9051      0.00000
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      8      11.3201      0.00000
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     10      16.0055      0.00000
     11      16.7047      0.00000
     12      19.5983      0.00000
     13      19.6939      0.00000
     14      21.3945      0.00000
     15      22.2282      0.00000
     16      23.6413      0.00000

 k-point   238 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6512      2.00000
      3       2.8396      2.00000
      4       3.8368      2.00000
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     10      16.9125      0.00000
     11      18.1508      0.00000
     12      18.7213      0.00000
     13      20.3871      0.00000
     14      21.0419      0.00000
     15      22.6658      0.00000
     16      24.4845      0.00000

 k-point   239 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0579      2.00000
      3       2.1808      2.00000
      4       3.3809      2.00000
      5       9.1312      0.00000
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      9      15.1512      0.00000
     10      15.7242      0.00000
     11      19.7500      0.00000
     12      20.2989      0.00000
     13      20.4467      0.00000
     14      20.8650      0.00000
     15      23.0412      0.00000
     16      24.3477      0.00000

 k-point   240 :      -0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6958      2.00000
      2      -0.7638      2.00000
      3       1.9072      2.00000
      4       3.0570      2.00000
      5       9.5861      0.00000
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      8      13.1257      0.00000
      9      14.3402      0.00000
     10      16.8867      0.00000
     11      18.8984      0.00000
     12      20.2370      0.00000
     13      21.7063      0.00000
     14      22.7204      0.00000
     15      23.2139      0.00000
     16      24.7459      0.00000

 k-point   241 :       0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.7276      2.00000
      2      -0.7273      2.00000
      3       1.9002      2.00000
      4       3.0554      2.00000
      5       9.5339      0.00000
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      8      12.9191      0.00000
      9      14.3549      0.00000
     10      16.9664      0.00000
     11      18.8319      0.00000
     12      20.2400      0.00000
     13      21.7218      0.00000
     14      22.4899      0.00000
     15      23.2198      0.00000
     16      24.9767      0.00000

 k-point   242 :      -0.3636   -0.1818   -0.8182
  band No.  band energies     occupation 
      1      -3.3690      2.00000
      2      -0.0122      2.00000
      3       2.1744      2.00000
      4       3.3790      2.00000
      5       9.1868      0.00000
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     10      15.8275      0.00000
     11      19.7510      0.00000
     12      20.1095      0.00000
     13      20.4450      0.00000
     14      20.8376      0.00000
     15      23.0112      0.00000
     16      24.2298      0.00000

 k-point   243 :       0.1818   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.0730      2.00000
      2       2.6161      2.00000
      3       4.2848      2.00000
      4       4.2959      2.00000
      5       7.7028      0.00000
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      9      14.2944      0.00000
     10      14.7660      0.00000
     11      17.0137      0.00000
     12      18.3749      0.00000
     13      19.3131      0.00000
     14      20.6677      0.00000
     15      23.3012      0.00000
     16      23.8151      0.00000

 k-point   244 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7333      2.00000
      3       3.4477      2.00000
      4       4.1902      2.00000
      5       7.8250      0.00000
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     10      16.2460      0.00000
     11      17.7169      0.00000
     12      18.6673      0.00000
     13      20.0461      0.00000
     14      21.5276      0.00000
     15      21.6197      0.00000
     16      23.8920      0.00000

 k-point   245 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.9903      2.00000
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      3       2.8885      2.00000
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      5       8.2452      0.00000
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     10      16.9536      0.00000
     11      18.2191      0.00000
     12      18.6822      0.00000
     13      20.4296      0.00000
     14      21.0199      0.00000
     15      22.6072      0.00000
     16      24.4882      0.00000

 k-point   246 :      -0.5455   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.3167      2.00000
      2      -0.4228      2.00000
      3       2.5026      2.00000
      4       3.7380      2.00000
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     10      16.9104      0.00000
     11      17.9992      0.00000
     12      19.2505      0.00000
     13      20.2098      0.00000
     14      22.6044      0.00000
     15      23.9589      0.00000
     16      24.7811      0.00000

 k-point   247 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.0697      2.00000
      2      -0.7493      2.00000
      3       2.2557      2.00000
      4       3.8294      2.00000
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     10      16.2895      0.00000
     11      18.3809      0.00000
     12      19.3281      0.00000
     13      22.0453      0.00000
     14      22.2048      0.00000
     15      23.5752      0.00000
     16      24.5455      0.00000

 k-point   248 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5872      2.00000
      2      -0.0306      2.00000
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     10      14.8193      0.00000
     11      18.5618      0.00000
     12      20.2092      0.00000
     13      20.8094      0.00000
     14      21.3613      0.00000
     15      23.8066      0.00000
     16      24.1530      0.00000

 k-point   249 :      -0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.2655      2.00000
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      3       2.5810      2.00000
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     10      16.4953      0.00000
     11      18.1011      0.00000
     12      18.6349      0.00000
     13      19.6513      0.00000
     14      21.9224      0.00000
     15      22.4546      0.00000
     16      25.1097      0.00000

 k-point   250 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7471      2.00000
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      3       3.8918      2.00000
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     10      15.2658      0.00000
     11      18.1446      0.00000
     12      19.4147      0.00000
     13      19.4751      0.00000
     14      20.2504      0.00000
     15      23.2504      0.00000
     16      23.2589      0.00000

 k-point   251 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2245      2.00000
      2       1.1455      2.00000
      3       3.3721      2.00000
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     10      16.3258      0.00000
     11      18.3314      0.00000
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     13      20.0492      0.00000
     14      21.0197      0.00000
     15      22.1349      0.00000
     16      23.0333      0.00000

 k-point   252 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5583      2.00000
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      3       2.6617      2.00000
      4       3.7396      2.00000
      5       7.4233      0.00000
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     10      17.4393      0.00000
     11      17.8830      0.00000
     12      18.2965      0.00000
     13      19.8909      0.00000
     14      21.8953      0.00000
     15      23.0056      0.00000
     16      24.6924      0.00000

 k-point   253 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9525      2.00000
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      3       2.0870      2.00000
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     10      15.8149      0.00000
     11      19.3032      0.00000
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     13      20.1979      0.00000
     14      23.8422      0.00000
     15      23.8794      0.00000
     16      24.3225      0.00000

 k-point   254 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.0327      2.00000
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      3       1.7867      2.00000
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     10      14.1139      0.00000
     11      19.2409      0.00000
     12      21.4039      0.00000
     13      21.5285      0.00000
     14      22.2216      0.00000
     15      22.7934      0.00000
     16      24.1219      0.00000

 k-point   255 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6735      2.00000
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      3       1.9354      2.00000
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     10      14.6657      0.00000
     11      19.2109      0.00000
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     13      20.3599      0.00000
     14      22.9840      0.00000
     15      23.5015      0.00000
     16      23.6389      0.00000

 k-point   256 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7334      2.00000
      3       3.4481      2.00000
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     10      16.2442      0.00000
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     13      20.0460      0.00000
     14      21.5277      0.00000
     15      21.6191      0.00000
     16      23.8926      0.00000

 k-point   257 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.9904      2.00000
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      3       2.8888      2.00000
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     10      16.9525      0.00000
     11      18.2172      0.00000
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     13      20.4314      0.00000
     14      21.0216      0.00000
     15      22.6083      0.00000
     16      24.4894      0.00000

 k-point   258 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.3167      2.00000
      2      -0.4226      2.00000
      3       2.5029      2.00000
      4       3.7379      2.00000
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     10      16.9116      0.00000
     11      18.0013      0.00000
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     13      20.2077      0.00000
     14      22.6064      0.00000
     15      23.9597      0.00000
     16      24.7828      0.00000

 k-point   259 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.0696      2.00000
      2      -0.7493      2.00000
      3       2.2558      2.00000
      4       3.8296      2.00000
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     10      16.2915      0.00000
     11      18.3818      0.00000
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     13      22.0438      0.00000
     14      22.2044      0.00000
     15      23.5759      0.00000
     16      24.5478      0.00000

 k-point   260 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.5871      2.00000
      2      -0.0306      2.00000
      3       2.2195      2.00000
      4       4.1276      2.00000
      5       8.9933      0.00000
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     10      14.8203      0.00000
     11      18.5622      0.00000
     12      20.2090      0.00000
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     14      21.3625      0.00000
     15      23.8061      0.00000
     16      24.1535      0.00000

 k-point   261 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2654      2.00000
      2       0.9717      2.00000
      3       2.5808      2.00000
      4       4.5457      2.00000
      5       9.4565      0.00000
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     10      16.4952      0.00000
     11      18.1009      0.00000
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     13      19.6517      0.00000
     14      21.9228      0.00000
     15      22.4562      0.00000
     16      25.1087      0.00000

 k-point   262 :       0.4545    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.2304      2.00000
      2       0.9450      2.00000
      3       2.6029      2.00000
      4       4.5277      2.00000
      5       9.3710      0.00000
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     10      16.6934      0.00000
     11      18.2947      0.00000
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     13      19.7426      0.00000
     14      22.0918      0.00000
     15      22.4829      0.00000
     16      25.0807      0.00000

 k-point   263 :       0.5455    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5498      2.00000
      2      -0.0721      2.00000
      3       2.2497      2.00000
      4       4.1056      2.00000
      5       8.9369      0.00000
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      7      11.5490      0.00000
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     10      14.9892      0.00000
     11      18.6283      0.00000
     12      20.4717      0.00000
     13      20.8497      0.00000
     14      21.3490      0.00000
     15      23.6445      0.00000
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 k-point   264 :       0.6364    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.0540      2.00000
      2      -0.7563      2.00000
      3       2.2663      2.00000
      4       3.7980      2.00000
      5       8.5711      0.00000
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     10      16.2363      0.00000
     11      18.4542      0.00000
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     13      21.7687      0.00000
     14      22.5081      0.00000
     15      23.4972      0.00000
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 k-point   265 :       0.7273    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.3365      2.00000
      2      -0.3795      2.00000
      3       2.4883      2.00000
      4       3.6997      2.00000
      5       8.3593      0.00000
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     10      16.9850      0.00000
     11      17.9844      0.00000
     12      19.2541      0.00000
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     14      22.6314      0.00000
     15      24.2015      0.00000
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 k-point   266 :      -0.1818    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.0138      2.00000
      2       0.6572      2.00000
      3       2.8554      2.00000
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      5       8.2310      0.00000
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     10      16.7712      0.00000
     11      17.9981      0.00000
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     14      21.0044      0.00000
     15      22.5210      0.00000
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 k-point   267 :      -0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.6329      2.00000
      2       1.7569      2.00000
      3       3.4238      2.00000
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     10      16.1119      0.00000
     11      17.6493      0.00000
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     14      21.4298      0.00000
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 k-point   268 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.7464      2.00000
      2       2.1371      2.00000
      3       3.9632      2.00000
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      5       7.0373      0.00000
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     10      15.2620      0.00000
     11      18.1421      0.00000
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     14      20.2656      0.00000
     15      23.1948      0.00000
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 k-point   269 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6214      2.00000
      2       0.1359      2.00000
      3       1.9464      2.00000
      4       4.4779      2.00000
      5       8.2673      0.00000
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      7      11.6598      0.00000
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      9      12.7687      0.00000
     10      14.8985      0.00000
     11      19.2517      0.00000
     12      19.9545      0.00000
     13      20.5782      0.00000
     14      22.9922      0.00000
     15      23.3594      0.00000
     16      23.8436      0.00000

 k-point   270 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2      -0.6314      2.00000
      3       1.7914      2.00000
      4       4.0714      2.00000
      5       7.8091      0.00000
      6      11.9052      0.00000
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      8      12.9639      0.00000
      9      13.8147      0.00000
     10      14.0047      0.00000
     11      19.3818      0.00000
     12      21.2337      0.00000
     13      21.5181      0.00000
     14      22.2295      0.00000
     15      22.9935      0.00000
     16      24.2268      0.00000

 k-point   271 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.9499      2.00000
      2      -0.6896      2.00000
      3       2.0763      2.00000
      4       3.7923      2.00000
      5       7.5106      0.00000
      6      10.8512      0.00000
      7      12.2728      0.00000
      8      12.4499      0.00000
      9      15.5508      0.00000
     10      15.7586      0.00000
     11      19.2675      0.00000
     12      19.4464      0.00000
     13      20.0930      0.00000
     14      23.8715      0.00000
     15      23.9726      0.00000
     16      24.5275      0.00000

 k-point   272 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5699      2.00000
      2       0.1313      2.00000
      3       2.6484      2.00000
      4       3.6756      2.00000
      5       7.3725      0.00000
      6       9.3646      0.00000
      7      12.5506      0.00000
      8      12.6607      0.00000
      9      17.2138      0.00000
     10      17.3954      0.00000
     11      17.7770      0.00000
     12      18.1962      0.00000
     13      19.9458      0.00000
     14      21.8835      0.00000
     15      22.9692      0.00000
     16      24.7669      0.00000

 k-point   273 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.2319      2.00000
      2       1.1764      2.00000
      3       3.3873      2.00000
      4       3.7338      2.00000
      5       7.1820      0.00000
      6       8.5755      0.00000
      7      12.6915      0.00000
      8      12.7866      0.00000
      9      16.0140      0.00000
     10      16.2760      0.00000
     11      18.3464      0.00000
     12      19.4603      0.00000
     13      20.0165      0.00000
     14      20.9937      0.00000
     15      22.0120      0.00000
     16      22.9706      0.00000

 k-point   274 :       0.0000    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.2108      2.00000
      2       1.1452      2.00000
      3       3.4382      2.00000
      4       3.7218      2.00000
      5       7.1570      0.00000
      6       8.5180      0.00000
      7      12.5372      0.00000
      8      12.7555      0.00000
      9      16.0198      0.00000
     10      16.4050      0.00000
     11      18.3056      0.00000
     12      19.6328      0.00000
     13      20.0528      0.00000
     14      21.0650      0.00000
     15      22.1730      0.00000
     16      23.1745      0.00000

 k-point   275 :       0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.5972      2.00000
      2       1.7148      2.00000
      3       3.4707      2.00000
      4       4.2012      2.00000
      5       7.7837      0.00000
      6       9.3052      0.00000
      7      11.0534      0.00000
      8      12.1395      0.00000
      9      14.6107      0.00000
     10      16.3919      0.00000
     11      17.7707      0.00000
     12      18.6312      0.00000
     13      20.1736      0.00000
     14      21.6320      0.00000
     15      21.8074      0.00000
     16      23.9239      0.00000

 k-point   276 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.8541      2.00000
      2      -0.5989      2.00000
      3       1.6502      2.00000
      4       3.6312      2.00000
      5       8.4016      0.00000
      6      11.1787      0.00000
      7      11.9489      0.00000
      8      12.8404      0.00000
      9      13.7699      0.00000
     10      14.9784      0.00000
     11      20.3496      0.00000
     12      20.7514      0.00000
     13      21.0364      0.00000
     14      22.8687      0.00000
     15      22.9673      0.00000
     16      24.0350      0.00000

 k-point   277 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.4818      2.00000
      2      -0.9808      2.00000
      3       1.7452      2.00000
      4       3.3132      2.00000
      5       8.0147      0.00000
      6      10.7407      0.00000
      7      11.8599      0.00000
      8      13.5168      0.00000
      9      14.3809      0.00000
     10      16.1808      0.00000
     11      19.1932      0.00000
     12      20.6902      0.00000
     13      22.1190      0.00000
     14      22.3731      0.00000
     15      23.3611      0.00000
     16      24.5232      0.00000

 k-point   278 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4739      2.00000
      3       2.2731      2.00000
      4       3.2006      2.00000
      5       7.7883      0.00000
      6       9.1639      0.00000
      7      12.1666      0.00000
      8      14.4549      0.00000
      9      15.5056      0.00000
     10      17.2961      0.00000
     11      18.1449      0.00000
     12      20.2493      0.00000
     13      20.9090      0.00000
     14      21.4229      0.00000
     15      23.3649      0.00000
     16      23.8825      0.00000

 k-point   279 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.6425      2.00000
      2       0.3485      2.00000
      3       2.9589      2.00000
      4       3.3633      2.00000
      5       7.4548      0.00000
      6       8.2990      0.00000
      7      12.5277      0.00000
      8      13.9594      0.00000
      9      16.3472      0.00000
     10      17.4932      0.00000
     11      18.1535      0.00000
     12      19.4594      0.00000
     13      20.3591      0.00000
     14      21.0490      0.00000
     15      22.4793      0.00000
     16      23.1287      0.00000

 k-point   280 :       0.0000    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.5201      2.00000
      2       0.0757      2.00000
      3       2.6867      2.00000
      4       3.6573      2.00000
      5       7.3531      0.00000
      6       9.2903      0.00000
      7      12.3689      0.00000
      8      12.5833      0.00000
      9      17.2884      0.00000
     10      17.4326      0.00000
     11      17.9946      0.00000
     12      18.3403      0.00000
     13      19.9026      0.00000
     14      21.9695      0.00000
     15      23.0121      0.00000
     16      24.6280      0.00000

 k-point   281 :       0.0909    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.9507      2.00000
      2       0.5995      2.00000
      3       2.8729      2.00000
      4       3.8729      2.00000
      5       8.1478      0.00000
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      7      10.7164      0.00000
      8      12.5307      0.00000
      9      15.4305      0.00000
     10      17.0757      0.00000
     11      18.3795      0.00000
     12      18.7458      0.00000
     13      20.4435      0.00000
     14      21.0568      0.00000
     15      22.7565      0.00000
     16      24.5053      0.00000

 k-point   282 :       0.1818    0.4545    0.2727
  band No.  band energies     occupation 
      1      -4.1940      2.00000
      2       0.9188      2.00000
      3       2.6213      2.00000
      4       4.5145      2.00000
      5       9.3289      0.00000
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      8      11.8140      0.00000
      9      13.5931      0.00000
     10      16.8872      0.00000
     11      18.4975      0.00000
     12      18.6674      0.00000
     13      19.8340      0.00000
     14      22.2589      0.00000
     15      22.4967      0.00000
     16      25.1095      0.00000

 k-point   283 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.0420      2.00000
      2      -1.2943      2.00000
      3       1.8336      2.00000
      4       2.5542      2.00000
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      6      10.6810      0.00000
      7      11.5117      0.00000
      8      11.5454      0.00000
      9      15.8491      0.00000
     10      16.9752      0.00000
     11      19.0135      0.00000
     12      20.2512      0.00000
     13      21.8876      0.00000
     14      22.9500      0.00000
     15      24.4868      0.00000
     16      24.5706      0.00000

 k-point   284 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.2504      2.00000
      2      -1.1244      2.00000
      3       2.1248      2.00000
      4       2.5161      2.00000
      5       9.0566      0.00000
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      8      13.3585      0.00000
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     10      17.3274      0.00000
     11      18.6995      0.00000
     12      20.0752      0.00000
     13      21.8515      0.00000
     14      22.7090      0.00000
     15      23.2454      0.00000
     16      24.5269      0.00000

 k-point   285 :      -0.0909   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.9284      2.00000
      2      -0.5112      2.00000
      3       2.3204      2.00000
      4       3.1550      2.00000
      5       7.8084      0.00000
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      8      14.2296      0.00000
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     10      17.5520      0.00000
     11      18.4768      0.00000
     12      20.1130      0.00000
     13      20.6209      0.00000
     14      21.4053      0.00000
     15      23.3606      0.00000
     16      24.0430      0.00000

 k-point   286 :       0.0000   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.8700      2.00000
      2      -0.7630      2.00000
      3       2.0851      2.00000
      4       3.7735      2.00000
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      6      10.8012      0.00000
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      9      15.7088      0.00000
     10      15.9153      0.00000
     11      19.2314      0.00000
     12      19.4117      0.00000
     13      20.2511      0.00000
     14      23.8185      0.00000
     15      24.0089      0.00000
     16      24.4484      0.00000

 k-point   287 :       0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.2411      2.00000
      2      -0.4482      2.00000
      3       2.4643      2.00000
      4       3.7055      2.00000
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      9      15.4229      0.00000
     10      16.7842      0.00000
     11      17.9276      0.00000
     12      19.2311      0.00000
     13      20.3814      0.00000
     14      22.7402      0.00000
     15      24.1348      0.00000
     16      24.9214      0.00000

 k-point   288 :       0.1818    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.4837      2.00000
      2      -0.0958      2.00000
      3       2.2231      2.00000
      4       4.0760      2.00000
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      8      12.2589      0.00000
      9      14.5532      0.00000
     10      15.1935      0.00000
     11      18.6096      0.00000
     12      20.6768      0.00000
     13      20.8586      0.00000
     14      21.3761      0.00000
     15      23.8627      0.00000
     16      24.2236      0.00000

 k-point   289 :       0.2727    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.5676      2.00000
      2       0.1000      2.00000
      3       1.9564      2.00000
      4       4.4345      2.00000
      5       8.2142      0.00000
      6      11.2552      0.00000
      7      11.6173      0.00000
      8      12.5143      0.00000
      9      12.6905      0.00000
     10      15.1343      0.00000
     11      19.3060      0.00000
     12      19.9832      0.00000
     13      20.8203      0.00000
     14      23.0281      0.00000
     15      23.3037      0.00000
     16      24.0136      0.00000

 k-point   290 :      -0.0909   -0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.4307      2.00000
      2      -1.0367      2.00000
      3       1.7707      2.00000
      4       3.2835      2.00000
      5       8.0201      0.00000
      6      10.7230      0.00000
      7      11.8711      0.00000
      8      13.4614      0.00000
      9      14.1422      0.00000
     10      16.4945      0.00000
     11      19.5577      0.00000
     12      20.3667      0.00000
     13      21.7588      0.00000
     14      22.3649      0.00000
     15      23.6699      0.00000
     16      24.6285      0.00000

 k-point   291 :       0.0000   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9454      2.00000
      2      -0.6584      2.00000
      3       1.7786      2.00000
      4       4.0583      2.00000
      5       7.7926      0.00000
      6      11.8219      0.00000
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      8      12.8720      0.00000
      9      13.9226      0.00000
     10      14.1571      0.00000
     11      19.1832      0.00000
     12      21.3951      0.00000
     13      21.7262      0.00000
     14      22.3423      0.00000
     15      22.8841      0.00000
     16      24.0544      0.00000

 k-point   292 :       0.0909   -0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9694      2.00000
      2      -0.7969      2.00000
      3       2.2142      2.00000
      4       3.7923      2.00000
      5       8.5150      0.00000
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      7      12.3893      0.00000
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      9      13.5894      0.00000
     10      16.1763      0.00000
     11      18.3044      0.00000
     12      19.2709      0.00000
     13      22.2816      0.00000
     14      22.3442      0.00000
     15      23.7565      0.00000
     16      24.6406      0.00000

 k-point   293 :       0.1818    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9530      2.00000
      2      -0.8054      2.00000
      3       2.2229      2.00000
      4       3.7631      2.00000
      5       8.4662      0.00000
      6      10.0556      0.00000
      7      12.3517      0.00000
      8      13.0362      0.00000
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     10      16.1240      0.00000
     11      18.3749      0.00000
     12      19.3026      0.00000
     13      21.9677      0.00000
     14      22.6852      0.00000
     15      23.6754      0.00000
     16      24.7184      0.00000

 k-point   294 :       0.2727    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.8995      2.00000
      2      -0.6847      2.00000
      3       1.7823      2.00000
      4       4.0090      2.00000
      5       7.7388      0.00000
      6      11.8571      0.00000
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      8      13.0739      0.00000
      9      13.8520      0.00000
     10      13.9772      0.00000
     11      19.3190      0.00000
     12      21.3824      0.00000
     13      21.5536      0.00000
     14      22.3262      0.00000
     15      23.1398      0.00000
     16      24.1542      0.00000

 k-point   295 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.7860      2.00000
      2      -0.6487      2.00000
      3       1.6519      2.00000
      4       3.5930      2.00000
      5       8.3229      0.00000
      6      11.1477      0.00000
      7      11.8798      0.00000
      8      12.9897      0.00000
      9      13.7943      0.00000
     10      14.8595      0.00000
     11      20.4315      0.00000
     12      20.8526      0.00000
     13      20.9357      0.00000
     14      22.9383      0.00000
     15      23.1366      0.00000
     16      23.9790      0.00000

 k-point   296 :       0.0909   -0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5231      2.00000
      2      -0.0517      2.00000
      3       2.1947      2.00000
      4       4.0944      2.00000
      5       8.9065      0.00000
      6       9.8127      0.00000
      7      11.8206      0.00000
      8      12.3138      0.00000
      9      14.6152      0.00000
     10      14.9619      0.00000
     11      18.5470      0.00000
     12      20.3892      0.00000
     13      20.8228      0.00000
     14      21.4083      0.00000
     15      24.0629      0.00000
     16      24.2975      0.00000

 k-point   297 :       0.1818    0.7273    0.2727
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4030      2.00000
      3       2.4482      2.00000
      4       3.6681      2.00000
      5       8.2431      0.00000
      6      10.3360      0.00000
      7      11.3712      0.00000
      8      12.5083      0.00000
      9      15.1852      0.00000
     10      16.8582      0.00000
     11      17.9096      0.00000
     12      19.2323      0.00000
     13      20.0916      0.00000
     14      22.7722      0.00000
     15      24.3817      0.00000
     16      24.9047      0.00000

 k-point   298 :       0.2727    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.8706      2.00000
      2      -0.7310      2.00000
      3       2.0729      2.00000
      4       3.7177      2.00000
      5       7.4328      0.00000
      6      10.9695      0.00000
      7      12.2199      0.00000
      8      12.3114      0.00000
      9      15.6800      0.00000
     10      15.6867      0.00000
     11      19.3474      0.00000
     12      19.3641      0.00000
     13      20.0944      0.00000
     14      23.9555      0.00000
     15      24.0458      0.00000
     16      24.6534      0.00000

 k-point   299 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -1.0432      2.00000
      3       1.7585      2.00000
      4       3.2519      2.00000
      5       7.9294      0.00000
      6      10.8688      0.00000
      7      11.8629      0.00000
      8      13.4523      0.00000
      9      14.2300      0.00000
     10      16.2666      0.00000
     11      19.3588      0.00000
     12      20.5744      0.00000
     13      21.9251      0.00000
     14      22.3947      0.00000
     15      23.5714      0.00000
     16      24.6336      0.00000

 k-point   300 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -1.9687      2.00000
      2      -1.3593      2.00000
      3       1.8349      2.00000
      4       2.5374      2.00000
      5       9.2913      0.00000
      6      10.7576      0.00000
      7      11.4718      0.00000
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      9      15.8415      0.00000
     10      16.9108      0.00000
     11      18.9939      0.00000
     12      20.2815      0.00000
     13      21.9352      0.00000
     14      22.9663      0.00000
     15      24.5481      0.00000
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 k-point   301 :       0.1818   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6514      2.00000
      3       2.8400      2.00000
      4       3.8365      2.00000
      5       8.1303      0.00000
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      7      10.8099      0.00000
      8      12.5680      0.00000
      9      15.5117      0.00000
     10      16.9114      0.00000
     11      18.1490      0.00000
     12      18.7218      0.00000
     13      20.3890      0.00000
     14      21.0436      0.00000
     15      22.6666      0.00000
     16      24.4854      0.00000

 k-point   302 :       0.2727   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5344      2.00000
      2       0.1232      2.00000
      3       2.6726      2.00000
      4       3.5953      2.00000
      5       7.3029      0.00000
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     10      17.3691      0.00000
     11      17.9016      0.00000
     12      18.1872      0.00000
     13      19.9456      0.00000
     14      21.9664      0.00000
     15      22.9951      0.00000
     16      24.6944      0.00000

 k-point   303 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.9325      2.00000
      2      -0.4880      2.00000
      3       2.3082      2.00000
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     10      17.4150      0.00000
     11      18.2713      0.00000
     12      20.1600      0.00000
     13      20.8078      0.00000
     14      21.4575      0.00000
     15      23.3570      0.00000
     16      23.9590      0.00000

 k-point   304 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.2549      2.00000
      2      -1.1211      2.00000
      3       2.1242      2.00000
      4       2.5162      2.00000
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     10      17.3261      0.00000
     11      18.7010      0.00000
     12      20.0623      0.00000
     13      21.8539      0.00000
     14      22.7220      0.00000
     15      23.2353      0.00000
     16      24.5191      0.00000

 k-point   305 :      -0.4545   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.1146      2.00000
      2      -1.2311      2.00000
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      4       2.5700      2.00000
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     10      17.0170      0.00000
     11      19.0595      0.00000
     12      20.1711      0.00000
     13      21.8642      0.00000
     14      22.9267      0.00000
     15      24.4497      0.00000
     16      24.5406      0.00000

 k-point   306 :       0.2727   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2200      2.00000
      2       1.1718      2.00000
      3       3.4545      2.00000
      4       3.6544      2.00000
      5       7.1519      0.00000
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     10      16.3085      0.00000
     11      18.3377      0.00000
     12      19.5678      0.00000
     13      20.0150      0.00000
     14      21.0601      0.00000
     15      22.0234      0.00000
     16      23.1045      0.00000

 k-point   307 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6438      2.00000
      2       0.3471      2.00000
      3       2.9557      2.00000
      4       3.3675      2.00000
      5       7.4467      0.00000
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     10      17.4974      0.00000
     11      18.1576      0.00000
     12      19.4728      0.00000
     13      20.3925      0.00000
     14      21.0170      0.00000
     15      22.4692      0.00000
     16      23.1210      0.00000

 k-point   308 :      -0.5455   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4967      2.00000
      3       2.2847      2.00000
      4       3.2247      2.00000
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     10      17.4281      0.00000
     11      18.3567      0.00000
     12      20.2204      0.00000
     13      20.7221      0.00000
     14      21.3648      0.00000
     15      23.3564      0.00000
     16      23.9549      0.00000

 k-point   309 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.5158      2.00000
      2      -0.9740      2.00000
      3       1.7567      2.00000
      4       3.3451      2.00000
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     10      16.4056      0.00000
     11      19.3902      0.00000
     12      20.4847      0.00000
     13      21.9369      0.00000
     14      22.3476      0.00000
     15      23.4565      0.00000
     16      24.5324      0.00000

 k-point   310 :      -0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9207      2.00000
      2      -0.5528      2.00000
      3       1.6483      2.00000
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     10      15.0564      0.00000
     11      20.3339      0.00000
     12      20.8664      0.00000
     13      20.8762      0.00000
     14      22.6648      0.00000
     15      22.9097      0.00000
     16      24.1000      0.00000

 k-point   311 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7565      2.00000
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      3       3.3696      2.00000
      4       3.5271      2.00000
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     10      16.8303      0.00000
     11      19.3741      0.00000
     12      19.4258      0.00000
     13      19.8189      0.00000
     14      21.6592      0.00000
     15      21.9280      0.00000
     16      22.9761      0.00000

 k-point   312 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1245      2.00000
      2      -0.3468      2.00000
      3       2.8374      2.00000
      4       3.4202      2.00000
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     10      17.8344      0.00000
     11      17.9467      0.00000
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     13      20.8724      0.00000
     14      21.2915      0.00000
     15      21.9192      0.00000
     16      24.1736      0.00000

 k-point   313 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4578      2.00000
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     11      19.4858      0.00000
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     13      21.4636      0.00000
     14      21.5765      0.00000
     15      22.2776      0.00000
     16      24.3406      0.00000

 k-point   314 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4292      2.00000
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      3       1.5785      2.00000
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     11      21.0779      0.00000
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     14      21.8505      0.00000
     15      22.0685      0.00000
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 k-point   315 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6438      2.00000
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     14      21.0187      0.00000
     15      22.4693      0.00000
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 k-point   316 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9587      2.00000
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     10      17.4301      0.00000
     11      18.3594      0.00000
     12      20.2185      0.00000
     13      20.7230      0.00000
     14      21.3673      0.00000
     15      23.3552      0.00000
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 k-point   317 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.5158      2.00000
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      3       1.7567      2.00000
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     10      16.4081      0.00000
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     12      20.4857      0.00000
     13      21.9384      0.00000
     14      22.3463      0.00000
     15      23.4572      0.00000
     16      24.5302      0.00000

 k-point   318 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9206      2.00000
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     10      15.0585      0.00000
     11      20.3341      0.00000
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     13      20.8771      0.00000
     14      22.6647      0.00000
     15      22.9115      0.00000
     16      24.0977      0.00000

 k-point   319 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.3230      2.00000
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     15      23.0436      0.00000
     16      24.3470      0.00000

 k-point   320 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6957      2.00000
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      3       1.9075      2.00000
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     10      16.8883      0.00000
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     13      21.7090      0.00000
     14      22.7186      0.00000
     15      23.2151      0.00000
     16      24.7461      0.00000

 k-point   321 :       0.7273    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.7274      2.00000
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      3       1.9002      2.00000
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     10      16.9685      0.00000
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     13      21.7233      0.00000
     14      22.4898      0.00000
     15      23.2214      0.00000
     16      24.9749      0.00000

 k-point   322 :      -0.1818    0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.3687      2.00000
      2      -0.0119      2.00000
      3       2.1742      2.00000
      4       3.3792      2.00000
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     11      19.7516      0.00000
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     14      20.8393      0.00000
     15      23.0129      0.00000
     16      24.2304      0.00000

 k-point   323 :       0.6364    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.8550      2.00000
      2      -0.5983      2.00000
      3       1.6506      2.00000
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     13      20.9549      0.00000
     14      22.8810      0.00000
     15      22.9157      0.00000
     16      24.0314      0.00000

 k-point   324 :       0.7273    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.4968      2.00000
      2      -0.9702      2.00000
      3       1.7616      2.00000
      4       3.2945      2.00000
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     10      16.3428      0.00000
     11      19.4551      0.00000
     12      20.5931      0.00000
     13      21.7980      0.00000
     14      22.2375      0.00000
     15      23.4409      0.00000
     16      24.6965      0.00000

 k-point   325 :       0.8182    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9835      2.00000
      2      -0.4472      2.00000
      3       2.2922      2.00000
      4       3.1651      2.00000
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     10      17.4923      0.00000
     11      18.3214      0.00000
     12      19.9999      0.00000
     13      20.8214      0.00000
     14      21.4017      0.00000
     15      23.4197      0.00000
     16      23.9509      0.00000

 k-point   326 :      -0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.6664      2.00000
      2       0.3818      2.00000
      3       2.9519      2.00000
      4       3.3386      2.00000
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     10      17.3008      0.00000
     11      17.9796      0.00000
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     14      21.0676      0.00000
     15      22.4000      0.00000
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 k-point   327 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.7552      2.00000
      2       0.4885      2.00000
      3       3.4471      2.00000
      4       3.4476      2.00000
      5       6.6651      0.00000
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     11      19.3756      0.00000
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     13      19.8208      0.00000
     14      21.6604      0.00000
     15      21.9126      0.00000
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 k-point   328 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3528      2.00000
      2      -1.1140      2.00000
      3       1.5857      2.00000
      4       3.6666      2.00000
      5       7.3257      0.00000
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     10      14.3714      0.00000
     11      21.0796      0.00000
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     14      21.9599      0.00000
     15      22.1579      0.00000
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 k-point   329 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4539      2.00000
      2      -1.0436      2.00000
      3       2.0779      2.00000
      4       3.4192      2.00000
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     10      15.9746      0.00000
     11      19.4110      0.00000
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     13      21.6241      0.00000
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     15      22.3812      0.00000
     16      24.2482      0.00000

 k-point   330 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.1323      2.00000
      2      -0.3246      2.00000
      3       2.8779      2.00000
      4       3.3437      2.00000
      5       6.8739      0.00000
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      9      17.5410      0.00000
     10      17.7075      0.00000
     11      17.8981      0.00000
     12      18.3330      0.00000
     13      20.9506      0.00000
     14      21.3891      0.00000
     15      22.0609      0.00000
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 k-point   331 :       0.0000    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.1050      2.00000
      2      -0.3617      2.00000
      3       2.9092      2.00000
      4       3.3377      2.00000
      5       6.8691      0.00000
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     10      17.8995      0.00000
     11      18.0723      0.00000
     12      18.4552      0.00000
     13      20.8200      0.00000
     14      21.2366      0.00000
     15      21.8652      0.00000
     16      24.1168      0.00000

 k-point   332 :       0.0909    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.6185      2.00000
      2       0.3150      2.00000
      3       2.9700      2.00000
      4       3.3833      2.00000
      5       7.4315      0.00000
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     10      17.6855      0.00000
     11      18.3419      0.00000
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     13      20.4003      0.00000
     14      20.9633      0.00000
     15      22.5221      0.00000
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 k-point   333 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.9225      2.00000
      2      -1.5420      2.00000
      3       2.0772      2.00000
      4       2.9628      2.00000
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     10      16.5901      0.00000
     11      19.2451      0.00000
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     14      22.5491      0.00000
     15      22.9276      0.00000
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 k-point   334 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.4455      2.00000
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     10      17.5850      0.00000
     11      18.3082      0.00000
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     13      20.1220      0.00000
     14      21.6966      0.00000
     15      22.8155      0.00000
     16      24.3329      0.00000

 k-point   335 :       0.0000   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.3952      2.00000
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     10      16.1598      0.00000
     11      19.5275      0.00000
     12      20.2018      0.00000
     13      21.3778      0.00000
     14      21.5351      0.00000
     15      22.3024      0.00000
     16      24.5617      0.00000

 k-point   336 :       0.0909   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.9033      2.00000
      2      -0.5381      2.00000
      3       2.3010      2.00000
      4       3.1898      2.00000
      5       7.7776      0.00000
      6       9.1137      0.00000
      7      12.0326      0.00000
      8      14.3204      0.00000
      9      15.6974      0.00000
     10      17.3492      0.00000
     11      18.3052      0.00000
     12      20.3706      0.00000
     13      20.7339      0.00000
     14      21.4151      0.00000
     15      23.2750      0.00000
     16      23.9452      0.00000

 k-point   337 :       0.1818   -0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.2743      2.00000
      2      -0.1042      2.00000
      3       2.1855      2.00000
      4       3.3844      2.00000
      5       9.1170      0.00000
      6       9.7118      0.00000
      7      10.3300      0.00000
      8      13.7955      0.00000
      9      15.3762      0.00000
     10      15.6182      0.00000
     11      19.7522      0.00000
     12      20.4594      0.00000
     13      20.4634      0.00000
     14      20.9110      0.00000
     15      23.0612      0.00000
     16      24.4647      0.00000

 k-point   338 :       0.0909   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4171      2.00000
      2      -1.0458      2.00000
      3       1.7542      2.00000
      4       3.3010      2.00000
      5       8.0052      0.00000
      6      10.7144      0.00000
      7      11.7264      0.00000
      8      13.6768      0.00000
      9      14.2390      0.00000
     10      16.3296      0.00000
     11      19.2945      0.00000
     12      20.4722      0.00000
     13      22.0436      0.00000
     14      22.5192      0.00000
     15      23.5943      0.00000
     16      24.4576      0.00000

 k-point   339 :       0.1818   -0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.6065      2.00000
      2      -0.8277      2.00000
      3       1.8851      2.00000
      4       3.0454      2.00000
      5       9.4693      0.00000
      6       9.8091      0.00000
      7      11.1557      0.00000
      8      13.2978      0.00000
      9      14.2869      0.00000
     10      16.7947      0.00000
     11      18.8029      0.00000
     12      20.2460      0.00000
     13      21.8085      0.00000
     14      22.9383      0.00000
     15      23.2799      0.00000
     16      24.9018      0.00000

 k-point   340 :       0.2727    0.6364    0.3636
  band No.  band energies     occupation 
      1      -2.7858      2.00000
      2      -0.6486      2.00000
      3       1.6518      2.00000
      4       3.5934      2.00000
      5       8.3221      0.00000
      6      11.1457      0.00000
      7      11.8778      0.00000
      8      12.9899      0.00000
      9      13.7958      0.00000
     10      14.8617      0.00000
     11      20.4317      0.00000
     12      20.8547      0.00000
     13      20.9366      0.00000
     14      22.9399      0.00000
     15      23.1363      0.00000
     16      23.9768      0.00000

 k-point   341 :       0.1818    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2      -0.7876      2.00000
      3       1.8787      2.00000
      4       3.0430      2.00000
      5       9.4085      0.00000
      6       9.8757      0.00000
      7      11.3515      0.00000
      8      13.0958      0.00000
      9      14.2989      0.00000
     10      16.8736      0.00000
     11      18.7388      0.00000
     12      20.2503      0.00000
     13      21.8244      0.00000
     14      22.7057      0.00000
     15      23.2750      0.00000
     16      25.1431      0.00000

 k-point   342 :       0.2727    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -1.0431      2.00000
      3       1.7585      2.00000
      4       3.2522      2.00000
      5       7.9288      0.00000
      6      10.8683      0.00000
      7      11.8610      0.00000
      8      13.4502      0.00000
      9      14.2320      0.00000
     10      16.2691      0.00000
     11      19.3608      0.00000
     12      20.5753      0.00000
     13      21.9256      0.00000
     14      22.3942      0.00000
     15      23.5721      0.00000
     16      24.6317      0.00000

 k-point   343 :       0.3636    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.2733      2.00000
      2      -1.1689      2.00000
      3       1.5925      2.00000
      4       3.5997      2.00000
      5       7.2533      0.00000
      6      10.8316      0.00000
      7      13.3150      0.00000
      8      13.8961      0.00000
      9      14.1519      0.00000
     10      14.3167      0.00000
     11      21.1344      0.00000
     12      21.3438      0.00000
     13      21.7937      0.00000
     14      21.9411      0.00000
     15      22.0885      0.00000
     16      23.9239      0.00000

 k-point   344 :       0.2727    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.9325      2.00000
      2      -0.4879      2.00000
      3       2.3084      2.00000
      4       3.1320      2.00000
      5       7.7114      0.00000
      6       9.2676      0.00000
      7      12.1544      0.00000
      8      14.3248      0.00000
      9      15.4821      0.00000
     10      17.4170      0.00000
     11      18.2740      0.00000
     12      20.1581      0.00000
     13      20.8088      0.00000
     14      21.4600      0.00000
     15      23.3562      0.00000
     16      23.9597      0.00000

 k-point   345 :       0.3636    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.3983      2.00000
      2      -1.0864      2.00000
      3       2.1136      2.00000
      4       3.3419      2.00000
      5       6.9617      0.00000
      6       9.0592      0.00000
      7      14.0006      0.00000
      8      14.2043      0.00000
      9      15.9220      0.00000
     10      15.9589      0.00000
     11      19.5001      0.00000
     12      20.0618      0.00000
     13      21.6160      0.00000
     14      21.6272      0.00000
     15      22.4019      0.00000
     16      24.4625      0.00000

 k-point   346 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.8490      2.00000
      2      -1.6053      2.00000
      3       2.1046      2.00000
      4       2.9077      2.00000
      5       7.5621      0.00000
      6       9.0715      0.00000
      7      13.6256      0.00000
      8      13.8190      0.00000
      9      15.9202      0.00000
     10      16.5153      0.00000
     11      19.2484      0.00000
     12      20.1186      0.00000
     13      21.8167      0.00000
     14      22.6276      0.00000
     15      23.0280      0.00000
     16      23.3899      0.00000

 k-point   347 :       0.3636   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.1168      2.00000
      2      -0.3405      2.00000
      3       2.9510      2.00000
      4       3.2627      2.00000
      5       6.8163      0.00000
      6       7.7834      0.00000
      7      14.3156      0.00000
      8      14.3463      0.00000
      9      17.5874      0.00000
     10      17.8220      0.00000
     11      17.9752      0.00000
     12      18.3329      0.00000
     13      20.9339      0.00000
     14      21.3197      0.00000
     15      21.9960      0.00000
     16      23.9992      0.00000

 k-point   348 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0819      2.00000
      3       2.7413      2.00000
      4       2.9115      2.00000
      5       7.3424      0.00000
      6       7.6786      0.00000
      7      14.0889      0.00000
      8      15.6006      0.00000
      9      16.0412      0.00000
     10      17.5947      0.00000
     11      18.3042      0.00000
     12      19.8368      0.00000
     13      20.1307      0.00000
     14      21.7018      0.00000
     15      22.8294      0.00000
     16      24.3139      0.00000

 k-point   349 :      -0.4545   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -1.9957      2.00000
      2      -1.4823      2.00000
      3       2.0497      2.00000
      4       3.0183      2.00000
      5       7.7605      0.00000
      6       8.8047      0.00000
      7      13.6198      0.00000
      8      13.8940      0.00000
      9      15.9439      0.00000
     10      16.6146      0.00000
     11      19.2922      0.00000
     12      20.0192      0.00000
     13      21.8588      0.00000
     14      22.4892      0.00000
     15      22.9303      0.00000
     16      23.3406      0.00000

 k-point   350 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5260      2.00000
      2      -1.0875      2.00000
      3       3.1032      2.00000
      4       3.2658      2.00000
      5       6.5941      0.00000
      6       6.9599      0.00000
      7      15.7272      0.00000
      8      15.7730      0.00000
      9      17.7333      0.00000
     10      17.7768      0.00000
     11      17.8444      0.00000
     12      18.6453      0.00000
     13      19.6021      0.00000
     14      19.9759      0.00000
     15      24.0493      0.00000
     16      24.8306      0.00000

 k-point   351 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.9265      2.00000
      2      -1.6881      2.00000
      3       2.6628      2.00000
      4       3.2905      2.00000
      5       6.8808      0.00000
      6       7.2923      0.00000
      7      15.6762      0.00000
      8      16.0489      0.00000
      9      16.3396      0.00000
     10      16.4521      0.00000
     11      19.3130      0.00000
     12      19.4237      0.00000
     13      19.8689      0.00000
     14      20.2155      0.00000
     15      24.0492      0.00000
     16      24.4465      0.00000

 k-point   352 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0818      2.00000
      3       2.7414      2.00000
      4       2.9116      2.00000
      5       7.3421      0.00000
      6       7.6784      0.00000
      7      14.0864      0.00000
      8      15.6007      0.00000
      9      16.0410      0.00000
     10      17.5973      0.00000
     11      18.3067      0.00000
     12      19.8395      0.00000
     13      20.1285      0.00000
     14      21.6988      0.00000
     15      22.8300      0.00000
     16      24.3152      0.00000

 k-point   353 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -1.9957      2.00000
      2      -1.4823      2.00000
      3       2.0498      2.00000
      4       3.0186      2.00000
      5       7.7601      0.00000
      6       8.8043      0.00000
      7      13.6174      0.00000
      8      13.8914      0.00000
      9      15.9463      0.00000
     10      16.6173      0.00000
     11      19.2948      0.00000
     12      20.0219      0.00000
     13      21.8564      0.00000
     14      22.4864      0.00000
     15      22.9304      0.00000
     16      23.3415      0.00000

 k-point   354 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2      -1.1209      2.00000
      3       2.1245      2.00000
      4       2.5162      2.00000
      5       8.9974      0.00000
      6       9.3187      0.00000
      7      11.7467      0.00000
      8      13.3590      0.00000
      9      15.8429      0.00000
     10      17.3283      0.00000
     11      18.7037      0.00000
     12      20.0651      0.00000
     13      21.8550      0.00000
     14      22.7199      0.00000
     15      23.2357      0.00000
     16      24.5189      0.00000

 k-point   355 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.1144      2.00000
      2      -1.2309      2.00000
      3       1.8315      2.00000
      4       2.5703      2.00000
      5       9.5207      0.00000
      6      10.5905      0.00000
      7      11.4761      0.00000
      8      11.5558      0.00000
      9      15.8932      0.00000
     10      17.0194      0.00000
     11      19.0616      0.00000
     12      20.1734      0.00000
     13      21.8652      0.00000
     14      22.9286      0.00000
     15      24.4481      0.00000
     16      24.5411      0.00000

 k-point   356 :       0.7273    0.2727    0.4545
  band No.  band energies     occupation 
      1      -2.0472      2.00000
      2      -1.2888      2.00000
      3       1.8334      2.00000
      4       2.5533      2.00000
      5       9.4054      0.00000
      6      10.6742      0.00000
      7      11.3932      0.00000
      8      11.6729      0.00000
      9      15.8674      0.00000
     10      16.9659      0.00000
     11      19.0237      0.00000
     12      20.2312      0.00000
     13      21.9021      0.00000
     14      22.9502      0.00000
     15      24.4110      0.00000
     16      24.6051      0.00000

 k-point   357 :      -0.1818    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.3065      2.00000
      2      -1.0663      2.00000
      3       2.1322      2.00000
      4       2.5026      2.00000
      5       9.0627      0.00000
      6       9.2814      0.00000
      7      11.8980      0.00000
      8      13.1694      0.00000
      9      15.8707      0.00000
     10      17.3585      0.00000
     11      18.7328      0.00000
     12      20.0320      0.00000
     13      21.8528      0.00000
     14      22.5454      0.00000
     15      23.2497      0.00000
     16      24.5680      0.00000

 k-point   358 :       0.8182    0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.9273      2.00000
      2      -1.5369      2.00000
      3       2.0767      2.00000
      4       2.9626      2.00000
      5       7.6597      0.00000
      6       8.9368      0.00000
      7      13.5251      0.00000
      8      13.9495      0.00000
      9      15.9316      0.00000
     10      16.5649      0.00000
     11      19.2684      0.00000
     12      20.0679      0.00000
     13      21.7858      0.00000
     14      22.5980      0.00000
     15      22.9668      0.00000
     16      23.3988      0.00000

 k-point   359 :      -0.0909    0.3636   -0.5455
  band No.  band energies     occupation 
      1      -2.4752      2.00000
      2      -1.0492      2.00000
      3       2.7699      2.00000
      4       2.8693      2.00000
      5       7.3783      0.00000
      6       7.6611      0.00000
      7      14.2427      0.00000
      8      15.4514      0.00000
      9      16.0147      0.00000
     10      17.5987      0.00000
     11      18.3077      0.00000
     12      19.8420      0.00000
     13      19.9426      0.00000
     14      21.8771      0.00000
     15      22.9728      0.00000
     16      24.3638      0.00000

 k-point   360 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.5225      2.00000
      2      -1.0887      2.00000
      3       3.1837      2.00000
      4       3.1839      2.00000
      5       6.6138      0.00000
      6       6.9376      0.00000
      7      15.7345      0.00000
      8      15.7441      0.00000
      9      17.7355      0.00000
     10      17.7420      0.00000
     11      17.8570      0.00000
     12      18.6630      0.00000
     13      19.6089      0.00000
     14      19.9783      0.00000
     15      24.0152      0.00000
     16      24.9498      0.00000

 k-point   361 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.8617      2.00000
      2      -1.7457      2.00000
      3       2.7234      2.00000
      4       3.2098      2.00000
      5       6.7944      0.00000
      6       7.3964      0.00000
      7      15.6521      0.00000
      8      15.9918      0.00000
      9      16.3406      0.00000
     10      16.4705      0.00000
     11      19.2927      0.00000
     12      19.4289      0.00000
     13      19.8075      0.00000
     14      20.3290      0.00000
     15      24.0805      0.00000
     16      24.5218      0.00000

 k-point   362 :       0.0909   -0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.4156      2.00000
      2      -1.1177      2.00000
      3       2.7584      2.00000
      4       2.9054      2.00000
      5       7.3736      0.00000
      6       7.6232      0.00000
      7      13.9296      0.00000
      8      15.6947      0.00000
      9      16.1142      0.00000
     10      17.5854      0.00000
     11      18.2974      0.00000
     12      19.8547      0.00000
     13      20.3024      0.00000
     14      21.5149      0.00000
     15      22.7010      0.00000
     16      24.2570      0.00000

 k-point   363 :       0.1818   -0.3636    0.4545
  band No.  band energies     occupation 
      1      -2.1936      2.00000
      2      -1.1825      2.00000
      3       2.1175      2.00000
      4       2.5274      2.00000
      5       9.0523      0.00000
      6       9.2334      0.00000
      7      11.5957      0.00000
      8      13.5486      0.00000
      9      15.8129      0.00000
     10      17.2926      0.00000
     11      18.6768      0.00000
     12      20.0862      0.00000
     13      21.8414      0.00000
     14      22.9277      0.00000
     15      23.2103      0.00000
     16      24.4296      0.00000

 k-point   364 :       0.2727    0.7273    0.4545
  band No.  band energies     occupation 
      1      -1.9685      2.00000
      2      -1.3592      2.00000
      3       1.8349      2.00000
      4       2.5376      2.00000
      5       9.2905      0.00000
      6      10.7563      0.00000
      7      11.4697      0.00000
      8      11.6324      0.00000
      9      15.8437      0.00000
     10      16.9132      0.00000
     11      18.9960      0.00000
     12      20.2837      0.00000
     13      21.9362      0.00000
     14      22.9682      0.00000
     15      24.5457      0.00000
     16      24.5495      0.00000

 k-point   365 :       0.3636    0.8182    0.4545
  band No.  band energies     occupation 
      1      -1.8489      2.00000
      2      -1.6052      2.00000
      3       2.1047      2.00000
      4       2.9079      2.00000
      5       7.5617      0.00000
      6       9.0712      0.00000
      7      13.6232      0.00000
      8      13.8165      0.00000
      9      15.9227      0.00000
     10      16.5180      0.00000
     11      19.2510      0.00000
     12      20.1212      0.00000
     13      21.8141      0.00000
     14      22.6250      0.00000
     15      23.0282      0.00000
     16      23.3907      0.00000

 k-point   366 :       0.4545    0.9091    0.4545
  band No.  band energies     occupation 
      1      -1.8105      2.00000
      2      -1.7943      2.00000
      3       2.7853      2.00000
      4       3.1304      2.00000
      5       6.7106      0.00000
      6       7.5032      0.00000
      7      15.7077      0.00000
      8      15.9349      0.00000
      9      16.3425      0.00000
     10      16.4409      0.00000
     11      19.3628      0.00000
     12      19.4222      0.00000
     13      19.6953      0.00000
     14      20.4071      0.00000
     15      24.2399      0.00000
     16      24.4754      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001   0.000   0.000  -0.001  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.176   0.000  -0.000  -0.005  -0.000   0.000
  0.000  -0.000   0.000   4.176  -0.000  -0.000  -0.005   0.000
 -0.001  -0.000  -0.000  -0.000   4.176   0.000   0.000  -0.005
 -0.000   0.000  -0.005  -0.000   0.000   0.005   0.000  -0.000
 -0.000   0.000  -0.000  -0.005   0.000   0.000   0.005  -0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821   0.000  -0.000   0.004   0.000   0.000  -0.012
 -0.821   0.832   0.000   0.000  -0.012   0.000  -0.000   0.016
  0.000   0.000   1.047   0.011  -0.000  -0.590  -0.006   0.000
 -0.000   0.000   0.011   1.046  -0.000  -0.006  -0.589   0.000
  0.004  -0.012  -0.000  -0.000   1.046   0.000   0.000  -0.589
  0.000   0.000  -0.590  -0.006   0.000   0.391   0.004  -0.000
  0.000  -0.000  -0.006  -0.589   0.000   0.004   0.391   0.000
 -0.012   0.016   0.000   0.000  -0.589  -0.000   0.000   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0550: real time    0.0548
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0240: real time    0.0237
    STRESS:  cpu time    0.3729: real time    0.3729
    FORCOR:  cpu time    0.0040: real time    0.0039
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.76086   -76.73294   -76.78369     0.00000     1.29535     0.00000
  Hartree     4.88208     4.89349     4.88213     0.00000     0.31225     0.00000
  E(xc)     -25.50573   -25.50575   -25.50537    -0.00000    -0.01190    -0.00000
  Local     -28.92949   -28.97210   -28.90971     0.00001    -1.59270     0.00001
  n-local    78.31590    78.31802    78.30921    -0.16381     0.23163     1.40269
  augment   -11.66339   -11.66413   -11.66332    -0.00001    -0.02703    -0.00001
  Kinetic    57.25836    57.26630    57.26398    -0.02581     0.20305     1.74279
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.03769     1.04370     1.03405     0.00000     0.41066    -0.00000
  in kB      42.48404    42.73033    42.33515     0.00000    16.81274    -0.00000
  external pressure =       42.52 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000 -0.040420200     0.185550789  0.182767527 -0.185550789
     0.000000000  2.694680000  2.654259800    -0.185550789  0.188334051  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.182767527  0.185550789

  length of vectors
     3.811067357  3.782379593  3.810853002     0.319784552  0.322998305  0.319784552


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.157E+01 0.883E-07 0.704E-07   -.120E+01 0.284E-15 -.238E-14   -.533E+00 0.160E-17 -.317E-18   -.709E-03 0.120E-06 0.122E-06
   -.157E+01 -.883E-07 -.704E-07   0.120E+01 -.561E-15 0.205E-14   0.533E+00 0.208E-16 0.123E-17   0.709E-03 -.120E-06 -.122E-06
 -----------------------------------------------------------------------------------------------
   -.466E-14 0.344E-13 -.449E-13   0.000E+00 -.277E-15 -.332E-15   0.000E+00 0.224E-16 0.913E-18   0.168E-14 -.563E-15 0.615E-15
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.164701     -0.000000      0.000000
      1.34734      1.34734      1.32713         0.164701      0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82180401 eV

  energy  without entropy=      -10.82180401  energy(sigma->0) =      -10.82180401
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.3017038E-07 0.302E-07
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.2842171E-13 0.284E-13


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0056


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   5/  7
  Displacement:        2/  2
  Total:              10/ 14
  LATTYP: Found a base centered monoclinic cell.
 ALAT       =     5.3893600000
 B/A-ratio  =     1.0000000000
 C/A-ratio  =     2.5421558272
 COS(beta)  =    -0.6932948929
  
  Lattice vectors:
  
 A1 = (   2.6946800000,  -2.6946800000,   0.0000000000)
 A2 = (   2.6946800000,   2.6946800000,   0.0000000000)
 A3 = ( -13.4329798000,   0.0000000000,   2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  2 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
    3    -1.000000     0.000001     1.000000     0.000000     0.000000    -0.750000     1.250000    -0.750000
    4    -1.000000   180.000000    -0.000000    -1.000000     0.000000    -0.750000     1.250000    -0.750000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    366 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      4.000000
  0.181818 -0.000000 -0.000000      4.000000
  0.272727  0.000000  0.000000      4.000000
  0.363636 -0.000000 -0.000000      4.000000
  0.454545  0.000000 -0.000000      4.000000
  0.090909  0.090909  0.000000      2.000000
  0.181818  0.090909  0.000000      4.000000
  0.272727  0.090909  0.000000      4.000000
  0.363636  0.090909  0.000000      4.000000
  0.454545  0.090909  0.000000      4.000000
 -0.454545  0.090909 -0.000000      4.000000
 -0.363636  0.090909  0.000000      4.000000
 -0.272727  0.090909  0.000000      4.000000
 -0.181818  0.090909 -0.000000      4.000000
 -0.090909  0.090909  0.000000      2.000000
  0.181818  0.181818  0.000000      2.000000
  0.272727  0.181818 -0.000000      4.000000
  0.363636  0.181818  0.000000      4.000000
  0.454545  0.181818  0.000000      4.000000
 -0.454545  0.181818 -0.000000      4.000000
 -0.363636  0.181818 -0.000000      4.000000
 -0.272727  0.181818  0.000000      4.000000
 -0.181818  0.181818  0.000000      2.000000
  0.272727  0.272727 -0.000000      2.000000
  0.363636  0.272727 -0.000000      4.000000
  0.454545  0.272727 -0.000000      4.000000
 -0.454545  0.272727  0.000000      4.000000
 -0.363636  0.272727  0.000000      4.000000
 -0.272727  0.272727 -0.000000      2.000000
  0.363636  0.363636  0.000000      2.000000
  0.454545  0.363636  0.000000      4.000000
 -0.454545  0.363636  0.000000      4.000000
 -0.363636  0.363636  0.000000      2.000000
  0.454545  0.454545 -0.000000      2.000000
 -0.454545  0.454545 -0.000000      2.000000
  0.000000  0.000000  0.090909      4.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818 -0.000000  0.090909      4.000000
  0.272727 -0.000000  0.090909      4.000000
  0.363636 -0.000000  0.090909      4.000000
  0.454545  0.000000  0.090909      4.000000
 -0.454545  0.000000  0.090909      4.000000
 -0.363636 -0.000000  0.090909      4.000000
 -0.272727 -0.000000  0.090909      4.000000
 -0.181818  0.000000  0.090909      4.000000
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  0.000000  0.090909  0.090909      2.000000
  0.181818  0.090909  0.090909      4.000000
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  0.181818  0.181818  0.090909      4.000000
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  0.181818  0.272727  0.090909      4.000000
  0.272727  0.272727  0.090909      4.000000
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 -0.181818  0.272727  0.090909      2.000000
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 -0.272727  0.363636  0.090909      2.000000
  0.181818  0.454545  0.090909      4.000000
  0.272727  0.454545  0.090909      4.000000
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 -0.454545  0.454545  0.090909      4.000000
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  0.181818 -0.454545  0.090909      4.000000
  0.272727 -0.454545  0.090909      4.000000
  0.363636 -0.454545  0.090909      4.000000
  0.454545 -0.454545  0.090909      4.000000
 -0.454545 -0.454545  0.090909      2.000000
  0.181818 -0.363636  0.090909      4.000000
  0.272727 -0.363636  0.090909      4.000000
  0.363636 -0.363636  0.090909      4.000000
  0.454545 -0.363636  0.090909      2.000000
  0.181818 -0.272727  0.090909      4.000000
  0.272727 -0.272727  0.090909      4.000000
  0.363636 -0.272727  0.090909      2.000000
  0.181818 -0.181818  0.090909      4.000000
  0.272727 -0.181818  0.090909      2.000000
  0.181818 -0.090909  0.090909      2.000000
  0.000000  0.000000  0.181818      4.000000
  0.090909  0.000000  0.181818      4.000000
  0.181818  0.000000  0.181818      2.000000
  0.272727  0.000000  0.181818      4.000000
  0.363636 -0.000000  0.181818      4.000000
  0.454545  0.000000  0.181818      4.000000
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 -0.363636  0.000000  0.181818      4.000000
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  0.000000  0.090909  0.181818      4.000000
  0.090909  0.090909  0.181818      2.000000
  0.272727  0.090909  0.181818      4.000000
  0.363636  0.090909  0.181818      4.000000
  0.454545  0.090909  0.181818      4.000000
 -0.454545  0.090909  0.181818      4.000000
 -0.363636  0.090909  0.181818      4.000000
 -0.272727  0.090909  0.181818      4.000000
 -0.181818  0.090909  0.181818      4.000000
 -0.090909  0.090909  0.181818      4.000000
  0.000000  0.181818  0.181818      2.000000
  0.272727  0.181818  0.181818      4.000000
  0.363636  0.181818  0.181818      4.000000
  0.454545  0.181818  0.181818      4.000000
 -0.454545  0.181818  0.181818      4.000000
 -0.363636  0.181818  0.181818      4.000000
 -0.272727  0.181818  0.181818      4.000000
 -0.181818  0.181818  0.181818      4.000000
 -0.090909  0.181818  0.181818      4.000000
  0.272727  0.272727  0.181818      4.000000
  0.363636  0.272727  0.181818      4.000000
  0.454545  0.272727  0.181818      4.000000
 -0.454545  0.272727  0.181818      4.000000
 -0.363636  0.272727  0.181818      4.000000
 -0.272727  0.272727  0.181818      4.000000
 -0.181818  0.272727  0.181818      4.000000
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  0.363636  0.363636  0.181818      4.000000
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 -0.181818  0.363636  0.272727      4.000000
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 -0.454545  0.454545  0.272727      4.000000
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  0.454545 -0.363636  0.272727      4.000000
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 -0.363636 -0.363636  0.272727      2.000000
  0.363636 -0.272727  0.272727      4.000000
  0.454545 -0.272727  0.272727      4.000000
 -0.454545 -0.272727  0.272727      2.000000
  0.363636 -0.181818  0.272727      4.000000
  0.454545 -0.181818  0.272727      2.000000
  0.363636 -0.090909  0.272727      2.000000
  0.000000  0.000000  0.363636      4.000000
  0.090909 -0.000000  0.363636      4.000000
  0.181818  0.000000  0.363636      4.000000
  0.272727 -0.000000  0.363636      4.000000
  0.363636  0.000000  0.363636      2.000000
  0.454545  0.000000  0.363636      4.000000
 -0.454545 -0.000000  0.363636      4.000000
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 -0.272727 -0.000000  0.363636      4.000000
 -0.181818  0.000000  0.363636      4.000000
 -0.090909 -0.000000  0.363636      4.000000
  0.000000  0.090909  0.363636      4.000000
  0.090909  0.090909  0.363636      4.000000
  0.181818  0.090909  0.363636      4.000000
  0.272727  0.090909  0.363636      2.000000
  0.454545  0.090909  0.363636      4.000000
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 -0.016868 -0.118078  0.152067      4.000000
 -0.000000 -0.101210  0.134946      4.000000
  0.016868 -0.084341  0.117825      4.000000
  0.033737 -0.067473  0.100703      4.000000
  0.033737 -0.033737  0.100703      4.000000
  0.050605 -0.016868  0.083582      4.000000
  0.067473  0.000000  0.066461      2.000000
  0.118078  0.050605  0.015097      4.000000
 -0.050605 -0.118078  0.186310      4.000000
 -0.033737 -0.101210  0.169189      4.000000
 -0.016868 -0.084341  0.152067      4.000000
  0.000000 -0.067473  0.134946      4.000000
  0.016868 -0.050605  0.117825      4.000000
  0.016868 -0.016868  0.117825      4.000000
  0.033737  0.000000  0.100703      2.000000
  0.101210  0.067473  0.032218      4.000000
 -0.067473 -0.101210  0.203431      4.000000
 -0.050605 -0.084341  0.186310      4.000000
 -0.033737 -0.067473  0.169189      4.000000
 -0.016868 -0.050605  0.152067      4.000000
 -0.000000 -0.033737  0.134946      4.000000
 -0.000000  0.000000  0.134946      2.000000
  0.084341  0.084341  0.049340      4.000000
 -0.084341 -0.084341  0.220552      4.000000
 -0.067473 -0.067473  0.203431      4.000000
 -0.050605 -0.050605  0.186310      4.000000
 -0.033737 -0.033737  0.169189      4.000000
 -0.016868 -0.016868  0.152067      4.000000
  0.067473  0.101210  0.066461      4.000000
 -0.101210 -0.067473  0.237674      4.000000
 -0.084341 -0.050605  0.220552      4.000000
 -0.067473 -0.033737  0.203431      4.000000
 -0.050605 -0.016868  0.186310      4.000000
 -0.033737  0.000000  0.169189      2.000000
  0.236156 -0.067473 -0.104752      4.000000
  0.067473 -0.236156  0.066461      4.000000
  0.084341 -0.219287  0.049340      4.000000
  0.101210 -0.202419  0.032218      4.000000
  0.118078 -0.185551  0.015097      2.000000
  0.219287 -0.050605 -0.087631      4.000000
  0.050605 -0.219287  0.083582      4.000000
  0.067473 -0.202419  0.066461      4.000000
  0.084341 -0.185551  0.049340      2.000000
  0.202419 -0.033737 -0.070509      4.000000
  0.033737 -0.202419  0.100703      4.000000
  0.050605 -0.185551  0.083582      2.000000
  0.185551 -0.016868 -0.053388      4.000000
  0.016868 -0.185551  0.117825      2.000000
  0.168683  0.000000 -0.036267      2.000000
  0.084341 -0.084341  0.083076      4.000000
  0.101210 -0.067473  0.065955      4.000000
  0.118078 -0.050605  0.048834      4.000000
  0.134946 -0.033737  0.031712      4.000000
  0.151814 -0.016868  0.014591      4.000000
  0.168683 -0.000000 -0.002530      2.000000
 -0.000000 -0.168683  0.168683      4.000000
  0.016868 -0.151814  0.151561      4.000000
  0.033737 -0.134946  0.134440      4.000000
  0.050605 -0.118078  0.117319      4.000000
  0.067473 -0.101210  0.100197      4.000000
  0.067473 -0.067473  0.100197      4.000000
  0.084341 -0.050605  0.083076      4.000000
  0.101210 -0.033737  0.065955      4.000000
  0.118078 -0.016868  0.048834      4.000000
  0.134946  0.000000  0.031712      2.000000
 -0.016868 -0.151814  0.185804      4.000000
  0.000000 -0.134946  0.168683      4.000000
  0.016868 -0.118078  0.151561      4.000000
  0.033737 -0.101210  0.134440      4.000000
  0.050605 -0.084341  0.117319      4.000000
  0.050605 -0.050605  0.117319      4.000000
  0.067473 -0.033737  0.100197      4.000000
  0.084341 -0.016868  0.083076      4.000000
  0.101210  0.000000  0.065955      2.000000
 -0.033737 -0.134946  0.202925      4.000000
 -0.016868 -0.118078  0.185804      4.000000
 -0.000000 -0.101210  0.168683      4.000000
  0.016868 -0.084341  0.151561      4.000000
  0.033737 -0.067473  0.134440      4.000000
  0.033737 -0.033737  0.134440      4.000000
  0.050605 -0.016868  0.117319      4.000000
  0.067473  0.000000  0.100197      2.000000
 -0.050605 -0.118078  0.220046      4.000000
 -0.033737 -0.101210  0.202925      4.000000
 -0.016868 -0.084341  0.185804      4.000000
  0.000000 -0.067473  0.168683      4.000000
  0.016868 -0.050605  0.151561      4.000000
  0.016868 -0.016868  0.151561      4.000000
  0.033737 -0.000000  0.134440      2.000000
 -0.067473 -0.101210  0.237168      4.000000
 -0.050605 -0.084341  0.220046      4.000000
 -0.033737 -0.067473  0.202925      4.000000
 -0.016868 -0.050605  0.185804      4.000000
  0.000000 -0.033737  0.168683      4.000000
 -0.000000  0.000000  0.168683      2.000000
 -0.084341 -0.084341  0.254289      4.000000
 -0.067473 -0.067473  0.237168      4.000000
 -0.050605 -0.050605  0.220046      4.000000
 -0.033737 -0.033737  0.202925      4.000000
 -0.016868 -0.016868  0.185804      4.000000
  0.084341 -0.253024  0.083076      4.000000
  0.101210 -0.236156  0.065955      4.000000
  0.118078 -0.219287  0.048834      4.000000
  0.134946 -0.202419  0.031712      4.000000
  0.151814 -0.185551  0.014591      2.000000
  0.067473 -0.236156  0.100197      4.000000
  0.084341 -0.219287  0.083076      4.000000
  0.101210 -0.202419  0.065955      4.000000
  0.118078 -0.185551  0.048834      2.000000
  0.050605 -0.219287  0.117319      4.000000
  0.067473 -0.202419  0.100197      4.000000
  0.084341 -0.185551  0.083076      2.000000
  0.033737 -0.202419  0.134440      4.000000
  0.050605 -0.185551  0.117319      2.000000
  0.016868 -0.185551  0.151561      2.000000
 
    WAVPRE:  cpu time    0.2600: real time    0.2765
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0590: real time    0.0589
    ORTHCH:  cpu time    0.3259: real time    0.3261
     LOOP+:  cpu time    9.5066: real time    9.5323


--------------------------------------- Iteration     12(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0065
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.5929: real time    0.5934
  RMM-DIIS:  cpu time    0.4459: real time    0.4456
    ORTHCH:  cpu time    0.3160: real time    0.3168
       DOS:  cpu time    0.0030: real time    0.0030
    CHARGE:  cpu time    0.0570: real time    0.0562
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4208: real time    1.4229

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) :-0.7792696E-02  (-0.7702531E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596422 magnetization 

 Broyden mixing:
  rms(total) = 0.27195E-01    rms(broyden)= 0.27194E-01
  rms(prec ) = 0.10592E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65366724
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85678286
  PAW double counting   =        75.11719423      -40.17622187
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.44516348
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82959591 eV

  energy without entropy =      -10.82959591  energy(sigma->0) =      -10.82959591


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0044
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5909: real time    0.5909
  RMM-DIIS:  cpu time    0.4159: real time    0.4155
    ORTHCH:  cpu time    0.3140: real time    0.3139
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0540: real time    0.0546
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3828: real time    1.3837

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.4974320E-02  (-0.8393564E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596220 magnetization 

 Broyden mixing:
  rms(total) = 0.15198E-01    rms(broyden)= 0.15197E-01
  rms(prec ) = 0.59332E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1414
  2.1414

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65433607
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85684453
  PAW double counting   =        75.11933294      -40.17841701
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45092475
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82462159 eV

  energy without entropy =      -10.82462159  energy(sigma->0) =      -10.82462159


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0044
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5909: real time    0.5907
  RMM-DIIS:  cpu time    0.4149: real time    0.4148
    ORTHCH:  cpu time    0.3140: real time    0.3144
       DOS:  cpu time    0.0030: real time    0.0032
    CHARGE:  cpu time    0.0550: real time    0.0546
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3838: real time    1.3836

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.2587491E-02  (-0.1412263E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595897 magnetization 

 Broyden mixing:
  rms(total) = 0.34816E-02    rms(broyden)= 0.34814E-02
  rms(prec ) = 0.13775E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4655
  2.0856  2.8455

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65848451
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85657321
  PAW double counting   =        75.12084639      -40.17998045
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45743934
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82203410 eV

  energy without entropy =      -10.82203410  energy(sigma->0) =      -10.82203410


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0044
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.5899: real time    0.5900
  RMM-DIIS:  cpu time    0.4149: real time    0.4156
    ORTHCH:  cpu time    0.3140: real time    0.3141
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0550: real time    0.0546
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.3828: real time    1.3830

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.2286521E-03  (-0.1896430E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595853 magnetization 

 Broyden mixing:
  rms(total) = 0.63292E-03    rms(broyden)= 0.63290E-03
  rms(prec ) = 0.21939E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8752
  2.8605  1.9858  0.7793

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65753563
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85661562
  PAW double counting   =        75.11707798      -40.17609477
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45664424
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180545 eV

  energy without entropy =      -10.82180545  energy(sigma->0) =      -10.82180545


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.5869: real time    0.5876
  RMM-DIIS:  cpu time    0.4149: real time    0.4144
    ORTHCH:  cpu time    0.3140: real time    0.3142
       DOS:  cpu time    0.0030: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    1.3248: real time    1.3248

 eigenvalue-minimisations  : 11613
 total energy-change (2. order) : 0.9035300E-06  (-0.5363766E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595853 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65774068
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660172
  PAW double counting   =        75.11730889      -40.17633469
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45684531
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180454 eV

  energy without entropy =      -10.82180454  energy(sigma->0) =      -10.82180454


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9890       2 -82.9890
 
 
 
 E-fermi :   6.1186     XC(G=0):  -9.4992     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0570      2.00000
      2       6.0424      2.00000
      3       6.0594      2.00000
      4       6.0812      2.00000
      5       8.5214      0.00000
      6       8.6149      0.00000
      7       8.7552      0.00000
      8       9.7234      0.00000
      9      13.8044      0.00000
     10      13.8068      0.00000
     11      14.1156      0.00000
     12      17.3682      0.00000
     13      17.3942      0.00000
     14      17.4249      0.00000
     15      21.6176      0.00000
     16      29.4650      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9451      2.00000
      2       5.1070      2.00000
      3       5.8642      2.00000
      4       5.8878      2.00000
      5       8.6700      0.00000
      6       8.7841      0.00000
      7       8.9578      0.00000
      8      10.4909      0.00000
      9      13.4630      0.00000
     10      13.4806      0.00000
     11      14.5928      0.00000
     12      17.0339      0.00000
     13      18.0702      0.00000
     14      18.0872      0.00000
     15      22.3518      0.00000
     16      28.3470      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6134      2.00000
      2       3.4120      2.00000
      3       5.5089      2.00000
      4       5.5266      2.00000
      5       8.3796      0.00000
      6       9.2826      0.00000
      7       9.4344      0.00000
      8      12.0325      0.00000
      9      13.0677      0.00000
     10      13.1232      0.00000
     11      15.3034      0.00000
     12      16.9754      0.00000
     13      19.6204      0.00000
     14      19.6333      0.00000
     15      23.9188      0.00000
     16      26.0389      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0776      2.00000
      2       1.7137      2.00000
      3       5.1779      2.00000
      4       5.1862      2.00000
      5       8.0298      0.00000
      6       9.5298      0.00000
      7       9.6697      0.00000
      8      13.3505      0.00000
      9      13.3925      0.00000
     10      13.5875      0.00000
     11      15.0531      0.00000
     12      18.6884      0.00000
     13      21.2391      0.00000
     14      21.2412      0.00000
     15      23.6945      0.00000
     16      23.8645      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.3872      2.00000
      2       0.2112      2.00000
      3       4.9432      2.00000
      4       4.9439      2.00000
      5       7.7655      0.00000
      6       9.4453      0.00000
      7       9.5785      0.00000
      8      13.9720      0.00000
      9      14.4401      0.00000
     10      14.5696      0.00000
     11      15.7938      0.00000
     12      20.2156      0.00000
     13      20.3153      0.00000
     14      20.5701      0.00000
     15      23.0072      0.00000
     16      24.6049      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.7371      2.00000
      2      -0.8532      2.00000
      3       4.8196      2.00000
      4       4.8256      2.00000
      5       7.6282      0.00000
      6       9.3201      0.00000
      7       9.4530      0.00000
      8      13.8008      0.00000
      9      16.0120      0.00000
     10      16.1558      0.00000
     11      17.2514      0.00000
     12      18.1627      0.00000
     13      18.3444      0.00000
     14      19.8528      0.00000
     15      24.7499      0.00000
     16      26.9850      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2745      2.00000
      3       5.5106      2.00000
      4       5.5945      2.00000
      5       8.3049      0.00000
      6       9.2377      0.00000
      7       9.4177      0.00000
      8      10.4058      0.00000
      9      12.9240      0.00000
     10      13.9673      0.00000
     11      14.7339      0.00000
     12      17.6201      0.00000
     13      17.6827      0.00000
     14      18.0163      0.00000
     15      22.6411      0.00000
     16      27.8697      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6524      2.00000
      2       3.9312      2.00000
      3       5.0950      2.00000
      4       5.3328      2.00000
      5       8.3459      0.00000
      6       9.5265      0.00000
      7       9.8607      0.00000
      8      11.1798      0.00000
      9      12.7749      0.00000
     10      13.8992      0.00000
     11      15.5746      0.00000
     12      17.2571      0.00000
     13      18.5109      0.00000
     14      19.4745      0.00000
     15      23.9970      0.00000
     16      25.7455      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1842      2.00000
      2       2.2820      2.00000
      3       4.7681      2.00000
      4       4.9258      2.00000
      5       8.4681      0.00000
      6       9.5118      0.00000
      7      10.2200      0.00000
      8      11.5060      0.00000
      9      13.9643      0.00000
     10      14.0662      0.00000
     11      15.6980      0.00000
     12      18.1378      0.00000
     13      20.0590      0.00000
     14      21.3094      0.00000
     15      23.3285      0.00000
     16      23.9414      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5373      2.00000
      2       0.7284      2.00000
      3       4.5314      2.00000
      4       4.5821      2.00000
      5       8.3214      0.00000
      6       9.4662      0.00000
      7      10.1259      0.00000
      8      12.3583      0.00000
      9      14.9910      0.00000
     10      14.9958      0.00000
     11      15.8082      0.00000
     12      19.8463      0.00000
     13      19.9333      0.00000
     14      21.5104      0.00000
     15      23.1414      0.00000
     16      23.7531      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
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      2      -0.5189      2.00000
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     10      16.4331      0.00000
     11      17.3203      0.00000
     12      17.9497      0.00000
     13      18.8980      0.00000
     14      21.5364      0.00000
     15      23.9079      0.00000
     16      25.3649      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
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      2      -0.9571      2.00000
      3       4.0619      2.00000
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      5       8.1561      0.00000
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     10      15.7288      0.00000
     11      17.2128      0.00000
     12      18.5182      0.00000
     13      19.0345      0.00000
     14      20.1573      0.00000
     15      25.3462      0.00000
     16      26.5174      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0441      2.00000
      2      -0.1752      2.00000
      3       4.0375      2.00000
      4       4.9028      2.00000
      5       8.2587      0.00000
      6       9.5741      0.00000
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     10      15.3352      0.00000
     11      17.7198      0.00000
     12      18.3520      0.00000
     13      20.5755      0.00000
     14      20.9865      0.00000
     15      23.0917      0.00000
     16      24.5250      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7581      2.00000
      2       1.1980      2.00000
      3       4.1750      2.00000
      4       5.2415      2.00000
      5       8.4767      0.00000
      6       9.5213      0.00000
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     10      15.4824      0.00000
     11      16.0083      0.00000
     12      19.2157      0.00000
     13      20.5157      0.00000
     14      22.3006      0.00000
     15      22.3417      0.00000
     16      24.0034      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3544      2.00000
      2       2.7888      2.00000
      3       4.4916      2.00000
      4       5.6202      2.00000
      5       8.7744      0.00000
      6       9.2446      0.00000
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      9      12.3577      0.00000
     10      14.4841      0.00000
     11      15.8756      0.00000
     12      17.5772      0.00000
     13      19.3504      0.00000
     14      21.2351      0.00000
     15      23.7342      0.00000
     16      24.7695      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7577      2.00000
      2       4.2881      2.00000
      3       5.0747      2.00000
      4       5.9032      2.00000
      5       8.8278      0.00000
      6       8.9892      0.00000
      7       9.1430      0.00000
      8      11.3575      0.00000
      9      12.7255      0.00000
     10      13.6887      0.00000
     11      15.2816      0.00000
     12      17.2361      0.00000
     13      17.9816      0.00000
     14      19.4600      0.00000
     15      23.3967      0.00000
     16      26.2433      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4701      2.00000
      2       3.7747      2.00000
      3       4.6391      2.00000
      4       4.7636      2.00000
      5       7.6462      0.00000
      6      10.2595      0.00000
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      8      10.7676      0.00000
      9      13.0303      0.00000
     10      14.4548      0.00000
     11      16.2423      0.00000
     12      18.3593      0.00000
     13      18.4345      0.00000
     14      19.0091      0.00000
     15      25.1478      0.00000
     16      25.4113      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0730      2.00000
      2       2.6160      2.00000
      3       4.2847      2.00000
      4       4.2961      2.00000
      5       7.7028      0.00000
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      7      11.0401      0.00000
      8      11.2584      0.00000
      9      14.2943      0.00000
     10      14.7659      0.00000
     11      17.0136      0.00000
     12      18.3752      0.00000
     13      19.3132      0.00000
     14      20.6677      0.00000
     15      23.3014      0.00000
     16      23.8149      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4825      2.00000
      2       1.2167      2.00000
      3       3.7205      2.00000
      4       4.0861      2.00000
      5       7.9050      0.00000
      6      10.2556      0.00000
      7      10.8305      0.00000
      8      11.3202      0.00000
      9      15.5919      0.00000
     10      16.0054      0.00000
     11      16.7046      0.00000
     12      19.5986      0.00000
     13      19.6937      0.00000
     14      21.3944      0.00000
     15      22.2286      0.00000
     16      23.6413      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.7691      2.00000
      2      -0.0708      2.00000
      3       3.2282      2.00000
      4       4.0597      2.00000
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      6      10.5736      0.00000
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      9      16.0654      0.00000
     10      16.9239      0.00000
     11      17.7899      0.00000
     12      17.8837      0.00000
     13      19.0609      0.00000
     14      22.5372      0.00000
     15      24.0169      0.00000
     16      24.5819      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.2397      2.00000
      2      -0.8401      2.00000
      3       2.8915      2.00000
      4       4.2034      2.00000
      5       8.0263      0.00000
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      9      15.2182      0.00000
     10      15.6179      0.00000
     11      17.7034      0.00000
     12      18.9567      0.00000
     13      19.8172      0.00000
     14      22.3485      0.00000
     15      25.1555      0.00000
     16      25.4402      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.5326      2.00000
      2      -0.4258      2.00000
      3       2.7454      2.00000
      4       4.4998      2.00000
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     10      15.0549      0.00000
     11      17.6008      0.00000
     12      20.3667      0.00000
     13      20.9968      0.00000
     14      21.4163      0.00000
     15      22.7711      0.00000
     16      25.2648      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2408      2.00000
      2       0.7314      2.00000
      3       2.8402      2.00000
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     10      16.4498      0.00000
     11      18.3215      0.00000
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     13      20.2346      0.00000
     14      22.3797      0.00000
     15      22.9525      0.00000
     16      23.9561      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.8863      2.00000
      2       1.9587      2.00000
      3       3.3453      2.00000
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     10      16.4108      0.00000
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     13      20.1067      0.00000
     14      21.5030      0.00000
     15      22.8900      0.00000
     16      24.9300      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7470      2.00000
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      3       3.8917      2.00000
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     10      15.2658      0.00000
     11      18.1447      0.00000
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     13      19.4751      0.00000
     14      20.2505      0.00000
     15      23.2501      0.00000
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 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     10      16.3084      0.00000
     11      18.3377      0.00000
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     13      20.0153      0.00000
     14      21.0599      0.00000
     15      22.0237      0.00000
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 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5343      2.00000
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     10      17.3688      0.00000
     11      17.9014      0.00000
     12      18.1870      0.00000
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     14      21.9666      0.00000
     15      22.9953      0.00000
     16      24.6948      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.8705      2.00000
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      3       2.0732      2.00000
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     10      15.6866      0.00000
     11      19.3472      0.00000
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     13      20.0942      0.00000
     14      23.9558      0.00000
     15      24.0460      0.00000
     16      24.6376      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.8995      2.00000
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      3       1.7826      2.00000
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     10      13.9773      0.00000
     11      19.3188      0.00000
     12      21.3823      0.00000
     13      21.5534      0.00000
     14      22.3260      0.00000
     15      23.1397      0.00000
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 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5676      2.00000
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     10      15.1343      0.00000
     11      19.3061      0.00000
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     13      20.8202      0.00000
     14      23.0279      0.00000
     15      23.3041      0.00000
     16      24.0142      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.7565      2.00000
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      3       3.3696      2.00000
      4       3.5272      2.00000
      5       6.6609      0.00000
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     10      16.8303      0.00000
     11      19.3743      0.00000
     12      19.4256      0.00000
     13      19.8191      0.00000
     14      21.6591      0.00000
     15      21.9277      0.00000
     16      22.8631      0.00000

 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.1168      2.00000
      2      -0.3406      2.00000
      3       2.9512      2.00000
      4       3.2627      2.00000
      5       6.8162      0.00000
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      9      17.5872      0.00000
     10      17.8221      0.00000
     11      17.9750      0.00000
     12      18.3328      0.00000
     13      20.9339      0.00000
     14      21.3197      0.00000
     15      21.9959      0.00000
     16      23.9986      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.3982      2.00000
      2      -1.0865      2.00000
      3       2.1138      2.00000
      4       3.3418      2.00000
      5       6.9616      0.00000
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     10      15.9590      0.00000
     11      19.4999      0.00000
     12      20.0617      0.00000
     13      21.6158      0.00000
     14      21.6273      0.00000
     15      22.4021      0.00000
     16      24.4629      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -2.2733      2.00000
      2      -1.1690      2.00000
      3       1.5926      2.00000
      4       3.5997      2.00000
      5       7.2532      0.00000
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     10      14.3168      0.00000
     11      21.1344      0.00000
     12      21.3438      0.00000
     13      21.7938      0.00000
     14      21.9406      0.00000
     15      22.0883      0.00000
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 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.5261      2.00000
      2      -1.0875      2.00000
      3       3.1032      2.00000
      4       3.2659      2.00000
      5       6.5940      0.00000
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      7      15.7273      0.00000
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     10      17.7767      0.00000
     11      17.8443      0.00000
     12      18.6453      0.00000
     13      19.6021      0.00000
     14      19.9760      0.00000
     15      24.0499      0.00000
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 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -1.8106      2.00000
      2      -1.7942      2.00000
      3       2.7854      2.00000
      4       3.1304      2.00000
      5       6.7105      0.00000
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     10      16.4409      0.00000
     11      19.3628      0.00000
     12      19.4220      0.00000
     13      19.6952      0.00000
     14      20.4072      0.00000
     15      24.2401      0.00000
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 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0278      2.00000
      3       4.1814      2.00000
      4       5.2263      2.00000
      5       8.4031      0.00000
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     10      14.5855      0.00000
     11      16.4310      0.00000
     12      17.6576      0.00000
     13      18.8574      0.00000
     14      20.8134      0.00000
     15      23.4207      0.00000
     16      25.1176      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7149      2.00000
      3       3.5689      2.00000
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      5       8.6884      0.00000
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     10      16.0937      0.00000
     11      16.5255      0.00000
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     13      20.1318      0.00000
     14      21.5495      0.00000
     15      22.2742      0.00000
     16      24.2974      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1121      2.00000
      2       0.3286      2.00000
      3       3.3093      2.00000
      4       4.5178      2.00000
      5       8.7126      0.00000
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     10      15.9394      0.00000
     11      17.8440      0.00000
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     13      20.4812      0.00000
     14      21.6212      0.00000
     15      23.2189      0.00000
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4539      2.00000
      2      -0.7105      2.00000
      3       3.2211      2.00000
      4       4.3024      2.00000
      5       8.7049      0.00000
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     10      15.9629      0.00000
     11      17.3607      0.00000
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     14      21.9535      0.00000
     15      24.1516      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7333      2.00000
      3       3.4477      2.00000
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     10      16.2460      0.00000
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     13      20.0461      0.00000
     14      21.5277      0.00000
     15      21.6198      0.00000
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9759      2.00000
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     11      18.1508      0.00000
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     14      21.0418      0.00000
     15      22.6660      0.00000
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.2636      2.00000
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      3       2.4483      2.00000
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     10      16.8568      0.00000
     11      17.9073      0.00000
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     14      22.7703      0.00000
     15      24.3829      0.00000
     16      24.9041      0.00000

 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9530      2.00000
      2      -0.8057      2.00000
      3       2.2232      2.00000
      4       3.7628      2.00000
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      6      10.0574      0.00000
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      9      13.4630      0.00000
     10      16.1219      0.00000
     11      18.3738      0.00000
     12      19.3004      0.00000
     13      21.9696      0.00000
     14      22.6851      0.00000
     15      23.6747      0.00000
     16      24.7180      0.00000

 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.4838      2.00000
      2      -0.0960      2.00000
      3       2.2234      2.00000
      4       4.0756      2.00000
      5       8.8536      0.00000
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      7      11.6044      0.00000
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      9      14.5514      0.00000
     10      15.1937      0.00000
     11      18.6089      0.00000
     12      20.6768      0.00000
     13      20.8570      0.00000
     14      21.3749      0.00000
     15      23.8640      0.00000
     16      24.2241      0.00000

 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1942      2.00000
      2       0.9186      2.00000
      3       2.6216      2.00000
      4       4.5141      2.00000
      5       9.3297      0.00000
      6       9.4284      0.00000
      7      10.6640      0.00000
      8      11.8125      0.00000
      9      13.5922      0.00000
     10      16.8871      0.00000
     11      18.4975      0.00000
     12      18.6674      0.00000
     13      19.8333      0.00000
     14      22.2590      0.00000
     15      22.4951      0.00000
     16      25.1106      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6438      2.00000
      2       0.3471      2.00000
      3       2.9556      2.00000
      4       3.3676      2.00000
      5       7.4467      0.00000
      6       8.3102      0.00000
      7      12.5334      0.00000
      8      13.9653      0.00000
      9      16.3366      0.00000
     10      17.4974      0.00000
     11      18.1576      0.00000
     12      19.4728      0.00000
     13      20.3927      0.00000
     14      21.0171      0.00000
     15      22.4694      0.00000
     16      23.1210      0.00000

 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9324      2.00000
      2      -0.4881      2.00000
      3       2.3085      2.00000
      4       3.1318      2.00000
      5       7.7117      0.00000
      6       9.2680      0.00000
      7      12.1567      0.00000
      8      14.3227      0.00000
      9      15.4846      0.00000
     10      17.4148      0.00000
     11      18.2712      0.00000
     12      20.1599      0.00000
     13      20.8076      0.00000
     14      21.4577      0.00000
     15      23.3572      0.00000
     16      23.9592      0.00000

 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -1.0434      2.00000
      3       1.7588      2.00000
      4       3.2518      2.00000
      5       7.9293      0.00000
      6      10.8689      0.00000
      7      11.8629      0.00000
      8      13.4524      0.00000
      9      14.2303      0.00000
     10      16.2665      0.00000
     11      19.3586      0.00000
     12      20.5741      0.00000
     13      21.9252      0.00000
     14      22.3948      0.00000
     15      23.5711      0.00000
     16      24.6314      0.00000

 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.7860      2.00000
      2      -0.6488      2.00000
      3       1.6521      2.00000
      4       3.5929      2.00000
      5       8.3228      0.00000
      6      11.1476      0.00000
      7      11.8800      0.00000
      8      12.9898      0.00000
      9      13.7943      0.00000
     10      14.8597      0.00000
     11      20.4315      0.00000
     12      20.8525      0.00000
     13      20.9352      0.00000
     14      22.9382      0.00000
     15      23.1365      0.00000
     16      23.9790      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0818      2.00000
      3       2.7412      2.00000
      4       2.9116      2.00000
      5       7.3423      0.00000
      6       7.6787      0.00000
      7      14.0889      0.00000
      8      15.6006      0.00000
      9      16.0413      0.00000
     10      17.5947      0.00000
     11      18.3042      0.00000
     12      19.8368      0.00000
     13      20.1308      0.00000
     14      21.7018      0.00000
     15      22.8295      0.00000
     16      24.3139      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.8489      2.00000
      2      -1.6054      2.00000
      3       2.1048      2.00000
      4       2.9076      2.00000
      5       7.5620      0.00000
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      7      13.6255      0.00000
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      9      15.9202      0.00000
     10      16.5154      0.00000
     11      19.2484      0.00000
     12      20.1185      0.00000
     13      21.8167      0.00000
     14      22.6277      0.00000
     15      23.0282      0.00000
     16      23.3895      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0579      2.00000
      3       2.1808      2.00000
      4       3.3809      2.00000
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      7      10.4543      0.00000
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      9      15.1513      0.00000
     10      15.7242      0.00000
     11      19.7500      0.00000
     12      20.2988      0.00000
     13      20.4469      0.00000
     14      20.8650      0.00000
     15      23.0412      0.00000
     16      24.3479      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6423      2.00000
      2      -0.7881      2.00000
      3       1.8787      2.00000
      4       3.0430      2.00000
      5       9.4092      0.00000
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      7      11.3523      0.00000
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      9      14.2972      0.00000
     10      16.8719      0.00000
     11      18.7361      0.00000
     12      20.2481      0.00000
     13      21.8222      0.00000
     14      22.7075      0.00000
     15      23.2738      0.00000
     16      25.1403      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.2549      2.00000
      2      -1.1211      2.00000
      3       2.1242      2.00000
      4       2.5162      2.00000
      5       8.9979      0.00000
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      7      11.7489      0.00000
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      9      15.8406      0.00000
     10      17.3261      0.00000
     11      18.7010      0.00000
     12      20.0623      0.00000
     13      21.8540      0.00000
     14      22.7221      0.00000
     15      23.2354      0.00000
     16      24.5190      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -1.9687      2.00000
      2      -1.3594      2.00000
      3       1.8351      2.00000
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     10      16.9109      0.00000
     11      18.9939      0.00000
     12      20.2814      0.00000
     13      21.9353      0.00000
     14      22.9659      0.00000
     15      24.5487      0.00000
     16      24.5494      0.00000

 k-point    57 :      -0.0000   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9481      2.00000
      2       5.0378      2.00000
      3       5.8890      2.00000
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     10      13.5083      0.00000
     11      14.5613      0.00000
     12      17.0100      0.00000
     13      18.0563      0.00000
     14      18.0774      0.00000
     15      22.3191      0.00000
     16      28.0383      0.00000

 k-point    58 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2771      2.00000
      3       5.5504      2.00000
      4       5.5534      2.00000
      5       8.3038      0.00000
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     10      13.9650      0.00000
     11      14.7321      0.00000
     12      17.6493      0.00000
     13      17.6503      0.00000
     14      18.0187      0.00000
     15      22.6433      0.00000
     16      27.8774      0.00000

 k-point    59 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6494      2.00000
      2       3.9128      2.00000
      3       5.1334      2.00000
      4       5.3533      2.00000
      5       8.3254      0.00000
      6       9.3395      0.00000
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     10      13.9011      0.00000
     11      15.5782      0.00000
     12      17.2535      0.00000
     13      18.5479      0.00000
     14      19.4802      0.00000
     15      24.0227      0.00000
     16      25.8742      0.00000

 k-point    60 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1784      2.00000
      2       2.2577      2.00000
      3       4.8000      2.00000
      4       4.9697      2.00000
      5       8.4822      0.00000
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     10      14.1680      0.00000
     11      15.6763      0.00000
     12      18.1813      0.00000
     13      20.0852      0.00000
     14      21.3307      0.00000
     15      23.4592      0.00000
     16      24.1394      0.00000

 k-point    61 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5295      2.00000
      2       0.7059      2.00000
      3       4.5683      2.00000
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      5       8.3357      0.00000
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     10      15.0899      0.00000
     11      15.9421      0.00000
     12      19.9012      0.00000
     13      20.0879      0.00000
     14      21.5367      0.00000
     15      23.2000      0.00000
     16      23.6552      0.00000

 k-point    62 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.8222      2.00000
      2      -0.5346      2.00000
      3       4.2529      2.00000
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      5       8.1977      0.00000
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     10      16.5200      0.00000
     11      17.4921      0.00000
     12      18.0907      0.00000
     13      19.0288      0.00000
     14      21.2337      0.00000
     15      23.9075      0.00000
     16      25.3689      0.00000

 k-point    63 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.5341      2.00000
      2      -0.9553      2.00000
      3       4.0587      2.00000
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     10      15.8632      0.00000
     11      17.2676      0.00000
     12      18.5984      0.00000
     13      18.9436      0.00000
     14      20.1098      0.00000
     15      25.3614      0.00000
     16      26.5464      0.00000

 k-point    64 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.0559      2.00000
      2      -0.1597      2.00000
      3       4.0099      2.00000
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      5       8.2894      0.00000
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     10      15.3243      0.00000
     11      17.4201      0.00000
     12      18.1360      0.00000
     13      20.6553      0.00000
     14      21.1455      0.00000
     15      23.1214      0.00000
     16      24.5657      0.00000

 k-point    65 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2186      2.00000
      3       4.1248      2.00000
      4       5.2410      2.00000
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     10      15.4430      0.00000
     11      15.7680      0.00000
     12      19.1370      0.00000
     13      20.4208      0.00000
     14      22.2357      0.00000
     15      22.3245      0.00000
     16      24.1270      0.00000

 k-point    66 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3632      2.00000
      2       2.8086      2.00000
      3       4.4268      2.00000
      4       5.6234      2.00000
      5       8.8165      0.00000
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     10      14.3375      0.00000
     11      15.8440      0.00000
     12      17.5430      0.00000
     13      19.3531      0.00000
     14      21.1688      0.00000
     15      23.4137      0.00000
     16      24.7645      0.00000

 k-point    67 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7637      2.00000
      2       4.2682      2.00000
      3       5.0420      2.00000
      4       5.9173      2.00000
      5       8.8744      0.00000
      6       9.1193      0.00000
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      8      11.2657      0.00000
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     10      13.6785      0.00000
     11      15.2371      0.00000
     12      17.2280      0.00000
     13      17.9569      0.00000
     14      19.4166      0.00000
     15      23.3441      0.00000
     16      25.9120      0.00000

 k-point    68 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2763      2.00000
      3       5.5506      2.00000
      4       5.5541      2.00000
      5       8.3043      0.00000
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      8      10.4209      0.00000
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     10      13.9665      0.00000
     11      14.7319      0.00000
     12      17.6492      0.00000
     13      17.6533      0.00000
     14      18.0172      0.00000
     15      22.6418      0.00000
     16      27.8148      0.00000

 k-point    69 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7636      2.00000
      2       4.2686      2.00000
      3       5.0413      2.00000
      4       5.9174      2.00000
      5       8.8743      0.00000
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      8      11.2657      0.00000
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     10      13.6787      0.00000
     11      15.2371      0.00000
     12      17.2275      0.00000
     13      17.9541      0.00000
     14      19.4186      0.00000
     15      23.3451      0.00000
     16      25.9151      0.00000

 k-point    70 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3632      2.00000
      2       2.8087      2.00000
      3       4.4264      2.00000
      4       5.6237      2.00000
      5       8.8167      0.00000
      6       9.3631      0.00000
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      8      12.0640      0.00000
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     10      14.3387      0.00000
     11      15.8432      0.00000
     12      17.5423      0.00000
     13      19.3510      0.00000
     14      21.1708      0.00000
     15      23.4164      0.00000
     16      24.7659      0.00000

 k-point    71 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7692      2.00000
      2       1.2186      2.00000
      3       4.1243      2.00000
      4       5.2414      2.00000
      5       8.5167      0.00000
      6       9.6249      0.00000
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      8      12.8306      0.00000
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     10      15.4420      0.00000
     11      15.7696      0.00000
     12      19.1367      0.00000
     13      20.4219      0.00000
     14      22.2347      0.00000
     15      22.3243      0.00000
     16      24.1366      0.00000

 k-point    72 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.0558      2.00000
      2      -0.1598      2.00000
      3       4.0094      2.00000
      4       4.9043      2.00000
      5       8.2899      0.00000
      6       9.5284      0.00000
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      8      13.9137      0.00000
      9      14.1764      0.00000
     10      15.3238      0.00000
     11      17.4219      0.00000
     12      18.1377      0.00000
     13      20.6532      0.00000
     14      21.1451      0.00000
     15      23.1200      0.00000
     16      24.5643      0.00000

 k-point    73 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5341      2.00000
      2      -0.9553      2.00000
      3       4.0582      2.00000
      4       4.6687      2.00000
      5       8.1791      0.00000
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      8      14.1503      0.00000
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     10      15.8626      0.00000
     11      17.2675      0.00000
     12      18.5967      0.00000
     13      18.9446      0.00000
     14      20.1100      0.00000
     15      25.3599      0.00000
     16      26.5461      0.00000

 k-point    74 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.8223      2.00000
      2      -0.5345      2.00000
      3       4.2524      2.00000
      4       4.5638      2.00000
      5       8.1983      0.00000
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     10      16.5187      0.00000
     11      17.4909      0.00000
     12      18.0897      0.00000
     13      19.0287      0.00000
     14      21.2357      0.00000
     15      23.9078      0.00000
     16      25.3711      0.00000

 k-point    75 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.5296      2.00000
      2       0.7060      2.00000
      3       4.5681      2.00000
      4       4.6070      2.00000
      5       8.3362      0.00000
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     10      15.0893      0.00000
     11      15.9415      0.00000
     12      19.9005      0.00000
     13      20.0876      0.00000
     14      21.5365      0.00000
     15      23.2014      0.00000
     16      23.6562      0.00000

 k-point    76 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.1785      2.00000
      2       2.2576      2.00000
      3       4.8003      2.00000
      4       4.9696      2.00000
      5       8.4827      0.00000
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      8      11.4014      0.00000
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     10      14.1682      0.00000
     11      15.6765      0.00000
     12      18.1813      0.00000
     13      20.0865      0.00000
     14      21.3302      0.00000
     15      23.4576      0.00000
     16      24.1388      0.00000

 k-point    77 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6495      2.00000
      2       3.9125      2.00000
      3       5.1337      2.00000
      4       5.3535      2.00000
      5       8.3260      0.00000
      6       9.3395      0.00000
      7       9.9437      0.00000
      8      11.1932      0.00000
      9      12.8049      0.00000
     10      13.9022      0.00000
     11      15.5780      0.00000
     12      17.2542      0.00000
     13      18.5493      0.00000
     14      19.4799      0.00000
     15      24.0206      0.00000
     16      25.8840      0.00000

 k-point    78 :       0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.6556      2.00000
      2       3.8468      2.00000
      3       5.1976      2.00000
      4       5.3588      2.00000
      5       8.3487      0.00000
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      7      10.0052      0.00000
      8      11.1446      0.00000
      9      12.7996      0.00000
     10      13.9451      0.00000
     11      15.5462      0.00000
     12      17.2360      0.00000
     13      18.5283      0.00000
     14      19.4145      0.00000
     15      23.9781      0.00000
     16      25.7433      0.00000

 k-point    79 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4407      2.00000
      2      -0.7299      2.00000
      3       3.2379      2.00000
      4       4.3059      2.00000
      5       8.7118      0.00000
      6       9.1542      0.00000
      7      10.7954      0.00000
      8      13.2860      0.00000
      9      15.0516      0.00000
     10      15.9691      0.00000
     11      17.3830      0.00000
     12      18.7910      0.00000
     13      20.0622      0.00000
     14      21.6365      0.00000
     15      24.1163      0.00000
     16      25.9589      0.00000

 k-point    80 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.0917      2.00000
      2       0.2906      2.00000
      3       3.3555      2.00000
      4       4.5285      2.00000
      5       8.7199      0.00000
      6       9.3840      0.00000
      7      10.8668      0.00000
      8      11.7702      0.00000
      9      14.6895      0.00000
     10      16.0341      0.00000
     11      18.1233      0.00000
     12      18.3316      0.00000
     13      20.5279      0.00000
     14      21.6160      0.00000
     15      23.1852      0.00000
     16      24.1447      0.00000

 k-point    81 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7817      2.00000
      2       1.6760      2.00000
      3       3.6314      2.00000
      4       4.8892      2.00000
      5       8.6722      0.00000
      6       9.6269      0.00000
      7      10.7503      0.00000
      8      10.9297      0.00000
      9      13.6014      0.00000
     10      16.3015      0.00000
     11      16.5579      0.00000
     12      18.5881      0.00000
     13      20.2368      0.00000
     14      21.7583      0.00000
     15      22.3333      0.00000
     16      24.3456      0.00000

 k-point    82 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3170      2.00000
      2       3.0307      2.00000
      3       4.2139      2.00000
      4       5.2203      2.00000
      5       8.3485      0.00000
      6       9.6825      0.00000
      7      10.4480      0.00000
      8      10.8524      0.00000
      9      13.1750      0.00000
     10      14.6639      0.00000
     11      16.4766      0.00000
     12      17.6505      0.00000
     13      18.9292      0.00000
     14      20.9099      0.00000
     15      23.7152      0.00000
     16      25.1213      0.00000

 k-point    83 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0282      2.00000
      3       4.1819      2.00000
      4       5.2255      2.00000
      5       8.4030      0.00000
      6       9.7937      0.00000
      7      10.5004      0.00000
      8      10.8596      0.00000
      9      13.2037      0.00000
     10      14.5846      0.00000
     11      16.4316      0.00000
     12      17.6584      0.00000
     13      18.8593      0.00000
     14      20.8111      0.00000
     15      23.4182      0.00000
     16      25.1190      0.00000

 k-point    84 :       0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.0765      2.00000
      2       2.5561      2.00000
      3       4.2699      2.00000
      4       4.4177      2.00000
      5       7.6953      0.00000
      6       9.7696      0.00000
      7      10.9686      0.00000
      8      11.3428      0.00000
      9      14.3218      0.00000
     10      14.8073      0.00000
     11      16.9795      0.00000
     12      18.3729      0.00000
     13      19.3370      0.00000
     14      20.5880      0.00000
     15      23.3298      0.00000
     16      23.8745      0.00000

 k-point    85 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7991      2.00000
      2       1.7155      2.00000
      3       3.5693      2.00000
      4       4.8758      2.00000
      5       8.6881      0.00000
      6       9.7402      0.00000
      7      10.8370      0.00000
      8      11.0015      0.00000
      9      13.6672      0.00000
     10      16.0925      0.00000
     11      16.5267      0.00000
     12      18.5451      0.00000
     13      20.1315      0.00000
     14      21.5489      0.00000
     15      22.2743      0.00000
     16      24.2981      0.00000

 k-point    86 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7337      2.00000
      3       3.4480      2.00000
      4       4.1897      2.00000
      5       7.8249      0.00000
      6       9.3674      0.00000
      7      11.1291      0.00000
      8      12.1859      0.00000
      9      14.6874      0.00000
     10      16.2445      0.00000
     11      17.7174      0.00000
     12      18.6682      0.00000
     13      20.0461      0.00000
     14      21.5278      0.00000
     15      21.6192      0.00000
     16      23.8918      0.00000

 k-point    87 :       0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.2245      2.00000
      2       1.1457      2.00000
      3       3.3719      2.00000
      4       3.8037      2.00000
      5       7.1827      0.00000
      6       8.5118      0.00000
      7      12.6140      0.00000
      8      12.7867      0.00000
      9      16.0490      0.00000
     10      16.3259      0.00000
     11      18.3316      0.00000
     12      19.5370      0.00000
     13      20.0491      0.00000
     14      21.0200      0.00000
     15      22.1347      0.00000
     16      23.0334      0.00000

 k-point    88 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1122      2.00000
      2       0.3292      2.00000
      3       3.3098      2.00000
      4       4.5171      2.00000
      5       8.7119      0.00000
      6       9.4402      0.00000
      7      10.9043      0.00000
      8      11.9796      0.00000
      9      14.7540      0.00000
     10      15.9400      0.00000
     11      17.8428      0.00000
     12      18.1605      0.00000
     13      20.4833      0.00000
     14      21.6226      0.00000
     15      23.2202      0.00000
     16      24.3647      0.00000

 k-point    89 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6516      2.00000
      3       2.8401      2.00000
      4       3.8363      2.00000
      5       8.1303      0.00000
      6       9.8747      0.00000
      7      10.8096      0.00000
      8      12.5681      0.00000
      9      15.5116      0.00000
     10      16.9116      0.00000
     11      18.1493      0.00000
     12      18.7217      0.00000
     13      20.3892      0.00000
     14      21.0436      0.00000
     15      22.6667      0.00000
     16      24.4818      0.00000

 k-point    90 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6438      2.00000
      2       0.3473      2.00000
      3       2.9559      2.00000
      4       3.3673      2.00000
      5       7.4466      0.00000
      6       8.3100      0.00000
      7      12.5309      0.00000
      8      13.9675      0.00000
      9      16.3385      0.00000
     10      17.4953      0.00000
     11      18.1557      0.00000
     12      19.4748      0.00000
     13      20.3941      0.00000
     14      21.0188      0.00000
     15      22.4692      0.00000
     16      23.1219      0.00000

 k-point    91 :       0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.1246      2.00000
      2      -0.3467      2.00000
      3       2.8373      2.00000
      4       3.4203      2.00000
      5       6.9191      0.00000
      6       7.6381      0.00000
      7      14.3210      0.00000
      8      14.3750      0.00000
      9      17.5916      0.00000
     10      17.8343      0.00000
     11      17.9469      0.00000
     12      18.4252      0.00000
     13      20.8725      0.00000
     14      21.2914      0.00000
     15      21.9195      0.00000
     16      24.1721      0.00000

 k-point    92 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.4541      2.00000
      2      -0.7100      2.00000
      3       3.2215      2.00000
      4       4.3019      2.00000
      5       8.7037      0.00000
      6       9.1747      0.00000
      7      10.8094      0.00000
      8      13.5277      0.00000
      9      14.8610      0.00000
     10      15.9634      0.00000
     11      17.3623      0.00000
     12      18.7329      0.00000
     13      19.7757      0.00000
     14      21.9538      0.00000
     15      24.1539      0.00000
     16      25.9462      0.00000

 k-point    93 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.2637      2.00000
      2      -0.4028      2.00000
      3       2.4483      2.00000
      4       3.6679      2.00000
      5       8.2430      0.00000
      6      10.3359      0.00000
      7      11.3712      0.00000
      8      12.5084      0.00000
      9      15.1854      0.00000
     10      16.8581      0.00000
     11      17.9097      0.00000
     12      19.2320      0.00000
     13      20.0919      0.00000
     14      22.7724      0.00000
     15      24.3835      0.00000
     16      24.9055      0.00000

 k-point    94 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9326      2.00000
      2      -0.4878      2.00000
      3       2.3085      2.00000
      4       3.1319      2.00000
      5       7.7114      0.00000
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      7      12.1542      0.00000
      8      14.3248      0.00000
      9      15.4823      0.00000
     10      17.4169      0.00000
     11      18.2741      0.00000
     12      20.1583      0.00000
     13      20.8086      0.00000
     14      21.4600      0.00000
     15      23.3563      0.00000
     16      23.9597      0.00000

 k-point    95 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4494      2.00000
      2      -1.0817      2.00000
      3       2.7413      2.00000
      4       2.9116      2.00000
      5       7.3422      0.00000
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      9      16.0411      0.00000
     10      17.5973      0.00000
     11      18.3068      0.00000
     12      19.8395      0.00000
     13      20.1288      0.00000
     14      21.6986      0.00000
     15      22.8300      0.00000
     16      24.3154      0.00000

 k-point    96 :      -0.4545   -0.4545   -0.9091
  band No.  band energies     occupation 
      1      -1.9266      2.00000
      2      -1.6880      2.00000
      3       2.6627      2.00000
      4       3.2905      2.00000
      5       6.8810      0.00000
      6       7.2923      0.00000
      7      15.6764      0.00000
      8      16.0487      0.00000
      9      16.3396      0.00000
     10      16.4520      0.00000
     11      19.3130      0.00000
     12      19.4239      0.00000
     13      19.8691      0.00000
     14      20.2155      0.00000
     15      24.0492      0.00000
     16      24.4473      0.00000

 k-point    97 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.4408      2.00000
      2      -0.7295      2.00000
      3       3.2382      2.00000
      4       4.3057      2.00000
      5       8.7102      0.00000
      6       9.1540      0.00000
      7      10.7961      0.00000
      8      13.2846      0.00000
      9      15.0515      0.00000
     10      15.9705      0.00000
     11      17.3841      0.00000
     12      18.7930      0.00000
     13      20.0624      0.00000
     14      21.6349      0.00000
     15      24.1167      0.00000
     16      25.9586      0.00000

 k-point    98 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9531      2.00000
      2      -0.8052      2.00000
      3       2.2231      2.00000
      4       3.7629      2.00000
      5       8.4662      0.00000
      6      10.0554      0.00000
      7      12.3518      0.00000
      8      13.0363      0.00000
      9      13.4618      0.00000
     10      16.1241      0.00000
     11      18.3747      0.00000
     12      19.3026      0.00000
     13      21.9679      0.00000
     14      22.6852      0.00000
     15      23.6753      0.00000
     16      24.7200      0.00000

 k-point    99 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.3994      2.00000
      2      -1.0430      2.00000
      3       1.7587      2.00000
      4       3.2521      2.00000
      5       7.9287      0.00000
      6      10.8684      0.00000
      7      11.8607      0.00000
      8      13.4504      0.00000
      9      14.2321      0.00000
     10      16.2692      0.00000
     11      19.3608      0.00000
     12      20.5752      0.00000
     13      21.9256      0.00000
     14      22.3943      0.00000
     15      23.5718      0.00000
     16      24.6295      0.00000

 k-point   100 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.8489      2.00000
      2      -1.6053      2.00000
      3       2.1049      2.00000
      4       2.9078      2.00000
      5       7.5616      0.00000
      6       9.0713      0.00000
      7      13.6231      0.00000
      8      13.8167      0.00000
      9      15.9226      0.00000
     10      16.5181      0.00000
     11      19.2510      0.00000
     12      20.1210      0.00000
     13      21.8141      0.00000
     14      22.6250      0.00000
     15      23.0285      0.00000
     16      23.3903      0.00000

 k-point   101 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.0916      2.00000
      2       0.2909      2.00000
      3       3.3555      2.00000
      4       4.5285      2.00000
      5       8.7184      0.00000
      6       9.3840      0.00000
      7      10.8672      0.00000
      8      11.7691      0.00000
      9      14.6909      0.00000
     10      16.0344      0.00000
     11      18.1234      0.00000
     12      18.3316      0.00000
     13      20.5295      0.00000
     14      21.6163      0.00000
     15      23.1849      0.00000
     16      24.1435      0.00000

 k-point   102 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.4837      2.00000
      2      -0.0957      2.00000
      3       2.2232      2.00000
      4       4.0759      2.00000
      5       8.8528      0.00000
      6       9.8497      0.00000
      7      11.6030      0.00000
      8      12.2590      0.00000
      9      14.5533      0.00000
     10      15.1934      0.00000
     11      18.6094      0.00000
     12      20.6767      0.00000
     13      20.8585      0.00000
     14      21.3760      0.00000
     15      23.8626      0.00000
     16      24.2253      0.00000

 k-point   103 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.7858      2.00000
      2      -0.6487      2.00000
      3       1.6520      2.00000
      4       3.5933      2.00000
      5       8.3221      0.00000
      6      11.1457      0.00000
      7      11.8780      0.00000
      8      12.9899      0.00000
      9      13.7958      0.00000
     10      14.8619      0.00000
     11      20.4318      0.00000
     12      20.8547      0.00000
     13      20.9361      0.00000
     14      22.9398      0.00000
     15      23.1363      0.00000
     16      23.9769      0.00000

 k-point   104 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.7816      2.00000
      2       1.6762      2.00000
      3       3.6311      2.00000
      4       4.8893      2.00000
      5       8.6709      0.00000
      6       9.6266      0.00000
      7      10.7504      0.00000
      8      10.9301      0.00000
      9      13.6022      0.00000
     10      16.3014      0.00000
     11      16.5582      0.00000
     12      18.5882      0.00000
     13      20.2369      0.00000
     14      21.7580      0.00000
     15      22.3337      0.00000
     16      24.3466      0.00000

 k-point   105 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1940      2.00000
      2       0.9187      2.00000
      3       2.6215      2.00000
      4       4.5144      2.00000
      5       9.3289      0.00000
      6       9.4269      0.00000
      7      10.6631      0.00000
      8      11.8140      0.00000
      9      13.5933      0.00000
     10      16.8871      0.00000
     11      18.4974      0.00000
     12      18.6674      0.00000
     13      19.8336      0.00000
     14      22.2595      0.00000
     15      22.4969      0.00000
     16      25.1093      0.00000

 k-point   106 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3169      2.00000
      2       3.0309      2.00000
      3       4.2136      2.00000
      4       5.2202      2.00000
      5       8.3476      0.00000
      6       9.6819      0.00000
      7      10.4489      0.00000
      8      10.8529      0.00000
      9      13.1752      0.00000
     10      14.6633      0.00000
     11      16.4770      0.00000
     12      17.6501      0.00000
     13      18.9294      0.00000
     14      20.9086      0.00000
     15      23.7149      0.00000
     16      25.1241      0.00000

 k-point   107 :      -0.0000   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.6255      2.00000
      2       3.3339      2.00000
      3       5.5540      2.00000
      4       5.5750      2.00000
      5       8.4727      0.00000
      6       9.3112      0.00000
      7       9.4622      0.00000
      8      11.9620      0.00000
      9      13.1262      0.00000
     10      13.1814      0.00000
     11      15.2976      0.00000
     12      16.8638      0.00000
     13      19.5551      0.00000
     14      19.5623      0.00000
     15      23.8309      0.00000
     16      25.7304      0.00000

 k-point   108 :       0.0909    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.6583      2.00000
      2       3.8671      2.00000
      3       5.1543      2.00000
      4       5.3446      2.00000
      5       8.3720      0.00000
      6       9.5519      0.00000
      7       9.9130      0.00000
      8      11.1399      0.00000
      9      12.7789      0.00000
     10      13.9402      0.00000
     11      15.5374      0.00000
     12      17.2412      0.00000
     13      18.4865      0.00000
     14      19.4110      0.00000
     15      23.9588      0.00000
     16      25.5615      0.00000

 k-point   109 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4699      2.00000
      2       3.7788      2.00000
      3       4.6995      2.00000
      4       4.7001      2.00000
      5       7.6459      0.00000
      6      10.2411      0.00000
      7      10.7075      0.00000
      8      10.7233      0.00000
      9      13.0396      0.00000
     10      14.4515      0.00000
     11      16.2406      0.00000
     12      18.3908      0.00000
     13      18.3961      0.00000
     14      19.0158      0.00000
     15      25.1532      0.00000
     16      25.3498      0.00000

 k-point   110 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0669      2.00000
      2       2.5877      2.00000
      3       4.3033      2.00000
      4       4.3423      2.00000
      5       7.6764      0.00000
      6       9.7451      0.00000
      7      10.9373      0.00000
      8      11.3055      0.00000
      9      14.3631      0.00000
     10      14.7733      0.00000
     11      16.9748      0.00000
     12      18.3937      0.00000
     13      19.3725      0.00000
     14      20.7078      0.00000
     15      23.4222      0.00000
     16      23.9568      0.00000

 k-point   111 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.4714      2.00000
      2       1.1731      2.00000
      3       3.7577      2.00000
      4       4.1357      2.00000
      5       7.9180      0.00000
      6      10.0900      0.00000
      7      10.7241      0.00000
      8      11.3543      0.00000
      9      15.6086      0.00000
     10      16.1099      0.00000
     11      16.6801      0.00000
     12      19.6849      0.00000
     13      19.7934      0.00000
     14      21.4655      0.00000
     15      22.3567      0.00000
     16      23.7039      0.00000

 k-point   112 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.7570      2.00000
      2      -0.1100      2.00000
      3       3.2565      2.00000
      4       4.1012      2.00000
      5       7.9527      0.00000
      6      10.5018      0.00000
      7      11.0660      0.00000
      8      11.3312      0.00000
      9      16.0388      0.00000
     10      16.9910      0.00000
     11      17.8812      0.00000
     12      18.0814      0.00000
     13      19.1704      0.00000
     14      22.5259      0.00000
     15      24.0722      0.00000
     16      24.2558      0.00000

 k-point   113 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.2434      2.00000
      2      -0.8526      2.00000
      3       2.8977      2.00000
      4       4.2365      2.00000
      5       8.0581      0.00000
      6      10.3722      0.00000
      7      10.7623      0.00000
      8      13.0002      0.00000
      9      15.2891      0.00000
     10      15.7581      0.00000
     11      17.7182      0.00000
     12      19.0357      0.00000
     13      19.9836      0.00000
     14      21.9918      0.00000
     15      25.2136      0.00000
     16      25.4550      0.00000

 k-point   114 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.5594      2.00000
      2      -0.4029      2.00000
      3       2.7261      2.00000
      4       4.5250      2.00000
      5       8.3297      0.00000
      6      10.3587      0.00000
      7      10.5496      0.00000
      8      13.8683      0.00000
      9      14.0736      0.00000
     10      14.8027      0.00000
     11      17.5252      0.00000
     12      20.0408      0.00000
     13      21.0604      0.00000
     14      21.5819      0.00000
     15      22.8527      0.00000
     16      25.2216      0.00000

 k-point   115 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2692      2.00000
      2       0.7648      2.00000
      3       2.7994      2.00000
      4       4.9288      2.00000
      5       8.7295      0.00000
      6      10.3136      0.00000
      7      10.4376      0.00000
      8      12.5338      0.00000
      9      12.6687      0.00000
     10      16.2591      0.00000
     11      18.1447      0.00000
     12      18.2511      0.00000
     13      20.2067      0.00000
     14      22.3174      0.00000
     15      23.0031      0.00000
     16      24.0547      0.00000

 k-point   116 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9103      2.00000
      2       1.9676      2.00000
      3       3.3143      2.00000
      4       5.3647      2.00000
      5       9.1024      0.00000
      6       9.8489      0.00000
      7      10.1554      0.00000
      8      11.8497      0.00000
      9      12.1333      0.00000
     10      16.2352      0.00000
     11      16.8571      0.00000
     12      17.8265      0.00000
     13      19.9591      0.00000
     14      21.2729      0.00000
     15      22.7702      0.00000
     16      24.9472      0.00000

 k-point   117 :      -0.0909    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.3727      2.00000
      2       2.7379      2.00000
      3       4.5093      2.00000
      4       5.6511      2.00000
      5       8.8796      0.00000
      6       9.3364      0.00000
      7       9.7353      0.00000
      8      12.0278      0.00000
      9      12.4428      0.00000
     10      14.4198      0.00000
     11      15.8775      0.00000
     12      17.4638      0.00000
     13      19.2457      0.00000
     14      21.1268      0.00000
     15      23.4473      0.00000
     16      24.6820      0.00000

 k-point   118 :      -0.0000    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.6584      2.00000
      2       3.8669      2.00000
      3       5.1546      2.00000
      4       5.3447      2.00000
      5       8.3726      0.00000
      6       9.5517      0.00000
      7       9.9130      0.00000
      8      11.1398      0.00000
      9      12.7772      0.00000
     10      13.9413      0.00000
     11      15.5371      0.00000
     12      17.2419      0.00000
     13      18.4881      0.00000
     14      19.4107      0.00000
     15      23.9567      0.00000
     16      25.5491      0.00000

 k-point   119 :       0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.7695      2.00000
      2       4.2549      2.00000
      3       5.0016      2.00000
      4       5.9346      2.00000
      5       9.0516      0.00000
      6       9.0959      0.00000
      7       9.1981      0.00000
      8      11.1753      0.00000
      9      12.8365      0.00000
     10      13.6740      0.00000
     11      15.1870      0.00000
     12      17.2190      0.00000
     13      17.9247      0.00000
     14      19.3790      0.00000
     15      23.2945      0.00000
     16      25.5816      0.00000

 k-point   120 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3288      2.00000
      2       3.0306      2.00000
      3       4.1784      2.00000
      4       5.2286      2.00000
      5       8.4036      0.00000
      6       9.7810      0.00000
      7      10.5026      0.00000
      8      10.8643      0.00000
      9      13.2077      0.00000
     10      14.5834      0.00000
     11      16.4275      0.00000
     12      17.6581      0.00000
     13      18.8611      0.00000
     14      20.8106      0.00000
     15      23.4185      0.00000
     16      25.1070      0.00000

 k-point   121 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7961      2.00000
      2       1.6950      2.00000
      3       3.5935      2.00000
      4       4.8912      2.00000
      5       8.7506      0.00000
      6       9.6426      0.00000
      7      10.7381      0.00000
      8      11.0093      0.00000
      9      13.7765      0.00000
     10      16.0892      0.00000
     11      16.4723      0.00000
     12      18.5873      0.00000
     13      20.1557      0.00000
     14      21.5738      0.00000
     15      22.3277      0.00000
     16      24.5180      0.00000

 k-point   122 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1077      2.00000
      2       0.3064      2.00000
      3       3.3450      2.00000
      4       4.5175      2.00000
      5       8.8031      0.00000
      6       9.3855      0.00000
      7      10.8650      0.00000
      8      11.7969      0.00000
      9      14.9153      0.00000
     10      15.9243      0.00000
     11      17.8348      0.00000
     12      18.1669      0.00000
     13      20.7323      0.00000
     14      21.6467      0.00000
     15      23.1959      0.00000
     16      24.1366      0.00000

 k-point   123 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4532      2.00000
      2      -0.7243      2.00000
      3       3.2570      2.00000
      4       4.2842      2.00000
      5       8.7928      0.00000
      6       9.1501      0.00000
      7      10.7814      0.00000
      8      13.2963      0.00000
      9      14.8482      0.00000
     10      16.0727      0.00000
     11      17.4937      0.00000
     12      18.9801      0.00000
     13      19.7681      0.00000
     14      21.6196      0.00000
     15      24.1658      0.00000
     16      25.9747      0.00000

 k-point   124 :       0.6364    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.4533      2.00000
      2      -0.7242      2.00000
      3       3.2572      2.00000
      4       4.2840      2.00000
      5       8.7931      0.00000
      6       9.1497      0.00000
      7      10.7815      0.00000
      8      13.2978      0.00000
      9      14.8471      0.00000
     10      16.0721      0.00000
     11      17.4935      0.00000
     12      18.9804      0.00000
     13      19.7663      0.00000
     14      21.6219      0.00000
     15      24.1678      0.00000
     16      25.9752      0.00000

 k-point   125 :      -0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1079      2.00000
      2       0.3065      2.00000
      3       3.3454      2.00000
      4       4.5171      2.00000
      5       8.8036      0.00000
      6       9.3848      0.00000
      7      10.8653      0.00000
      8      11.7980      0.00000
      9      14.9149      0.00000
     10      15.9244      0.00000
     11      17.8329      0.00000
     12      18.1659      0.00000
     13      20.7328      0.00000
     14      21.6477      0.00000
     15      23.1976      0.00000
     16      24.1383      0.00000

 k-point   126 :      -0.1818    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.7963      2.00000
      2       1.6949      2.00000
      3       3.5941      2.00000
      4       4.8909      2.00000
      5       8.7512      0.00000
      6       9.6421      0.00000
      7      10.7385      0.00000
      8      11.0095      0.00000
      9      13.7765      0.00000
     10      16.0875      0.00000
     11      16.4730      0.00000
     12      18.5883      0.00000
     13      20.1552      0.00000
     14      21.5735      0.00000
     15      22.3272      0.00000
     16      24.5178      0.00000

 k-point   127 :      -0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3289      2.00000
      2       3.0301      2.00000
      3       4.1792      2.00000
      4       5.2285      2.00000
      5       8.4044      0.00000
      6       9.7807      0.00000
      7      10.5028      0.00000
      8      10.8639      0.00000
      9      13.2075      0.00000
     10      14.5824      0.00000
     11      16.4275      0.00000
     12      17.6594      0.00000
     13      18.8629      0.00000
     14      20.8096      0.00000
     15      23.4159      0.00000
     16      25.1035      0.00000

 k-point   128 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.4700      2.00000
      2       3.7780      2.00000
      3       4.7000      2.00000
      4       4.7008      2.00000
      5       7.6466      0.00000
      6      10.2409      0.00000
      7      10.7067      0.00000
      8      10.7236      0.00000
      9      13.0382      0.00000
     10      14.4529      0.00000
     11      16.2399      0.00000
     12      18.3932      0.00000
     13      18.3957      0.00000
     14      19.0159      0.00000
     15      25.1485      0.00000
     16      25.4109      0.00000

 k-point   129 :       0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.3726      2.00000
      2       2.7381      2.00000
      3       4.5086      2.00000
      4       5.6514      2.00000
      5       8.8795      0.00000
      6       9.3365      0.00000
      7       9.7347      0.00000
      8      12.0274      0.00000
      9      12.4435      0.00000
     10      14.4211      0.00000
     11      15.8769      0.00000
     12      17.4629      0.00000
     13      19.2435      0.00000
     14      21.1288      0.00000
     15      23.4500      0.00000
     16      24.6825      0.00000

 k-point   130 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9102      2.00000
      2       1.9677      2.00000
      3       3.3136      2.00000
      4       5.3652      2.00000
      5       9.1031      0.00000
      6       9.8488      0.00000
      7      10.1546      0.00000
      8      11.8493      0.00000
      9      12.1337      0.00000
     10      16.2370      0.00000
     11      16.8565      0.00000
     12      17.8243      0.00000
     13      19.9592      0.00000
     14      21.2740      0.00000
     15      22.7717      0.00000
     16      24.9505      0.00000

 k-point   131 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.2691      2.00000
      2       0.7646      2.00000
      3       2.7988      2.00000
      4       4.9294      2.00000
      5       8.7303      0.00000
      6      10.3140      0.00000
      7      10.4367      0.00000
      8      12.5329      0.00000
      9      12.6692      0.00000
     10      16.2592      0.00000
     11      18.1463      0.00000
     12      18.2509      0.00000
     13      20.2059      0.00000
     14      22.3164      0.00000
     15      23.0018      0.00000
     16      24.0572      0.00000

 k-point   132 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.5594      2.00000
      2      -0.4031      2.00000
      3       2.7256      2.00000
      4       4.5256      2.00000
      5       8.3305      0.00000
      6      10.3583      0.00000
      7      10.5499      0.00000
      8      13.8670      0.00000
      9      14.0741      0.00000
     10      14.8041      0.00000
     11      17.5244      0.00000
     12      20.0428      0.00000
     13      21.0582      0.00000
     14      21.5811      0.00000
     15      22.8504      0.00000
     16      25.2232      0.00000

 k-point   133 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.2435      2.00000
      2      -0.8527      2.00000
      3       2.8972      2.00000
      4       4.2371      2.00000
      5       8.0588      0.00000
      6      10.3717      0.00000
      7      10.7629      0.00000
      8      13.0019      0.00000
      9      15.2882      0.00000
     10      15.7577      0.00000
     11      17.7175      0.00000
     12      19.0339      0.00000
     13      19.9826      0.00000
     14      21.9941      0.00000
     15      25.2119      0.00000
     16      25.4549      0.00000

 k-point   134 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.7572      2.00000
      2      -0.1101      2.00000
      3       3.2562      2.00000
      4       4.1018      2.00000
      5       7.9532      0.00000
      6      10.5012      0.00000
      7      11.0667      0.00000
      8      11.3326      0.00000
      9      16.0383      0.00000
     10      16.9898      0.00000
     11      17.8796      0.00000
     12      18.0813      0.00000
     13      19.1702      0.00000
     14      22.5260      0.00000
     15      24.0737      0.00000
     16      24.2581      0.00000

 k-point   135 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4716      2.00000
      2       1.1729      2.00000
      3       3.7577      2.00000
      4       4.1362      2.00000
      5       7.9186      0.00000
      6      10.0909      0.00000
      7      10.7235      0.00000
      8      11.3548      0.00000
      9      15.6079      0.00000
     10      16.1094      0.00000
     11      16.6798      0.00000
     12      19.6846      0.00000
     13      19.7932      0.00000
     14      21.4647      0.00000
     15      22.3573      0.00000
     16      23.7040      0.00000

 k-point   136 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0671      2.00000
      2       2.5871      2.00000
      3       4.3039      2.00000
      4       4.3427      2.00000
      5       7.6772      0.00000
      6       9.7451      0.00000
      7      10.9370      0.00000
      8      11.3055      0.00000
      9      14.3618      0.00000
     10      14.7743      0.00000
     11      16.9744      0.00000
     12      18.3940      0.00000
     13      19.3733      0.00000
     14      20.7080      0.00000
     15      23.4205      0.00000
     16      23.9573      0.00000

 k-point   137 :       0.2727    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.1974      2.00000
      2       2.1918      2.00000
      3       4.8754      2.00000
      4       5.0096      2.00000
      5       8.5523      0.00000
      6       9.3241      0.00000
      7      10.3387      0.00000
      8      11.3919      0.00000
      9      14.0536      0.00000
     10      14.1780      0.00000
     11      15.7184      0.00000
     12      18.0175      0.00000
     13      19.9860      0.00000
     14      21.2032      0.00000
     15      23.3898      0.00000
     16      24.0537      0.00000

 k-point   138 :       0.3636    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6457      2.00000
      3       3.6566      2.00000
      4       4.9192      2.00000
      5       8.7729      0.00000
      6       9.6773      0.00000
      7      10.7597      0.00000
      8      10.9901      0.00000
      9      13.7318      0.00000
     10      16.1817      0.00000
     11      16.5621      0.00000
     12      18.4648      0.00000
     13      20.0553      0.00000
     14      21.5766      0.00000
     15      22.2165      0.00000
     16      24.4023      0.00000

 k-point   139 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2303      2.00000
      2       0.9447      2.00000
      3       2.6024      2.00000
      4       4.5282      2.00000
      5       9.3725      0.00000
      6       9.5000      0.00000
      7      10.7608      0.00000
      8      11.8756      0.00000
      9      13.7037      0.00000
     10      16.6944      0.00000
     11      18.2963      0.00000
     12      18.6494      0.00000
     13      19.7425      0.00000
     14      22.0912      0.00000
     15      22.4810      0.00000
     16      25.0649      0.00000

 k-point   140 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.5230      2.00000
      2      -0.0522      2.00000
      3       2.1943      2.00000
      4       4.0949      2.00000
      5       8.9081      0.00000
      6       9.8133      0.00000
      7      11.8213      0.00000
      8      12.3126      0.00000
      9      14.6142      0.00000
     10      14.9634      0.00000
     11      18.5450      0.00000
     12      20.3910      0.00000
     13      20.8204      0.00000
     14      21.4060      0.00000
     15      24.0625      0.00000
     16      24.2966      0.00000

 k-point   141 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.9694      2.00000
      2      -0.7974      2.00000
      3       2.2139      2.00000
      4       3.7927      2.00000
      5       8.5165      0.00000
      6      10.0006      0.00000
      7      12.3884      0.00000
      8      12.9000      0.00000
      9      13.5901      0.00000
     10      16.1748      0.00000
     11      18.3024      0.00000
     12      19.2684      0.00000
     13      22.2814      0.00000
     14      22.3461      0.00000
     15      23.7538      0.00000
     16      24.6393      0.00000

 k-point   142 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.2413      2.00000
      2      -0.4485      2.00000
      3       2.4643      2.00000
      4       3.7056      2.00000
      5       8.2853      0.00000
      6      10.2771      0.00000
      7      11.1562      0.00000
      8      12.4937      0.00000
      9      15.4234      0.00000
     10      16.7824      0.00000
     11      17.9260      0.00000
     12      19.2293      0.00000
     13      20.3814      0.00000
     14      22.7393      0.00000
     15      24.1355      0.00000
     16      24.9205      0.00000

 k-point   143 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.9509      2.00000
      2       0.5991      2.00000
      3       2.8734      2.00000
      4       3.8729      2.00000
      5       8.1489      0.00000
      6       9.7258      0.00000
      7      10.7175      0.00000
      8      12.5298      0.00000
      9      15.4292      0.00000
     10      17.0756      0.00000
     11      18.3797      0.00000
     12      18.7456      0.00000
     13      20.4421      0.00000
     14      21.0554      0.00000
     15      22.7563      0.00000
     16      24.5094      0.00000

 k-point   144 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.5975      2.00000
      2       1.7143      2.00000
      3       3.4713      2.00000
      4       4.2014      2.00000
      5       7.7847      0.00000
      6       9.3057      0.00000
      7      11.0542      0.00000
      8      12.1383      0.00000
      9      14.6102      0.00000
     10      16.3923      0.00000
     11      17.7697      0.00000
     12      18.6314      0.00000
     13      20.1734      0.00000
     14      21.6316      0.00000
     15      21.8076      0.00000
     16      23.9227      0.00000

 k-point   145 :       0.2727    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6460      2.00000
      3       3.6573      2.00000
      4       4.9184      2.00000
      5       8.7727      0.00000
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      7      10.7600      0.00000
      8      10.9910      0.00000
      9      13.7322      0.00000
     10      16.1805      0.00000
     11      16.5632      0.00000
     12      18.4658      0.00000
     13      20.0552      0.00000
     14      21.5761      0.00000
     15      22.2162      0.00000
     16      24.4031      0.00000

 k-point   146 :       0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.4986      2.00000
      2       1.1387      2.00000
      3       3.7671      2.00000
      4       4.2175      2.00000
      5       7.9676      0.00000
      6      10.0591      0.00000
      7      10.8009      0.00000
      8      11.3991      0.00000
      9      15.6820      0.00000
     10      16.0654      0.00000
     11      16.7418      0.00000
     12      19.5522      0.00000
     13      19.6534      0.00000
     14      21.3715      0.00000
     15      22.2950      0.00000
     16      23.5655      0.00000

 k-point   147 :       0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.9903      2.00000
      2       0.6047      2.00000
      3       2.8882      2.00000
      4       3.8912      2.00000
      5       8.2453      0.00000
      6       9.6903      0.00000
      7      10.8222      0.00000
      8      12.5853      0.00000
      9      15.5570      0.00000
     10      16.9536      0.00000
     11      18.2192      0.00000
     12      18.6826      0.00000
     13      20.4295      0.00000
     14      21.0201      0.00000
     15      22.6071      0.00000
     16      24.4917      0.00000

 k-point   148 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6067      2.00000
      2      -0.8281      2.00000
      3       1.8854      2.00000
      4       3.0452      2.00000
      5       9.4706      0.00000
      6       9.8105      0.00000
      7      11.1577      0.00000
      8      13.2985      0.00000
      9      14.2854      0.00000
     10      16.7924      0.00000
     11      18.8011      0.00000
     12      20.2442      0.00000
     13      21.8072      0.00000
     14      22.9385      0.00000
     15      23.2786      0.00000
     16      24.9057      0.00000

 k-point   149 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.2746      2.00000
      2      -0.1045      2.00000
      3       2.1860      2.00000
      4       3.3841      2.00000
      5       9.1185      0.00000
      6       9.7131      0.00000
      7      10.3316      0.00000
      8      13.7938      0.00000
      9      15.3769      0.00000
     10      15.6166      0.00000
     11      19.7517      0.00000
     12      20.4576      0.00000
     13      20.4625      0.00000
     14      20.9101      0.00000
     15      23.0595      0.00000
     16      24.4648      0.00000

 k-point   150 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2304      2.00000
      2       0.9453      2.00000
      3       2.6029      2.00000
      4       4.5274      2.00000
      5       9.3709      0.00000
      6       9.4995      0.00000
      7      10.7603      0.00000
      8      11.8771      0.00000
      9      13.7043      0.00000
     10      16.6936      0.00000
     11      18.2950      0.00000
     12      18.6515      0.00000
     13      19.7429      0.00000
     14      22.0916      0.00000
     15      22.4833      0.00000
     16      25.0652      0.00000

 k-point   151 :       0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.9904      2.00000
      2       0.6050      2.00000
      3       2.8887      2.00000
      4       3.8907      2.00000
      5       8.2451      0.00000
      6       9.6901      0.00000
      7      10.8200      0.00000
      8      12.5872      0.00000
      9      15.5580      0.00000
     10      16.9526      0.00000
     11      18.2176      0.00000
     12      18.6831      0.00000
     13      20.4314      0.00000
     14      21.0218      0.00000
     15      22.6080      0.00000
     16      24.4925      0.00000

 k-point   152 :       0.4545    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.5583      2.00000
      2       0.0831      2.00000
      3       2.6614      2.00000
      4       3.7397      2.00000
      5       7.4235      0.00000
      6       9.2111      0.00000
      7      12.4900      0.00000
      8      12.6332      0.00000
      9      17.3107      0.00000
     10      17.4396      0.00000
     11      17.8832      0.00000
     12      18.2967      0.00000
     13      19.8914      0.00000
     14      21.8952      0.00000
     15      23.0055      0.00000
     16      24.6920      0.00000

 k-point   153 :      -0.4545   -0.5455   -0.8182
  band No.  band energies     occupation 
      1      -2.9587      2.00000
      2      -0.4965      2.00000
      3       2.2845      2.00000
      4       3.2248      2.00000
      5       7.8863      0.00000
      6       9.0240      0.00000
      7      12.1826      0.00000
      8      14.3642      0.00000
      9      15.5161      0.00000
     10      17.4283      0.00000
     11      18.3568      0.00000
     12      20.2206      0.00000
     13      20.7224      0.00000
     14      21.3647      0.00000
     15      23.3562      0.00000
     16      23.9547      0.00000

 k-point   154 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5232      2.00000
      2      -0.0514      2.00000
      3       2.1948      2.00000
      4       4.0941      2.00000
      5       8.9063      0.00000
      6       9.8127      0.00000
      7      11.8206      0.00000
      8      12.3139      0.00000
      9      14.6151      0.00000
     10      14.9621      0.00000
     11      18.5469      0.00000
     12      20.3895      0.00000
     13      20.8231      0.00000
     14      21.4084      0.00000
     15      24.0629      0.00000
     16      24.2982      0.00000

 k-point   155 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3231      2.00000
      2      -0.0573      2.00000
      3       2.1812      2.00000
      4       3.3805      2.00000
      5       9.1308      0.00000
      6       9.7744      0.00000
      7      10.4521      0.00000
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      9      15.1493      0.00000
     10      15.7255      0.00000
     11      19.7522      0.00000
     12      20.2984      0.00000
     13      20.4491      0.00000
     14      20.8663      0.00000
     15      23.0436      0.00000
     16      24.3471      0.00000

 k-point   156 :      -0.5455   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -2.9587      2.00000
      2      -0.4963      2.00000
      3       2.2847      2.00000
      4       3.2248      2.00000
      5       7.8859      0.00000
      6       9.0237      0.00000
      7      12.1800      0.00000
      8      14.3667      0.00000
      9      15.5138      0.00000
     10      17.4301      0.00000
     11      18.3593      0.00000
     12      20.2189      0.00000
     13      20.7233      0.00000
     14      21.3673      0.00000
     15      23.3551      0.00000
     16      23.9557      0.00000

 k-point   157 :      -0.4545   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -2.4578      2.00000
      2      -1.0640      2.00000
      3       2.0612      2.00000
      4       3.4920      2.00000
      5       7.1189      0.00000
      6       8.7922      0.00000
      7      14.0376      0.00000
      8      14.2683      0.00000
      9      15.9581      0.00000
     10      16.0560      0.00000
     11      19.4861      0.00000
     12      20.1622      0.00000
     13      21.4639      0.00000
     14      21.5764      0.00000
     15      22.2775      0.00000
     16      24.3407      0.00000

 k-point   158 :      -0.3636   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -1.9958      2.00000
      2      -1.4822      2.00000
      3       2.0496      2.00000
      4       3.0184      2.00000
      5       7.7606      0.00000
      6       8.8046      0.00000
      7      13.6200      0.00000
      8      13.8938      0.00000
      9      15.9440      0.00000
     10      16.6145      0.00000
     11      19.2922      0.00000
     12      20.0193      0.00000
     13      21.8589      0.00000
     14      22.4892      0.00000
     15      22.9303      0.00000
     16      23.3413      0.00000

 k-point   159 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -2.9696      2.00000
      2      -0.7967      2.00000
      3       2.2143      2.00000
      4       3.7920      2.00000
      5       8.5149      0.00000
      6       9.9997      0.00000
      7      12.3894      0.00000
      8      12.8985      0.00000
      9      13.5894      0.00000
     10      16.1762      0.00000
     11      18.3045      0.00000
     12      19.2707      0.00000
     13      22.2817      0.00000
     14      22.3445      0.00000
     15      23.7565      0.00000
     16      24.6409      0.00000

 k-point   160 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6424      2.00000
      2      -0.7874      2.00000
      3       1.8789      2.00000
      4       3.0428      2.00000
      5       9.4084      0.00000
      6       9.8756      0.00000
      7      11.3515      0.00000
      8      13.0960      0.00000
      9      14.2990      0.00000
     10      16.8736      0.00000
     11      18.7389      0.00000
     12      20.2501      0.00000
     13      21.8244      0.00000
     14      22.7061      0.00000
     15      23.2752      0.00000
     16      25.1408      0.00000

 k-point   161 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.2550      2.00000
      2      -1.1207      2.00000
      3       2.1245      2.00000
      4       2.5161      2.00000
      5       8.9974      0.00000
      6       9.3188      0.00000
      7      11.7465      0.00000
      8      13.3592      0.00000
      9      15.8430      0.00000
     10      17.3282      0.00000
     11      18.7037      0.00000
     12      20.0651      0.00000
     13      21.8550      0.00000
     14      22.7201      0.00000
     15      23.2360      0.00000
     16      24.5187      0.00000

 k-point   162 :      -0.4545   -0.3636   -0.8182
  band No.  band energies     occupation 
      1      -1.9957      2.00000
      2      -1.4822      2.00000
      3       2.0497      2.00000
      4       3.0186      2.00000
      5       7.7602      0.00000
      6       8.8043      0.00000
      7      13.6175      0.00000
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      9      15.9464      0.00000
     10      16.6172      0.00000
     11      19.2948      0.00000
     12      20.0220      0.00000
     13      21.8565      0.00000
     14      22.4864      0.00000
     15      22.9304      0.00000
     16      23.3421      0.00000

 k-point   163 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.2412      2.00000
      2      -0.4481      2.00000
      3       2.4645      2.00000
      4       3.7052      2.00000
      5       8.2838      0.00000
      6      10.2761      0.00000
      7      11.1548      0.00000
      8      12.4948      0.00000
      9      15.4228      0.00000
     10      16.7843      0.00000
     11      17.9274      0.00000
     12      19.2312      0.00000
     13      20.3813      0.00000
     14      22.7401      0.00000
     15      24.1349      0.00000
     16      24.9213      0.00000

 k-point   164 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.6066      2.00000
      2      -0.8276      2.00000
      3       1.8853      2.00000
      4       3.0452      2.00000
      5       9.4691      0.00000
      6       9.8090      0.00000
      7      11.1560      0.00000
      8      13.2979      0.00000
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     10      16.7947      0.00000
     11      18.8028      0.00000
     12      20.2459      0.00000
     13      21.8086      0.00000
     14      22.9383      0.00000
     15      23.2797      0.00000
     16      24.9042      0.00000

 k-point   165 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -1.9685      2.00000
      2      -1.3592      2.00000
      3       1.8351      2.00000
      4       2.5375      2.00000
      5       9.2904      0.00000
      6      10.7564      0.00000
      7      11.4699      0.00000
      8      11.6323      0.00000
      9      15.8437      0.00000
     10      16.9133      0.00000
     11      18.9960      0.00000
     12      20.2835      0.00000
     13      21.9363      0.00000
     14      22.9678      0.00000
     15      24.5468      0.00000
     16      24.5500      0.00000

 k-point   166 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.9507      2.00000
      2       0.5995      2.00000
      3       2.8732      2.00000
      4       3.8727      2.00000
      5       8.1475      0.00000
      6       9.7249      0.00000
      7      10.7164      0.00000
      8      12.5308      0.00000
      9      15.4306      0.00000
     10      17.0755      0.00000
     11      18.3795      0.00000
     12      18.7459      0.00000
     13      20.4434      0.00000
     14      21.0567      0.00000
     15      22.7569      0.00000
     16      24.5099      0.00000

 k-point   167 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.2743      2.00000
      2      -0.1043      2.00000
      3       2.1857      2.00000
      4       3.3843      2.00000
      5       9.1169      0.00000
      6       9.7120      0.00000
      7      10.3301      0.00000
      8      13.7955      0.00000
      9      15.3762      0.00000
     10      15.6183      0.00000
     11      19.7523      0.00000
     12      20.4590      0.00000
     13      20.4632      0.00000
     14      20.9110      0.00000
     15      23.0611      0.00000
     16      24.4652      0.00000

 k-point   168 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.5972      2.00000
      2       1.7147      2.00000
      3       3.4708      2.00000
      4       4.2011      2.00000
      5       7.7836      0.00000
      6       9.3054      0.00000
      7      11.0534      0.00000
      8      12.1395      0.00000
      9      14.6108      0.00000
     10      16.3918      0.00000
     11      17.7704      0.00000
     12      18.6313      0.00000
     13      20.1739      0.00000
     14      21.6319      0.00000
     15      21.8075      0.00000
     16      23.9233      0.00000

 k-point   169 :       0.0000    0.0000    0.2727
  band No.  band energies     occupation 
      1      -5.1061      2.00000
      2       1.6536      2.00000
      3       5.2373      2.00000
      4       5.2488      2.00000
      5       8.1518      0.00000
      6       9.5502      0.00000
      7       9.6923      0.00000
      8      13.3569      0.00000
      9      13.5050      0.00000
     10      13.5609      0.00000
     11      15.0998      0.00000
     12      18.4355      0.00000
     13      21.0869      0.00000
     14      21.0973      0.00000
     15      23.5505      0.00000
     16      23.7597      0.00000

 k-point   170 :       0.0909   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -5.2028      2.00000
      2       2.2157      2.00000
      3       4.8389      2.00000
      4       4.9730      2.00000
      5       8.5360      0.00000
      6       9.5269      0.00000
      7      10.2583      0.00000
      8      11.4968      0.00000
      9      13.9361      0.00000
     10      14.1706      0.00000
     11      15.7374      0.00000
     12      17.9738      0.00000
     13      19.9513      0.00000
     14      21.1830      0.00000
     15      23.1921      0.00000
     16      23.9291      0.00000

 k-point   171 :       0.1818    0.0000    0.2727
  band No.  band energies     occupation 
      1      -5.0818      2.00000
      2       2.5889      2.00000
      3       4.2618      2.00000
      4       4.3591      2.00000
      5       7.7223      0.00000
      6       9.8362      0.00000
      7      11.0706      0.00000
      8      11.2909      0.00000
      9      14.2551      0.00000
     10      14.8068      0.00000
     11      17.0090      0.00000
     12      18.3583      0.00000
     13      19.2747      0.00000
     14      20.5487      0.00000
     15      23.1448      0.00000
     16      23.7839      0.00000

 k-point   172 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7464      2.00000
      2       2.1371      2.00000
      3       3.9631      2.00000
      4       3.9637      2.00000
      5       7.0373      0.00000
      6       8.8421      0.00000
      7      12.3013      0.00000
      8      12.3036      0.00000
      9      14.8590      0.00000
     10      15.2620      0.00000
     11      18.1421      0.00000
     12      19.4308      0.00000
     13      19.4436      0.00000
     14      20.2657      0.00000
     15      23.2039      0.00000
     16      23.2538      0.00000

 k-point   173 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2108      2.00000
      2       1.1452      2.00000
      3       3.4380      2.00000
      4       3.7220      2.00000
      5       7.1571      0.00000
      6       8.5180      0.00000
      7      12.5372      0.00000
      8      12.7556      0.00000
      9      16.0199      0.00000
     10      16.4050      0.00000
     11      18.3055      0.00000
     12      19.6328      0.00000
     13      20.0530      0.00000
     14      21.0648      0.00000
     15      22.1733      0.00000
     16      23.1737      0.00000

 k-point   174 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5201      2.00000
      2       0.0756      2.00000
      3       2.6865      2.00000
      4       3.6575      2.00000
      5       7.3533      0.00000
      6       9.2903      0.00000
      7      12.3688      0.00000
      8      12.5834      0.00000
      9      17.2885      0.00000
     10      17.4326      0.00000
     11      17.9947      0.00000
     12      18.3402      0.00000
     13      19.9023      0.00000
     14      21.9695      0.00000
     15      23.0117      0.00000
     16      24.6274      0.00000

 k-point   175 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8699      2.00000
      2      -0.7632      2.00000
      3       2.0850      2.00000
      4       3.7737      2.00000
      5       7.4886      0.00000
      6      10.8011      0.00000
      7      12.1652      0.00000
      8      12.2834      0.00000
      9      15.7089      0.00000
     10      15.9153      0.00000
     11      19.2313      0.00000
     12      19.4117      0.00000
     13      20.2510      0.00000
     14      23.8189      0.00000
     15      24.0089      0.00000
     16      24.4632      0.00000

 k-point   176 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9453      2.00000
      2      -0.6586      2.00000
      3       1.7786      2.00000
      4       4.0585      2.00000
      5       7.7929      0.00000
      6      11.8219      0.00000
      7      11.9369      0.00000
      8      12.8718      0.00000
      9      13.9228      0.00000
     10      14.1571      0.00000
     11      19.1830      0.00000
     12      21.3952      0.00000
     13      21.7264      0.00000
     14      22.3422      0.00000
     15      22.8842      0.00000
     16      24.0526      0.00000

 k-point   177 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6213      2.00000
      2       0.1355      2.00000
      3       1.9464      2.00000
      4       4.4782      2.00000
      5       8.2676      0.00000
      6      11.3151      0.00000
      7      11.6597      0.00000
      8      12.6526      0.00000
      9      12.7688      0.00000
     10      14.8984      0.00000
     11      19.2517      0.00000
     12      19.9544      0.00000
     13      20.5779      0.00000
     14      22.9944      0.00000
     15      23.3605      0.00000
     16      23.8440      0.00000

 k-point   178 :      -0.1818    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2880      2.00000
      2       0.7301      2.00000
      3       2.8568      2.00000
      4       4.9506      2.00000
      5       8.7639      0.00000
      6      10.3228      0.00000
      7      10.5221      0.00000
      8      12.4612      0.00000
      9      12.6114      0.00000
     10      16.3738      0.00000
     11      18.1611      0.00000
     12      18.3198      0.00000
     13      20.0847      0.00000
     14      22.1588      0.00000
     15      22.8292      0.00000
     16      23.9791      0.00000

 k-point   179 :      -0.0909   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1609      2.00000
      3       4.2169      2.00000
      4       5.2890      2.00000
      5       8.6098      0.00000
      6       9.5979      0.00000
      7       9.8484      0.00000
      8      12.7868      0.00000
      9      12.9457      0.00000
     10      15.5360      0.00000
     11      15.9187      0.00000
     12      18.9600      0.00000
     13      20.2897      0.00000
     14      22.1432      0.00000
     15      22.1824      0.00000
     16      23.9838      0.00000

 k-point   180 :       0.0000    0.0909    0.2727
  band No.  band energies     occupation 
      1      -5.2028      2.00000
      2       2.2157      2.00000
      3       4.8392      2.00000
      4       4.9729      2.00000
      5       8.5366      0.00000
      6       9.5264      0.00000
      7      10.2587      0.00000
      8      11.4969      0.00000
      9      13.9356      0.00000
     10      14.1703      0.00000
     11      15.7376      0.00000
     12      17.9739      0.00000
     13      19.9527      0.00000
     14      21.1825      0.00000
     15      23.1915      0.00000
     16      23.9274      0.00000

 k-point   181 :       0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -5.3812      2.00000
      2       2.7579      2.00000
      3       4.4430      2.00000
      4       5.6575      2.00000
      5       8.9487      0.00000
      6       9.4480      0.00000
      7       9.7098      0.00000
      8      12.0733      0.00000
      9      12.5152      0.00000
     10      14.2869      0.00000
     11      15.8403      0.00000
     12      17.4240      0.00000
     13      19.2415      0.00000
     14      21.0678      0.00000
     15      23.1345      0.00000
     16      24.6872      0.00000

 k-point   182 :       0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0309      2.00000
      3       4.1433      2.00000
      4       5.2365      2.00000
      5       8.4637      0.00000
      6       9.8968      0.00000
      7      10.5419      0.00000
      8      10.8684      0.00000
      9      13.2285      0.00000
     10      14.5228      0.00000
     11      16.3763      0.00000
     12      17.6651      0.00000
     13      18.7852      0.00000
     14      20.7161      0.00000
     15      23.1244      0.00000
     16      25.1207      0.00000

 k-point   183 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.6151      2.00000
      2       1.7362      2.00000
      3       3.4452      2.00000
      4       4.1913      2.00000
      5       7.8265      0.00000
      6       9.3626      0.00000
      7      11.1237      0.00000
      8      12.1851      0.00000
      9      14.6931      0.00000
     10      16.2442      0.00000
     11      17.7038      0.00000
     12      18.6758      0.00000
     13      20.0481      0.00000
     14      21.4957      0.00000
     15      21.6417      0.00000
     16      23.8684      0.00000

 k-point   184 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.9709      2.00000
      2       0.6212      2.00000
      3       2.8774      2.00000
      4       3.8427      2.00000
      5       8.2024      0.00000
      6       9.7447      0.00000
      7      10.7931      0.00000
      8      12.5090      0.00000
      9      15.6412      0.00000
     10      16.8792      0.00000
     11      18.1385      0.00000
     12      18.6920      0.00000
     13      20.5899      0.00000
     14      21.0629      0.00000
     15      22.7156      0.00000
     16      24.3992      0.00000

 k-point   185 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.2605      2.00000
      2      -0.4355      2.00000
      3       2.4937      2.00000
      4       3.6672      2.00000
      5       8.3279      0.00000
      6      10.3591      0.00000
      7      11.1757      0.00000
      8      12.4300      0.00000
      9      15.1897      0.00000
     10      16.9907      0.00000
     11      18.0624      0.00000
     12      19.3118      0.00000
     13      20.0716      0.00000
     14      22.7874      0.00000
     15      24.0068      0.00000
     16      24.9133      0.00000

 k-point   186 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9760      2.00000
      2      -0.8036      2.00000
      3       2.2481      2.00000
      4       3.7651      2.00000
      5       8.5401      0.00000
      6      10.1100      0.00000
      7      12.3028      0.00000
      8      12.8715      0.00000
      9      13.4049      0.00000
     10      16.3457      0.00000
     11      18.3721      0.00000
     12      19.4719      0.00000
     13      21.9353      0.00000
     14      22.3158      0.00000
     15      23.6963      0.00000
     16      24.5971      0.00000

 k-point   187 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.5218      2.00000
      2      -0.0669      2.00000
      3       2.2191      2.00000
      4       4.0850      2.00000
      5       8.9150      0.00000
      6       9.9254      0.00000
      7      11.6305      0.00000
      8      12.2451      0.00000
      9      14.7574      0.00000
     10      14.9664      0.00000
     11      18.5031      0.00000
     12      20.3753      0.00000
     13      21.0462      0.00000
     14      21.4645      0.00000
     15      23.7937      0.00000
     16      24.0794      0.00000

 k-point   188 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2301      2.00000
      2       0.9459      2.00000
      3       2.6010      2.00000
      4       4.5300      2.00000
      5       9.3810      0.00000
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      7      10.7485      0.00000
      8      11.8748      0.00000
      9      13.7122      0.00000
     10      16.6893      0.00000
     11      18.2931      0.00000
     12      18.6497      0.00000
     13      19.7434      0.00000
     14      22.0927      0.00000
     15      22.4633      0.00000
     16      25.0944      0.00000

 k-point   189 :      -0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.8122      2.00000
      2       1.6666      2.00000
      3       3.6303      2.00000
      4       4.9088      2.00000
      5       8.7143      0.00000
      6       9.7621      0.00000
      7      10.8677      0.00000
      8      10.9724      0.00000
      9      13.6281      0.00000
     10      16.1852      0.00000
     11      16.6107      0.00000
     12      18.4236      0.00000
     13      20.0296      0.00000
     14      21.5524      0.00000
     15      22.1461      0.00000
     16      24.1874      0.00000

 k-point   190 :      -0.0000    0.1818    0.2727
  band No.  band energies     occupation 
      1      -5.0820      2.00000
      2       2.5885      2.00000
      3       4.2622      2.00000
      4       4.3596      2.00000
      5       7.7230      0.00000
      6       9.8362      0.00000
      7      11.0702      0.00000
      8      11.2910      0.00000
      9      14.2541      0.00000
     10      14.8074      0.00000
     11      17.0085      0.00000
     12      18.3587      0.00000
     13      19.2757      0.00000
     14      20.5489      0.00000
     15      23.1444      0.00000
     16      23.7826      0.00000

 k-point   191 :       0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0308      2.00000
      3       4.1435      2.00000
      4       5.2365      2.00000
      5       8.4647      0.00000
      6       9.8974      0.00000
      7      10.5409      0.00000
      8      10.8680      0.00000
      9      13.2279      0.00000
     10      14.5235      0.00000
     11      16.3759      0.00000
     12      17.6655      0.00000
     13      18.7849      0.00000
     14      20.7174      0.00000
     15      23.1247      0.00000
     16      25.1180      0.00000

 k-point   192 :       0.3636    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.8121      2.00000
      2       1.6669      2.00000
      3       3.6296      2.00000
      4       4.9091      2.00000
      5       8.7133      0.00000
      6       9.7627      0.00000
      7      10.8675      0.00000
      8      10.9722      0.00000
      9      13.6282      0.00000
     10      16.1870      0.00000
     11      16.6099      0.00000
     12      18.4226      0.00000
     13      20.0299      0.00000
     14      21.5529      0.00000
     15      22.1463      0.00000
     16      24.1877      0.00000

 k-point   193 :       0.4545    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.2299      2.00000
      2       0.9460      2.00000
      3       2.6003      2.00000
      4       4.5306      2.00000
      5       9.3814      0.00000
      6       9.4939      0.00000
      7      10.7480      0.00000
      8      11.8749      0.00000
      9      13.7126      0.00000
     10      16.6903      0.00000
     11      18.2949      0.00000
     12      18.6476      0.00000
     13      19.7438      0.00000
     14      22.0923      0.00000
     15      22.4615      0.00000
     16      25.0981      0.00000

 k-point   194 :       0.5455    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5217      2.00000
      2      -0.0670      2.00000
      3       2.2185      2.00000
      4       4.0857      2.00000
      5       8.9155      0.00000
      6       9.9247      0.00000
      7      11.6294      0.00000
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      9      14.7583      0.00000
     10      14.9678      0.00000
     11      18.5018      0.00000
     12      20.3774      0.00000
     13      21.0450      0.00000
     14      21.4632      0.00000
     15      23.7914      0.00000
     16      24.0791      0.00000

 k-point   195 :       0.6364    0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.9760      2.00000
      2      -0.8037      2.00000
      3       2.2478      2.00000
      4       3.7657      2.00000
      5       8.5407      0.00000
      6      10.1094      0.00000
      7      12.3033      0.00000
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      9      13.4037      0.00000
     10      16.3464      0.00000
     11      18.3714      0.00000
     12      19.4714      0.00000
     13      21.9329      0.00000
     14      22.3181      0.00000
     15      23.6945      0.00000
     16      24.5971      0.00000

 k-point   196 :       0.7273    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.2607      2.00000
      2      -0.4356      2.00000
      3       2.4938      2.00000
      4       3.6674      2.00000
      5       8.3284      0.00000
      6      10.3585      0.00000
      7      11.1770      0.00000
      8      12.4305      0.00000
      9      15.1880      0.00000
     10      16.9902      0.00000
     11      18.0629      0.00000
     12      19.3123      0.00000
     13      20.0694      0.00000
     14      22.7887      0.00000
     15      24.0084      0.00000
     16      24.9139      0.00000

 k-point   197 :      -0.1818    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.9711      2.00000
      2       0.6210      2.00000
      3       2.8780      2.00000
      4       3.8427      2.00000
      5       8.2031      0.00000
      6       9.7456      0.00000
      7      10.7925      0.00000
      8      12.5096      0.00000
      9      15.6411      0.00000
     10      16.8780      0.00000
     11      18.1365      0.00000
     12      18.6922      0.00000
     13      20.5903      0.00000
     14      21.0635      0.00000
     15      22.7161      0.00000
     16      24.3998      0.00000

 k-point   198 :      -0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.6154      2.00000
      2       1.7356      2.00000
      3       3.4461      2.00000
      4       4.1915      2.00000
      5       7.8274      0.00000
      6       9.3628      0.00000
      7      11.1231      0.00000
      8      12.1856      0.00000
      9      14.6935      0.00000
     10      16.2426      0.00000
     11      17.7034      0.00000
     12      18.6770      0.00000
     13      20.0476      0.00000
     14      21.4956      0.00000
     15      21.6410      0.00000
     16      23.8602      0.00000

 k-point   199 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.7467      2.00000
      2       2.1362      2.00000
      3       3.9640      2.00000
      4       3.9642      2.00000
      5       7.0382      0.00000
      6       8.8420      0.00000
      7      12.3020      0.00000
      8      12.3025      0.00000
      9      14.8579      0.00000
     10      15.2633      0.00000
     11      18.1410      0.00000
     12      19.4319      0.00000
     13      19.4431      0.00000
     14      20.2660      0.00000
     15      23.2109      0.00000
     16      23.2501      0.00000

 k-point   200 :       0.3636    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1611      2.00000
      3       4.2162      2.00000
      4       5.2895      2.00000
      5       8.6100      0.00000
      6       9.5981      0.00000
      7       9.8477      0.00000
      8      12.7870      0.00000
      9      12.9455      0.00000
     10      15.5350      0.00000
     11      15.9205      0.00000
     12      18.9597      0.00000
     13      20.2905      0.00000
     14      22.1434      0.00000
     15      22.1815      0.00000
     16      23.9832      0.00000

 k-point   201 :       0.4545    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.2880      2.00000
      2       0.7302      2.00000
      3       2.8561      2.00000
      4       4.9512      2.00000
      5       8.7646      0.00000
      6      10.3226      0.00000
      7      10.5215      0.00000
      8      12.4615      0.00000
      9      12.6110      0.00000
     10      16.3740      0.00000
     11      18.1615      0.00000
     12      18.3209      0.00000
     13      20.0839      0.00000
     14      22.1579      0.00000
     15      22.8284      0.00000
     16      23.9777      0.00000

 k-point   202 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6212      2.00000
      2       0.1354      2.00000
      3       1.9458      2.00000
      4       4.4788      2.00000
      5       8.2684      0.00000
      6      11.3151      0.00000
      7      11.6590      0.00000
      8      12.6524      0.00000
      9      12.7690      0.00000
     10      14.9001      0.00000
     11      19.2491      0.00000
     12      19.9531      0.00000
     13      20.5801      0.00000
     14      22.9917      0.00000
     15      23.3739      0.00000
     16      23.8437      0.00000

 k-point   203 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.9454      2.00000
      2      -0.6589      2.00000
      3       1.7782      2.00000
      4       4.0592      2.00000
      5       7.7937      0.00000
      6      11.8229      0.00000
      7      11.9362      0.00000
      8      12.8732      0.00000
      9      13.9218      0.00000
     10      14.1576      0.00000
     11      19.1811      0.00000
     12      21.3927      0.00000
     13      21.7255      0.00000
     14      22.3414      0.00000
     15      22.8852      0.00000
     16      24.0547      0.00000

 k-point   204 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.8702      2.00000
      2      -0.7634      2.00000
      3       2.0849      2.00000
      4       3.7744      2.00000
      5       7.4892      0.00000
      6      10.8027      0.00000
      7      12.1663      0.00000
      8      12.2827      0.00000
      9      15.7072      0.00000
     10      15.9161      0.00000
     11      19.2300      0.00000
     12      19.4102      0.00000
     13      20.2502      0.00000
     14      23.8197      0.00000
     15      24.0084      0.00000
     16      24.4640      0.00000

 k-point   205 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5204      2.00000
      2       0.0752      2.00000
      3       2.6868      2.00000
      4       3.6581      2.00000
      5       7.3539      0.00000
      6       9.2915      0.00000
      7      12.3690      0.00000
      8      12.5835      0.00000
      9      17.2873      0.00000
     10      17.4320      0.00000
     11      17.9942      0.00000
     12      18.3398      0.00000
     13      19.9019      0.00000
     14      21.9689      0.00000
     15      23.0128      0.00000
     16      24.6281      0.00000

 k-point   206 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.2111      2.00000
      2       1.1444      2.00000
      3       3.4388      2.00000
      4       3.7226      2.00000
      5       7.1579      0.00000
      6       8.5185      0.00000
      7      12.5373      0.00000
      8      12.7555      0.00000
      9      16.0198      0.00000
     10      16.4045      0.00000
     11      18.3047      0.00000
     12      19.6325      0.00000
     13      20.0527      0.00000
     14      21.0643      0.00000
     15      22.1732      0.00000
     16      23.1742      0.00000

 k-point   207 :       0.3636    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.5704      2.00000
      2       0.6644      2.00000
      3       4.6271      2.00000
      4       4.6846      2.00000
      5       8.4494      0.00000
      6       9.3407      0.00000
      7      10.2520      0.00000
      8      12.1163      0.00000
      9      15.0411      0.00000
     10      15.1329      0.00000
     11      15.9626      0.00000
     12      19.7127      0.00000
     13      19.9217      0.00000
     14      21.3751      0.00000
     15      23.1044      0.00000
     16      23.5375      0.00000

 k-point   208 :       0.4545    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2764      2.00000
      3       3.4091      2.00000
      4       4.5693      2.00000
      5       8.8721      0.00000
      6       9.4304      0.00000
      7      10.9282      0.00000
      8      11.7189      0.00000
      9      14.8395      0.00000
     10      16.0412      0.00000
     11      18.0031      0.00000
     12      18.1441      0.00000
     13      20.4896      0.00000
     14      21.4893      0.00000
     15      22.9882      0.00000
     16      24.0095      0.00000

 k-point   209 :       0.5455    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.5498      2.00000
      2      -0.0722      2.00000
      3       2.2490      2.00000
      4       4.1062      2.00000
      5       8.9384      0.00000
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      7      11.5496      0.00000
      8      12.3218      0.00000
      9      14.6840      0.00000
     10      14.9909      0.00000
     11      18.6268      0.00000
     12      20.4735      0.00000
     13      20.8472      0.00000
     14      21.3468      0.00000
     15      23.6441      0.00000
     16      24.0553      0.00000

 k-point   210 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.8550      2.00000
      2      -0.5987      2.00000
      3       1.6502      2.00000
      4       3.6306      2.00000
      5       8.4041      0.00000
      6      11.1542      0.00000
      7      11.9749      0.00000
      8      12.8457      0.00000
      9      13.7851      0.00000
     10      14.9575      0.00000
     11      20.3695      0.00000
     12      20.8303      0.00000
     13      20.9525      0.00000
     14      22.8826      0.00000
     15      22.9143      0.00000
     16      24.0338      0.00000

 k-point   211 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.4172      2.00000
      2      -1.0463      2.00000
      3       1.7542      2.00000
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     10      16.3280      0.00000
     11      19.2921      0.00000
     12      20.4699      0.00000
     13      22.0423      0.00000
     14      22.5189      0.00000
     15      23.5925      0.00000
     16      24.4626      0.00000

 k-point   212 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9036      2.00000
      2      -0.5387      2.00000
      3       2.3015      2.00000
      4       3.1902      2.00000
      5       7.7789      0.00000
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     10      17.3473      0.00000
     11      18.3036      0.00000
     12      20.3703      0.00000
     13      20.7327      0.00000
     14      21.4137      0.00000
     15      23.2749      0.00000
     16      23.9448      0.00000

 k-point   213 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.6189      2.00000
      2       0.3144      2.00000
      3       2.9707      2.00000
      4       3.3837      2.00000
      5       7.4326      0.00000
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     10      17.6860      0.00000
     11      18.3425      0.00000
     12      19.4477      0.00000
     13      20.3985      0.00000
     14      20.9619      0.00000
     15      22.5222      0.00000
     16      23.0459      0.00000

 k-point   214 :       0.3636    0.4545    0.2727
  band No.  band energies     occupation 
      1      -4.1460      2.00000
      2       0.2766      2.00000
      3       3.4099      2.00000
      4       4.5684      2.00000
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     10      16.0419      0.00000
     11      18.0017      0.00000
     12      18.1432      0.00000
     13      20.4915      0.00000
     14      21.4905      0.00000
     15      22.9897      0.00000
     16      24.0097      0.00000

 k-point   215 :       0.4545    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.8145      2.00000
      2      -0.1176      2.00000
      3       3.2881      2.00000
      4       4.1819      2.00000
      5       8.0303      0.00000
      6      10.6019      0.00000
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      9      16.1056      0.00000
     10      17.0380      0.00000
     11      17.9099      0.00000
     12      17.9866      0.00000
     13      19.0623      0.00000
     14      22.3005      0.00000
     15      23.9653      0.00000
     16      24.1087      0.00000

 k-point   216 :      -0.4545   -0.5455   -0.7273
  band No.  band energies     occupation 
      1      -3.3167      2.00000
      2      -0.4225      2.00000
      3       2.5023      2.00000
      4       3.7381      2.00000
      5       8.4022      0.00000
      6      10.3926      0.00000
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      9      15.2622      0.00000
     10      16.9107      0.00000
     11      17.9994      0.00000
     12      19.2510      0.00000
     13      20.2099      0.00000
     14      22.6042      0.00000
     15      23.9590      0.00000
     16      24.7799      0.00000

 k-point   217 :      -0.3636   -0.5455   -0.7273
  band No.  band energies     occupation 
      1      -2.6958      2.00000
      2      -0.7636      2.00000
      3       1.9070      2.00000
      4       3.0571      2.00000
      5       9.5862      0.00000
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      8      13.1257      0.00000
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     10      16.8869      0.00000
     11      18.8985      0.00000
     12      20.2375      0.00000
     13      21.7063      0.00000
     14      22.7203      0.00000
     15      23.2137      0.00000
     16      24.7477      0.00000

 k-point   218 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
      1      -2.0475      2.00000
      2      -1.2891      2.00000
      3       1.8333      2.00000
      4       2.5535      2.00000
      5       9.4071      0.00000
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     10      16.9643      0.00000
     11      19.0214      0.00000
     12      20.2291      0.00000
     13      21.8999      0.00000
     14      22.9488      0.00000
     15      24.4167      0.00000
     16      24.6082      0.00000

 k-point   219 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
      1      -2.1940      2.00000
      2      -1.1829      2.00000
      3       2.1179      2.00000
      4       2.5273      2.00000
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     10      17.2906      0.00000
     11      18.6752      0.00000
     12      20.0843      0.00000
     13      21.8401      0.00000
     14      22.9283      0.00000
     15      23.2084      0.00000
     16      24.4320      0.00000

 k-point   220 :       0.3636    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.5499      2.00000
      2      -0.0717      2.00000
      3       2.2497      2.00000
      4       4.1054      2.00000
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     10      14.9894      0.00000
     11      18.6286      0.00000
     12      20.4720      0.00000
     13      20.8497      0.00000
     14      21.3491      0.00000
     15      23.6444      0.00000
     16      24.0570      0.00000

 k-point   221 :      -0.5455   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -3.3168      2.00000
      2      -0.4223      2.00000
      3       2.5027      2.00000
      4       3.7379      2.00000
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     10      16.9116      0.00000
     11      18.0014      0.00000
     12      19.2527      0.00000
     13      20.2081      0.00000
     14      22.6064      0.00000
     15      23.9596      0.00000
     16      24.7815      0.00000

 k-point   222 :      -0.4545   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -2.9526      2.00000
      2      -0.7201      2.00000
      3       2.0867      2.00000
      4       3.8500      2.00000
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     10      15.8148      0.00000
     11      19.3036      0.00000
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     13      20.1981      0.00000
     14      23.8422      0.00000
     15      23.8794      0.00000
     16      24.3329      0.00000

 k-point   223 :      -0.3636   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -2.5159      2.00000
      2      -0.9738      2.00000
      3       1.7564      2.00000
      4       3.3452      2.00000
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     10      16.4057      0.00000
     11      19.3905      0.00000
     12      20.4852      0.00000
     13      21.9369      0.00000
     14      22.3476      0.00000
     15      23.4569      0.00000
     16      24.5336      0.00000

 k-point   224 :      -0.2727   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -2.1146      2.00000
      2      -1.2310      2.00000
      3       1.8313      2.00000
      4       2.5702      2.00000
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     10      17.0169      0.00000
     11      19.0595      0.00000
     12      20.1713      0.00000
     13      21.8642      0.00000
     14      22.9273      0.00000
     15      24.4522      0.00000
     16      24.5407      0.00000

 k-point   225 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.8551      2.00000
      2      -0.5979      2.00000
      3       1.6507      2.00000
      4       3.6299      2.00000
      5       8.4024      0.00000
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     10      14.9586      0.00000
     11      20.3720      0.00000
     12      20.8329      0.00000
     13      20.9549      0.00000
     14      22.8814      0.00000
     15      22.9157      0.00000
     16      24.0334      0.00000

 k-point   226 :      -0.5455   -0.3636   -0.7273
  band No.  band energies     occupation 
      1      -2.6959      2.00000
      2      -0.7632      2.00000
      3       1.9074      2.00000
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     10      16.8883      0.00000
     11      18.9009      0.00000
     12      20.2392      0.00000
     13      21.7091      0.00000
     14      22.7188      0.00000
     15      23.2151      0.00000
     16      24.7479      0.00000

 k-point   227 :      -0.4545   -0.3636   -0.7273
  band No.  band energies     occupation 
      1      -2.5159      2.00000
      2      -0.9737      2.00000
      3       1.7565      2.00000
      4       3.3454      2.00000
      5       8.1092      0.00000
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     10      16.4080      0.00000
     11      19.3923      0.00000
     12      20.4861      0.00000
     13      21.9386      0.00000
     14      22.3464      0.00000
     15      23.4577      0.00000
     16      24.5314      0.00000

 k-point   228 :      -0.3636   -0.3636   -0.7273
  band No.  band energies     occupation 
      1      -2.4292      2.00000
      2      -1.0647      2.00000
      3       1.5784      2.00000
      4       3.7351      2.00000
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     10      14.4016      0.00000
     11      21.0781      0.00000
     12      21.3190      0.00000
     13      21.8445      0.00000
     14      21.8505      0.00000
     15      22.0686      0.00000
     16      23.7007      0.00000

 k-point   229 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.4172      2.00000
      2      -1.0455      2.00000
      3       1.7544      2.00000
      4       3.3008      2.00000
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     10      16.3295      0.00000
     11      19.2946      0.00000
     12      20.4721      0.00000
     13      22.0436      0.00000
     14      22.5192      0.00000
     15      23.5947      0.00000
     16      24.4621      0.00000

 k-point   230 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.0475      2.00000
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      3       1.8335      2.00000
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     10      16.9659      0.00000
     11      19.0237      0.00000
     12      20.2312      0.00000
     13      21.9020      0.00000
     14      22.9506      0.00000
     15      24.4165      0.00000
     16      24.6090      0.00000

 k-point   231 :      -0.4545   -0.2727   -0.7273
  band No.  band energies     occupation 
      1      -2.1144      2.00000
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      3       1.8313      2.00000
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     10      17.0193      0.00000
     11      19.0616      0.00000
     12      20.1736      0.00000
     13      21.8652      0.00000
     14      22.9292      0.00000
     15      24.4509      0.00000
     16      24.5411      0.00000

 k-point   232 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.9033      2.00000
      2      -0.5381      2.00000
      3       2.3013      2.00000
      4       3.1896      2.00000
      5       7.7775      0.00000
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     10      17.3492      0.00000
     11      18.3052      0.00000
     12      20.3704      0.00000
     13      20.7339      0.00000
     14      21.4152      0.00000
     15      23.2749      0.00000
     16      23.9456      0.00000

 k-point   233 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.1936      2.00000
      2      -1.1825      2.00000
      3       2.1177      2.00000
      4       2.5272      2.00000
      5       9.0522      0.00000
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     10      17.2927      0.00000
     11      18.6768      0.00000
     12      20.0861      0.00000
     13      21.8415      0.00000
     14      22.9277      0.00000
     15      23.2101      0.00000
     16      24.4320      0.00000

 k-point   234 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6185      2.00000
      2       0.3150      2.00000
      3       2.9701      2.00000
      4       3.3832      2.00000
      5       7.4314      0.00000
      6       8.2609      0.00000
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     10      17.6854      0.00000
     11      18.3418      0.00000
     12      19.4489      0.00000
     13      20.4000      0.00000
     14      20.9632      0.00000
     15      22.5224      0.00000
     16      23.0468      0.00000

 k-point   235 :      -0.0000   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.4419      2.00000
      2       0.1828      2.00000
      3       5.0116      2.00000
      4       5.0139      2.00000
      5       7.9016      0.00000
      6       9.4823      0.00000
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     10      14.5949      0.00000
     11      15.7872      0.00000
     12      20.0094      0.00000
     13      20.2438      0.00000
     14      20.2672      0.00000
     15      22.9140      0.00000
     16      24.4838      0.00000

 k-point   236 :       0.0909    0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.5775      2.00000
      2       0.6858      2.00000
      3       4.5936      2.00000
      4       4.6588      2.00000
      5       8.4280      0.00000
      6       9.4888      0.00000
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     10      15.1134      0.00000
     11      15.8627      0.00000
     12      19.5858      0.00000
     13      19.8314      0.00000
     14      21.3592      0.00000
     15      23.0444      0.00000
     16      23.6392      0.00000

 k-point   237 :       0.1818    0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.5084      2.00000
      2       1.1824      2.00000
      3       3.7335      2.00000
      4       4.1656      2.00000
      5       7.9559      0.00000
      6      10.2161      0.00000
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      8      11.3614      0.00000
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     10      16.0213      0.00000
     11      16.7648      0.00000
     12      19.4430      0.00000
     13      19.5613      0.00000
     14      21.2950      0.00000
     15      22.1824      0.00000
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 k-point   238 :       0.2727    0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.2319      2.00000
      2       1.1764      2.00000
      3       3.3871      2.00000
      4       3.7340      2.00000
      5       7.1822      0.00000
      6       8.5754      0.00000
      7      12.6915      0.00000
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      9      16.0140      0.00000
     10      16.2760      0.00000
     11      18.3467      0.00000
     12      19.4603      0.00000
     13      20.0161      0.00000
     14      20.9939      0.00000
     15      22.0121      0.00000
     16      22.9707      0.00000

 k-point   239 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7552      2.00000
      2       0.4885      2.00000
      3       3.4470      2.00000
      4       3.4477      2.00000
      5       6.6651      0.00000
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      8      13.9999      0.00000
      9      16.3949      0.00000
     10      16.8421      0.00000
     11      19.3756      0.00000
     12      19.3968      0.00000
     13      19.8208      0.00000
     14      21.6607      0.00000
     15      21.9134      0.00000
     16      22.9430      0.00000

 k-point   240 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1050      2.00000
      2      -0.3617      2.00000
      3       2.9090      2.00000
      4       3.3379      2.00000
      5       6.8692      0.00000
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      7      14.2228      0.00000
      8      14.3285      0.00000
      9      17.6006      0.00000
     10      17.8994      0.00000
     11      18.0724      0.00000
     12      18.4552      0.00000
     13      20.8199      0.00000
     14      21.2366      0.00000
     15      21.8652      0.00000
     16      24.1118      0.00000

 k-point   241 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3951      2.00000
      2      -1.1101      2.00000
      3       2.0965      2.00000
      4       3.4133      2.00000
      5       7.0363      0.00000
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      9      15.9592      0.00000
     10      16.1598      0.00000
     11      19.5276      0.00000
     12      20.2018      0.00000
     13      21.3777      0.00000
     14      21.5350      0.00000
     15      22.3024      0.00000
     16      24.5624      0.00000

 k-point   242 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3525      2.00000
      2      -1.1143      2.00000
      3       1.5856      2.00000
      4       3.6668      2.00000
      5       7.3259      0.00000
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     10      14.3716      0.00000
     11      21.0796      0.00000
     12      21.3132      0.00000
     13      21.7229      0.00000
     14      21.9598      0.00000
     15      22.1578      0.00000
     16      23.8147      0.00000

 k-point   243 :      -0.2727   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.9884      2.00000
      2      -0.6317      2.00000
      3       1.7914      2.00000
      4       4.0716      2.00000
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     10      14.0047      0.00000
     11      19.3821      0.00000
     12      21.2337      0.00000
     13      21.5179      0.00000
     14      22.2295      0.00000
     15      22.9931      0.00000
     16      24.2311      0.00000

 k-point   244 :      -0.1818    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.6139      2.00000
      2      -0.4031      2.00000
      3       2.7814      2.00000
      4       4.5590      2.00000
      5       8.3770      0.00000
      6      10.4818      0.00000
      7      10.5894      0.00000
      8      13.7630      0.00000
      9      13.9636      0.00000
     10      14.9028      0.00000
     11      17.6015      0.00000
     12      20.2335      0.00000
     13      20.8780      0.00000
     14      21.3375      0.00000
     15      22.6688      0.00000
     16      25.0135      0.00000

 k-point   245 :      -0.0909    0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.1129      2.00000
      2      -0.1809      2.00000
      3       4.0940      2.00000
      4       4.9629      2.00000
      5       8.3976      0.00000
      6       9.6155      0.00000
      7       9.6762      0.00000
      8      13.8710      0.00000
      9      14.1106      0.00000
     10      15.3787      0.00000
     11      17.6132      0.00000
     12      18.1414      0.00000
     13      20.4414      0.00000
     14      20.8532      0.00000
     15      22.9761      0.00000
     16      24.3468      0.00000

 k-point   246 :      -0.0000    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.5776      2.00000
      2       0.6859      2.00000
      3       4.5932      2.00000
      4       4.6593      2.00000
      5       8.4286      0.00000
      6       9.4877      0.00000
      7      10.1811      0.00000
      8      12.3095      0.00000
      9      14.9792      0.00000
     10      15.1132      0.00000
     11      15.8617      0.00000
     12      19.5859      0.00000
     13      19.8306      0.00000
     14      21.3588      0.00000
     15      23.0456      0.00000
     16      23.6393      0.00000

 k-point   247 :       0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.8071      2.00000
      2       1.1807      2.00000
      3       4.1657      2.00000
      4       5.2913      2.00000
      5       8.6599      0.00000
      6       9.7096      0.00000
      7       9.7854      0.00000
      8      12.9697      0.00000
      9      12.9921      0.00000
     10      15.4898      0.00000
     11      15.6891      0.00000
     12      18.8738      0.00000
     13      20.1918      0.00000
     14      22.0835      0.00000
     15      22.1786      0.00000
     16      24.1311      0.00000

 k-point   248 :       0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.8264      2.00000
      2       1.6848      2.00000
      3       3.5934      2.00000
      4       4.9102      2.00000
      5       8.7957      0.00000
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      7      10.8529      0.00000
      8      11.0487      0.00000
      9      13.7971      0.00000
     10      15.9870      0.00000
     11      16.5196      0.00000
     12      18.4146      0.00000
     13      19.9411      0.00000
     14      21.3810      0.00000
     15      22.1532      0.00000
     16      24.3636      0.00000

 k-point   249 :       0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.6329      2.00000
      2       1.7569      2.00000
      3       3.4236      2.00000
      4       4.1779      2.00000
      5       7.8713      0.00000
      6       9.4180      0.00000
      7      11.2073      0.00000
      8      12.2240      0.00000
      9      14.7595      0.00000
     10      16.1120      0.00000
     11      17.6497      0.00000
     12      18.7067      0.00000
     13      19.9116      0.00000
     14      21.4298      0.00000
     15      21.4306      0.00000
     16      23.8721      0.00000

 k-point   250 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6425      2.00000
      2       0.3485      2.00000
      3       2.9589      2.00000
      4       3.3633      2.00000
      5       7.4548      0.00000
      6       8.2991      0.00000
      7      12.5277      0.00000
      8      13.9594      0.00000
      9      16.3472      0.00000
     10      17.4932      0.00000
     11      18.1536      0.00000
     12      19.4594      0.00000
     13      20.3590      0.00000
     14      21.0492      0.00000
     15      22.4795      0.00000
     16      23.1292      0.00000

 k-point   251 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9284      2.00000
      2      -0.5113      2.00000
      3       2.3202      2.00000
      4       3.1552      2.00000
      5       7.8086      0.00000
      6       9.1225      0.00000
      7      12.1639      0.00000
      8      14.2296      0.00000
      9      15.4905      0.00000
     10      17.5520      0.00000
     11      18.4768      0.00000
     12      20.1129      0.00000
     13      20.6208      0.00000
     14      21.4054      0.00000
     15      23.3607      0.00000
     16      24.0433      0.00000

 k-point   252 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4306      2.00000
      2      -1.0369      2.00000
      3       1.7706      2.00000
      4       3.2837      2.00000
      5       8.0203      0.00000
      6      10.7229      0.00000
      7      11.8710      0.00000
      8      13.4615      0.00000
      9      14.1422      0.00000
     10      16.4946      0.00000
     11      19.5577      0.00000
     12      20.3665      0.00000
     13      21.7589      0.00000
     14      22.3653      0.00000
     15      23.6700      0.00000
     16      24.6325      0.00000

 k-point   253 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.8540      2.00000
      2      -0.5992      2.00000
      3       1.6502      2.00000
      4       3.6314      2.00000
      5       8.4018      0.00000
      6      11.1786      0.00000
      7      11.9490      0.00000
      8      12.8403      0.00000
      9      13.7698      0.00000
     10      14.9784      0.00000
     11      20.3496      0.00000
     12      20.7513      0.00000
     13      21.0366      0.00000
     14      22.8690      0.00000
     15      22.9673      0.00000
     16      24.0369      0.00000

 k-point   254 :      -0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.5500      2.00000
      2      -0.0574      2.00000
      3       2.2237      2.00000
      4       4.1184      2.00000
      5       8.9266      0.00000
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      7      11.7259      0.00000
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      9      14.5407      0.00000
     10      14.9901      0.00000
     11      18.6703      0.00000
     12      20.4536      0.00000
     13      20.6642      0.00000
     14      21.2690      0.00000
     15      23.8867      0.00000
     16      24.3067      0.00000

 k-point   255 :      -0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.1496      2.00000
      2       0.2980      2.00000
      3       3.3737      2.00000
      4       4.5721      2.00000
      5       8.7768      0.00000
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      7      10.9735      0.00000
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     10      16.0615      0.00000
     11      18.0084      0.00000
     12      18.1388      0.00000
     13      20.2433      0.00000
     14      21.4654      0.00000
     15      23.0135      0.00000
     16      24.2341      0.00000

 k-point   256 :      -0.0000    0.1818    0.3636
  band No.  band energies     occupation 
      1      -4.5086      2.00000
      2       1.1823      2.00000
      3       3.7334      2.00000
      4       4.1661      2.00000
      5       7.9565      0.00000
      6      10.2170      0.00000
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      8      11.3620      0.00000
      9      15.6093      0.00000
     10      16.0200      0.00000
     11      16.7645      0.00000
     12      19.4431      0.00000
     13      19.5610      0.00000
     14      21.2944      0.00000
     15      22.1827      0.00000
     16      23.5079      0.00000

 k-point   257 :       0.0909    0.1818    0.3636
  band No.  band energies     occupation 
      1      -4.8265      2.00000
      2       1.6847      2.00000
      3       3.5936      2.00000
      4       4.9101      2.00000
      5       8.7967      0.00000
      6       9.7842      0.00000
      7      10.8530      0.00000
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     10      15.9871      0.00000
     11      16.5193      0.00000
     12      18.4146      0.00000
     13      19.9411      0.00000
     14      21.3813      0.00000
     15      22.1530      0.00000
     16      24.3624      0.00000

 k-point   258 :       0.1818    0.1818    0.3636
  band No.  band energies     occupation 
      1      -4.9337      2.00000
      2       1.9781      2.00000
      3       3.2799      2.00000
      4       5.3873      2.00000
      5       9.1775      0.00000
      6       9.9380      0.00000
      7      10.1912      0.00000
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     10      16.0841      0.00000
     11      16.7608      0.00000
     12      17.8084      0.00000
     13      19.7993      0.00000
     14      21.0549      0.00000
     15      22.6596      0.00000
     16      25.0126      0.00000

 k-point   259 :       0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.9938      2.00000
      2       0.6365      2.00000
      3       2.8487      2.00000
      4       3.8875      2.00000
      5       8.1753      0.00000
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      8      12.6453      0.00000
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     10      16.9773      0.00000
     11      18.2269      0.00000
     12      18.7050      0.00000
     13      20.2267      0.00000
     14      20.9930      0.00000
     15      22.5649      0.00000
     16      24.5732      0.00000

 k-point   260 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.3218      2.00000
      2      -0.0574      2.00000
      3       2.1788      2.00000
      4       3.3831      2.00000
      5       9.1495      0.00000
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      7      10.4464      0.00000
      8      13.8395      0.00000
      9      15.1499      0.00000
     10      15.7369      0.00000
     11      19.7407      0.00000
     12      20.1929      0.00000
     13      20.5155      0.00000
     14      20.8943      0.00000
     15      23.0587      0.00000
     16      24.3563      0.00000

 k-point   261 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6481      2.00000
      2      -0.7980      2.00000
      3       1.9117      2.00000
      4       3.0283      2.00000
      5       9.5038      0.00000
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     10      17.0187      0.00000
     11      18.9810      0.00000
     12      20.0915      0.00000
     13      21.6928      0.00000
     14      22.6988      0.00000
     15      23.2759      0.00000
     16      24.9065      0.00000

 k-point   262 :       0.7273    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6483      2.00000
      2      -0.7980      2.00000
      3       1.9120      2.00000
      4       3.0281      2.00000
      5       9.5043      0.00000
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      7      11.1815      0.00000
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     10      17.0181      0.00000
     11      18.9820      0.00000
     12      20.0918      0.00000
     13      21.6938      0.00000
     14      22.6969      0.00000
     15      23.2759      0.00000
     16      24.9091      0.00000

 k-point   263 :      -0.1818    0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.3220      2.00000
      2      -0.0577      2.00000
      3       2.1795      2.00000
      4       3.3829      2.00000
      5       9.1505      0.00000
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      7      10.4461      0.00000
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     10      15.7365      0.00000
     11      19.7425      0.00000
     12      20.1925      0.00000
     13      20.5149      0.00000
     14      20.8943      0.00000
     15      23.0595      0.00000
     16      24.3553      0.00000

 k-point   264 :      -0.0909    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.9940      2.00000
      2       0.6361      2.00000
      3       2.8492      2.00000
      4       3.8877      2.00000
      5       8.1762      0.00000
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     10      16.9762      0.00000
     11      18.2249      0.00000
     12      18.7054      0.00000
     13      20.2272      0.00000
     14      20.9932      0.00000
     15      22.5654      0.00000
     16      24.5734      0.00000

 k-point   265 :      -0.0000    0.2727    0.3636
  band No.  band energies     occupation 
      1      -4.2322      2.00000
      2       1.1757      2.00000
      3       3.3878      2.00000
      4       3.7345      2.00000
      5       7.1831      0.00000
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      8      12.7874      0.00000
      9      16.0150      0.00000
     10      16.2745      0.00000
     11      18.3460      0.00000
     12      19.4601      0.00000
     13      20.0158      0.00000
     14      20.9934      0.00000
     15      22.0117      0.00000
     16      22.9706      0.00000

 k-point   266 :       0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -4.6332      2.00000
      2       1.7565      2.00000
      3       3.4240      2.00000
      4       4.1781      2.00000
      5       7.8724      0.00000
      6       9.4183      0.00000
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      8      12.2229      0.00000
      9      14.7587      0.00000
     10      16.1126      0.00000
     11      17.6491      0.00000
     12      18.7069      0.00000
     13      19.9111      0.00000
     14      21.4298      0.00000
     15      21.4306      0.00000
     16      23.8717      0.00000

 k-point   267 :       0.4545    0.2727    0.3636
  band No.  band energies     occupation 
      1      -4.1495      2.00000
      2       0.2982      2.00000
      3       3.3732      2.00000
      4       4.5723      2.00000
      5       8.7759      0.00000
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      7      10.9732      0.00000
      8      11.8964      0.00000
      9      14.6740      0.00000
     10      16.0614      0.00000
     11      18.0104      0.00000
     12      18.1398      0.00000
     13      20.2429      0.00000
     14      21.4646      0.00000
     15      23.0118      0.00000
     16      24.2328      0.00000

 k-point   268 :       0.5455    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.5500      2.00000
      2      -0.0573      2.00000
      3       2.2230      2.00000
      4       4.1189      2.00000
      5       8.9272      0.00000
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      9      14.5415      0.00000
     10      14.9917      0.00000
     11      18.6689      0.00000
     12      20.4553      0.00000
     13      20.6637      0.00000
     14      21.2678      0.00000
     15      23.8855      0.00000
     16      24.3057      0.00000

 k-point   269 :       0.6364    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.8540      2.00000
      2      -0.5993      2.00000
      3       1.6497      2.00000
      4       3.6321      2.00000
      5       8.4024      0.00000
      6      11.1776      0.00000
      7      11.9480      0.00000
      8      12.8420      0.00000
      9      13.7701      0.00000
     10      14.9795      0.00000
     11      20.3473      0.00000
     12      20.7504      0.00000
     13      21.0358      0.00000
     14      22.8699      0.00000
     15      22.9675      0.00000
     16      24.0326      0.00000

 k-point   270 :       0.7273    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.4308      2.00000
      2      -1.0372      2.00000
      3       1.7706      2.00000
      4       3.2844      2.00000
      5       8.0209      0.00000
      6      10.7242      0.00000
      7      11.8704      0.00000
      8      13.4602      0.00000
      9      14.1426      0.00000
     10      16.4956      0.00000
     11      19.5574      0.00000
     12      20.3654      0.00000
     13      21.7586      0.00000
     14      22.3635      0.00000
     15      23.6687      0.00000
     16      24.6312      0.00000

 k-point   271 :       0.8182    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9288      2.00000
      2      -0.5118      2.00000
      3       2.3208      2.00000
      4       3.1557      2.00000
      5       7.8093      0.00000
      6       9.1237      0.00000
      7      12.1632      0.00000
      8      14.2305      0.00000
      9      15.4887      0.00000
     10      17.5522      0.00000
     11      18.4780      0.00000
     12      20.1112      0.00000
     13      20.6201      0.00000
     14      21.4064      0.00000
     15      23.3593      0.00000
     16      24.0434      0.00000

 k-point   272 :      -0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.6429      2.00000
      2       0.3478      2.00000
      3       2.9597      2.00000
      4       3.3638      2.00000
      5       7.4558      0.00000
      6       8.2997      0.00000
      7      12.5270      0.00000
      8      13.9603      0.00000
      9      16.3480      0.00000
     10      17.4915      0.00000
     11      18.1517      0.00000
     12      19.4604      0.00000
     13      20.3586      0.00000
     14      21.0495      0.00000
     15      22.4790      0.00000
     16      23.1288      0.00000

 k-point   273 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.7557      2.00000
      2       0.4876      2.00000
      3       3.4480      2.00000
      4       3.4484      2.00000
      5       6.6662      0.00000
      6       7.6784      0.00000
      7      13.9960      0.00000
      8      13.9987      0.00000
      9      16.3958      0.00000
     10      16.8414      0.00000
     11      19.3763      0.00000
     12      19.3954      0.00000
     13      19.8195      0.00000
     14      21.6617      0.00000
     15      21.9137      0.00000
     16      22.9441      0.00000

 k-point   274 :       0.4545    0.3636    0.3636
  band No.  band energies     occupation 
      1      -4.1130      2.00000
      2      -0.1806      2.00000
      3       4.0932      2.00000
      4       4.9635      2.00000
      5       8.3979      0.00000
      6       9.6148      0.00000
      7       9.6762      0.00000
      8      13.8711      0.00000
      9      14.1102      0.00000
     10      15.3782      0.00000
     11      17.6151      0.00000
     12      18.1431      0.00000
     13      20.4409      0.00000
     14      20.8518      0.00000
     15      22.9749      0.00000
     16      24.3450      0.00000

 k-point   275 :       0.5455    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.6140      2.00000
      2      -0.4029      2.00000
      3       2.7806      2.00000
      4       4.5596      2.00000
      5       8.3778      0.00000
      6      10.4805      0.00000
      7      10.5900      0.00000
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      9      13.9627      0.00000
     10      14.9042      0.00000
     11      17.6007      0.00000
     12      20.2357      0.00000
     13      20.8772      0.00000
     14      21.3356      0.00000
     15      22.6665      0.00000
     16      25.0132      0.00000

 k-point   276 :       0.6364    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2      -0.6317      2.00000
      3       1.7908      2.00000
      4       4.0723      2.00000
      5       7.8101      0.00000
      6      11.9043      0.00000
      7      12.0244      0.00000
      8      12.9651      0.00000
      9      13.8155      0.00000
     10      14.0038      0.00000
     11      19.3803      0.00000
     12      21.2332      0.00000
     13      21.5155      0.00000
     14      22.2281      0.00000
     15      22.9949      0.00000
     16      24.2297      0.00000

 k-point   277 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3529      2.00000
      2      -1.1145      2.00000
      3       1.5855      2.00000
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     10      14.3721      0.00000
     11      21.0780      0.00000
     12      21.3118      0.00000
     13      21.7210      0.00000
     14      21.9581      0.00000
     15      22.1573      0.00000
     16      23.8136      0.00000

 k-point   278 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3956      2.00000
      2      -1.1107      2.00000
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     10      16.1608      0.00000
     11      19.5265      0.00000
     12      20.2015      0.00000
     13      21.3767      0.00000
     14      21.5345      0.00000
     15      22.3019      0.00000
     16      24.5602      0.00000

 k-point   279 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.1054      2.00000
      2      -0.3625      2.00000
      3       2.9099      2.00000
      4       3.3385      2.00000
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      9      17.6002      0.00000
     10      17.8983      0.00000
     11      18.0727      0.00000
     12      18.4549      0.00000
     13      20.8194      0.00000
     14      21.2362      0.00000
     15      21.8645      0.00000
     16      24.1130      0.00000

 k-point   280 :       0.4545    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.8986      2.00000
      2      -0.5357      2.00000
      3       4.3165      2.00000
      4       4.6406      2.00000
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     10      16.5688      0.00000
     11      17.5426      0.00000
     12      18.0144      0.00000
     13      18.9189      0.00000
     14      20.9800      0.00000
     15      23.6999      0.00000
     16      25.2085      0.00000

 k-point   281 :      -0.4545   -0.5455   -0.6364
  band No.  band energies     occupation 
      1      -3.5332      2.00000
      2      -0.7072      2.00000
      3       3.3048      2.00000
      4       4.3492      2.00000
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     10      16.0555      0.00000
     11      17.4162      0.00000
     12      18.8755      0.00000
     13      19.9043      0.00000
     14      21.4043      0.00000
     15      23.9404      0.00000
     16      25.7304      0.00000

 k-point   282 :       0.6364    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.0541      2.00000
      2      -0.7563      2.00000
      3       2.2655      2.00000
      4       3.7986      2.00000
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      9      13.3116      0.00000
     10      16.2352      0.00000
     11      18.4527      0.00000
     12      19.3623      0.00000
     13      21.7684      0.00000
     14      22.5101      0.00000
     15      23.4944      0.00000
     16      24.6165      0.00000

 k-point   283 :       0.7273    0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.4971      2.00000
      2      -0.9705      2.00000
      3       1.7613      2.00000
      4       3.2950      2.00000
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     10      16.3416      0.00000
     11      19.4530      0.00000
     12      20.5915      0.00000
     13      21.7970      0.00000
     14      22.2361      0.00000
     15      23.4390      0.00000
     16      24.6921      0.00000

 k-point   284 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.9277      2.00000
      2      -1.5375      2.00000
      3       2.0770      2.00000
      4       2.9631      2.00000
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     10      16.5635      0.00000
     11      19.2664      0.00000
     12      20.0664      0.00000
     13      21.7861      0.00000
     14      22.5987      0.00000
     15      22.9649      0.00000
     16      23.3971      0.00000

 k-point   285 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.4162      2.00000
      2      -1.1183      2.00000
      3       2.7592      2.00000
      4       2.9059      2.00000
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     10      17.5836      0.00000
     11      18.2962      0.00000
     12      19.8530      0.00000
     13      20.3033      0.00000
     14      21.5159      0.00000
     15      22.6995      0.00000
     16      24.2546      0.00000

 k-point   286 :      -0.5455   -0.4545   -0.6364
  band No.  band energies     occupation 
      1      -3.5333      2.00000
      2      -0.7071      2.00000
      3       3.3057      2.00000
      4       4.3484      2.00000
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     10      16.0556      0.00000
     11      17.4176      0.00000
     12      18.8774      0.00000
     13      19.9027      0.00000
     14      21.4045      0.00000
     15      23.9427      0.00000
     16      25.7304      0.00000

 k-point   287 :      -0.4545   -0.4545   -0.6364
  band No.  band energies     occupation 
      1      -3.3411      2.00000
      2      -0.8179      2.00000
      3       2.9363      2.00000
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     11      17.7290      0.00000
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     14      21.7940      0.00000
     15      24.9729      0.00000
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 k-point   288 :      -0.3636   -0.4545   -0.6364
  band No.  band energies     occupation 
      1      -3.0698      2.00000
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      3       2.2553      2.00000
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     10      16.2896      0.00000
     11      18.3814      0.00000
     12      19.3284      0.00000
     13      22.0454      0.00000
     14      22.2049      0.00000
     15      23.5753      0.00000
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 k-point   289 :       0.7273    0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.7277      2.00000
      2      -0.7271      2.00000
      3       1.8999      2.00000
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     10      16.9665      0.00000
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     12      20.2405      0.00000
     13      21.7218      0.00000
     14      22.4900      0.00000
     15      23.2201      0.00000
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 k-point   290 :       0.8182    0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.3069      2.00000
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     10      17.3564      0.00000
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     12      20.0302      0.00000
     13      21.8517      0.00000
     14      22.5455      0.00000
     15      23.2484      0.00000
     16      24.5685      0.00000

 k-point   291 :       0.4545    0.6364    0.3636
  band No.  band energies     occupation 
      1      -3.0541      2.00000
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      3       2.2663      2.00000
      4       3.7979      2.00000
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     10      16.2363      0.00000
     11      18.4544      0.00000
     12      19.3643      0.00000
     13      21.7687      0.00000
     14      22.5084      0.00000
     15      23.4973      0.00000
     16      24.6185      0.00000

 k-point   292 :      -0.4545   -0.3636   -0.6364
  band No.  band energies     occupation 
      1      -3.0697      2.00000
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     10      16.2914      0.00000
     11      18.3821      0.00000
     12      19.3303      0.00000
     13      22.0441      0.00000
     14      22.2045      0.00000
     15      23.5762      0.00000
     16      24.5462      0.00000

 k-point   293 :      -0.3636   -0.3636   -0.6364
  band No.  band energies     occupation 
      1      -3.0328      2.00000
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      3       1.7864      2.00000
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     10      14.1138      0.00000
     11      19.2413      0.00000
     12      21.4041      0.00000
     13      21.5288      0.00000
     14      22.2219      0.00000
     15      22.7936      0.00000
     16      24.1219      0.00000

 k-point   294 :      -0.2727   -0.3636   -0.6364
  band No.  band energies     occupation 
      1      -2.9207      2.00000
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      3       1.6481      2.00000
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     10      15.0562      0.00000
     11      20.3339      0.00000
     12      20.8665      0.00000
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     14      22.6649      0.00000
     15      22.9099      0.00000
     16      24.1001      0.00000

 k-point   295 :       0.4545    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.4970      2.00000
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      3       1.7617      2.00000
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     10      16.3428      0.00000
     11      19.4550      0.00000
     12      20.5934      0.00000
     13      21.7980      0.00000
     14      22.2375      0.00000
     15      23.4410      0.00000
     16      24.6917      0.00000

 k-point   296 :       0.5455    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.7275      2.00000
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      3       1.9000      2.00000
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     10      16.9684      0.00000
     11      18.8336      0.00000
     12      20.2420      0.00000
     13      21.7235      0.00000
     14      22.4899      0.00000
     15      23.2217      0.00000
     16      24.9729      0.00000

 k-point   297 :      -0.3636   -0.2727   -0.6364
  band No.  band energies     occupation 
      1      -2.9206      2.00000
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      3       1.6480      2.00000
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     10      15.0584      0.00000
     11      20.3342      0.00000
     12      20.8686      0.00000
     13      20.8778      0.00000
     14      22.6648      0.00000
     15      22.9116      0.00000
     16      24.0977      0.00000

 k-point   298 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.9276      2.00000
      2      -1.5366      2.00000
      3       2.0769      2.00000
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     10      16.5648      0.00000
     11      19.2684      0.00000
     12      20.0679      0.00000
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     14      22.5981      0.00000
     15      22.9667      0.00000
     16      23.3992      0.00000

 k-point   299 :       0.5455    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.3065      2.00000
      2      -1.0663      2.00000
      3       2.1320      2.00000
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     10      17.3585      0.00000
     11      18.7328      0.00000
     12      20.0321      0.00000
     13      21.8528      0.00000
     14      22.5454      0.00000
     15      23.2504      0.00000
     16      24.5693      0.00000

 k-point   300 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4156      2.00000
      2      -1.1177      2.00000
      3       2.7586      2.00000
      4       2.9053      2.00000
      5       7.3735      0.00000
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     10      17.5854      0.00000
     11      18.2974      0.00000
     12      19.8547      0.00000
     13      20.3025      0.00000
     14      21.5149      0.00000
     15      22.7011      0.00000
     16      24.2566      0.00000

 k-point   301 :      -0.0000   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.8294      2.00000
      2      -0.8403      2.00000
      3       4.8938      2.00000
      4       4.8971      2.00000
      5       7.7703      0.00000
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     10      16.1495      0.00000
     11      17.2454      0.00000
     12      18.0739      0.00000
     13      18.2508      0.00000
     14      19.6849      0.00000
     15      24.4654      0.00000
     16      26.8107      0.00000

 k-point   302 :       0.0909   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.9044      2.00000
      2      -0.5213      2.00000
      3       4.3004      2.00000
      4       4.6237      2.00000
      5       8.3070      0.00000
      6       9.4122      0.00000
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     10      16.4479      0.00000
     11      17.3700      0.00000
     12      17.8879      0.00000
     13      18.8145      0.00000
     14      21.2741      0.00000
     15      23.7050      0.00000
     16      25.1934      0.00000

 k-point   303 :       0.1818    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.8249      2.00000
      2      -0.0798      2.00000
      3       3.2635      2.00000
      4       4.1382      2.00000
      5       7.9983      0.00000
      6      10.6705      0.00000
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     10      16.9430      0.00000
     11      17.7149      0.00000
     12      17.9175      0.00000
     13      18.9714      0.00000
     14      22.3167      0.00000
     15      23.8990      0.00000
     16      24.4190      0.00000

 k-point   304 :       0.2727    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.5698      2.00000
      2       0.1312      2.00000
      3       2.6482      2.00000
      4       3.6758      2.00000
      5       7.3728      0.00000
      6       9.3644      0.00000
      7      12.5506      0.00000
      8      12.6607      0.00000
      9      17.2140      0.00000
     10      17.3954      0.00000
     11      17.7771      0.00000
     12      18.1962      0.00000
     13      19.9458      0.00000
     14      21.8835      0.00000
     15      22.9700      0.00000
     16      24.7688      0.00000

 k-point   305 :       0.3636    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.1323      2.00000
      2      -0.3246      2.00000
      3       2.8777      2.00000
      4       3.3439      2.00000
      5       6.8741      0.00000
      6       7.7231      0.00000
      7      14.3265      0.00000
      8      14.4642      0.00000
      9      17.5410      0.00000
     10      17.7075      0.00000
     11      17.8982      0.00000
     12      18.3329      0.00000
     13      20.9507      0.00000
     14      21.3891      0.00000
     15      22.0608      0.00000
     16      24.0623      0.00000

 k-point   306 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5225      2.00000
      2      -1.0887      2.00000
      3       3.1836      2.00000
      4       3.1840      2.00000
      5       6.6138      0.00000
      6       6.9377      0.00000
      7      15.7345      0.00000
      8      15.7441      0.00000
      9      17.7355      0.00000
     10      17.7421      0.00000
     11      17.8570      0.00000
     12      18.6630      0.00000
     13      19.6089      0.00000
     14      19.9784      0.00000
     15      24.0196      0.00000
     16      24.9517      0.00000

 k-point   307 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.8614      2.00000
      2      -1.7461      2.00000
      3       2.7232      2.00000
      4       3.2100      2.00000
      5       6.7945      0.00000
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      7      15.6522      0.00000
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      9      16.3405      0.00000
     10      16.4706      0.00000
     11      19.2927      0.00000
     12      19.4290      0.00000
     13      19.8075      0.00000
     14      20.3290      0.00000
     15      24.0813      0.00000
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 k-point   308 :      -0.3636   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.4538      2.00000
      2      -1.0438      2.00000
      3       2.0777      2.00000
      4       3.4194      2.00000
      5       7.0421      0.00000
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     10      15.9746      0.00000
     11      19.4110      0.00000
     12      20.0595      0.00000
     13      21.6242      0.00000
     14      21.7454      0.00000
     15      22.3810      0.00000
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 k-point   309 :      -0.2727   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.9498      2.00000
      2      -0.6898      2.00000
      3       2.0762      2.00000
      4       3.7925      2.00000
      5       7.5109      0.00000
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     10      15.7586      0.00000
     11      19.2675      0.00000
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     13      20.0930      0.00000
     14      23.8717      0.00000
     15      23.9733      0.00000
     16      24.5041      0.00000

 k-point   310 :      -0.1818    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.3363      2.00000
      2      -0.8063      2.00000
      3       2.9329      2.00000
      4       4.2751      2.00000
      5       8.1088      0.00000
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     10      15.6204      0.00000
     11      17.7222      0.00000
     12      18.9100      0.00000
     13      19.8330      0.00000
     14      22.1423      0.00000
     15      24.9229      0.00000
     16      25.2135      0.00000

 k-point   311 :      -0.0909    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.6308      2.00000
      2      -0.9308      2.00000
      3       4.1267      2.00000
      4       4.7310      2.00000
      5       8.2918      0.00000
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     10      15.7500      0.00000
     11      17.1639      0.00000
     12      18.4589      0.00000
     13      19.0345      0.00000
     14      19.9766      0.00000
     15      25.0770      0.00000
     16      26.2236      0.00000

 k-point   312 :       0.0000    0.0909    0.4545
  band No.  band energies     occupation 
      1      -3.9045      2.00000
      2      -0.5213      2.00000
      3       4.2999      2.00000
      4       4.6242      2.00000
      5       8.3075      0.00000
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      9      14.9342      0.00000
     10      16.4470      0.00000
     11      17.3690      0.00000
     12      17.8869      0.00000
     13      18.8137      0.00000
     14      21.2760      0.00000
     15      23.7053      0.00000
     16      25.1950      0.00000

 k-point   313 :       0.0909    0.0909    0.4545
  band No.  band energies     occupation 
      1      -4.1241      2.00000
      2      -0.1663      2.00000
      3       4.0648      2.00000
      4       4.9663      2.00000
      5       8.4364      0.00000
      6       9.5572      0.00000
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      8      14.0154      0.00000
      9      14.1885      0.00000
     10      15.3512      0.00000
     11      17.3164      0.00000
     12      17.9334      0.00000
     13      20.6276      0.00000
     14      20.8960      0.00000
     15      23.0066      0.00000
     16      24.3863      0.00000

 k-point   314 :       0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1      -4.1653      2.00000
      2       0.3128      2.00000
      3       3.3634      2.00000
      4       4.5608      2.00000
      5       8.8622      0.00000
      6       9.4898      0.00000
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      9      14.9041      0.00000
     10      15.9330      0.00000
     11      17.7298      0.00000
     12      17.9841      0.00000
     13      20.4389      0.00000
     14      21.4971      0.00000
     15      23.0260      0.00000
     16      24.2301      0.00000

 k-point   315 :       0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1      -4.0137      2.00000
      2       0.6571      2.00000
      3       2.8552      2.00000
      4       3.8555      2.00000
      5       8.2313      0.00000
      6       9.8330      0.00000
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      8      12.6185      0.00000
      9      15.6392      0.00000
     10      16.7714      0.00000
     11      17.9982      0.00000
     12      18.6726      0.00000
     13      20.3675      0.00000
     14      21.0045      0.00000
     15      22.5207      0.00000
     16      24.4522      0.00000

 k-point   316 :       0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -3.6664      2.00000
      2       0.3818      2.00000
      3       2.9518      2.00000
      4       3.3387      2.00000
      5       7.4798      0.00000
      6       8.3364      0.00000
      7      12.6457      0.00000
      8      13.9901      0.00000
      9      16.4062      0.00000
     10      17.3009      0.00000
     11      17.9797      0.00000
     12      19.4953      0.00000
     13      20.3892      0.00000
     14      21.0677      0.00000
     15      22.3998      0.00000
     16      23.2028      0.00000

 k-point   317 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4455      2.00000
      2      -1.0835      2.00000
      3       2.7635      2.00000
      4       2.8885      2.00000
      5       7.3756      0.00000
      6       7.6423      0.00000
      7      14.0845      0.00000
      8      15.5891      0.00000
      9      16.0369      0.00000
     10      17.5850      0.00000
     11      18.3082      0.00000
     12      19.8630      0.00000
     13      20.1220      0.00000
     14      21.6966      0.00000
     15      22.8155      0.00000
     16      24.3331      0.00000

 k-point   318 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -1.9222      2.00000
      2      -1.5423      2.00000
      3       2.0770      2.00000
      4       2.9630      2.00000
      5       7.6596      0.00000
      6       8.9363      0.00000
      7      13.6189      0.00000
      8      13.8529      0.00000
      9      15.9011      0.00000
     10      16.5901      0.00000
     11      19.2451      0.00000
     12      20.1042      0.00000
     13      21.8407      0.00000
     14      22.5491      0.00000
     15      22.9280      0.00000
     16      23.4092      0.00000

 k-point   319 :      -0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4817      2.00000
      2      -0.9811      2.00000
      3       1.7451      2.00000
      4       3.3134      2.00000
      5       8.0149      0.00000
      6      10.7406      0.00000
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      8      13.5168      0.00000
      9      14.3809      0.00000
     10      16.1809      0.00000
     11      19.1932      0.00000
     12      20.6905      0.00000
     13      22.1189      0.00000
     14      22.3729      0.00000
     15      23.3610      0.00000
     16      24.5195      0.00000

 k-point   320 :      -0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1      -3.0463      2.00000
      2      -0.7506      2.00000
      3       2.2318      2.00000
      4       3.8272      2.00000
      5       8.5448      0.00000
      6      10.0951      0.00000
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      8      12.9730      0.00000
      9      13.4630      0.00000
     10      16.0566      0.00000
     11      18.3586      0.00000
     12      19.2004      0.00000
     13      22.0981      0.00000
     14      22.5346      0.00000
     15      23.5297      0.00000
     16      24.6863      0.00000

 k-point   321 :      -0.0909    0.0909   -0.5455
  band No.  band energies     occupation 
      1      -3.5328      2.00000
      2      -0.6944      2.00000
      3       3.2706      2.00000
      4       4.3678      2.00000
      5       8.7891      0.00000
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     10      15.9257      0.00000
     11      17.2949      0.00000
     12      18.6296      0.00000
     13      19.9192      0.00000
     14      21.7338      0.00000
     15      23.9273      0.00000
     16      25.7023      0.00000

 k-point   322 :      -0.0000    0.1818    0.4545
  band No.  band energies     occupation 
      1      -3.8251      2.00000
      2      -0.0798      2.00000
      3       3.2631      2.00000
      4       4.1388      2.00000
      5       7.9988      0.00000
      6      10.6698      0.00000
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      9      16.1211      0.00000
     10      16.9423      0.00000
     11      17.7148      0.00000
     12      17.9157      0.00000
     13      18.9708      0.00000
     14      22.3167      0.00000
     15      23.8998      0.00000
     16      24.4207      0.00000

 k-point   323 :       0.0909    0.1818    0.4545
  band No.  band energies     occupation 
      1      -4.1654      2.00000
      2       0.3128      2.00000
      3       3.3634      2.00000
      4       4.5606      2.00000
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     10      15.9327      0.00000
     11      17.7297      0.00000
     12      17.9842      0.00000
     13      20.4375      0.00000
     14      21.4966      0.00000
     15      23.0260      0.00000
     16      24.2318      0.00000

 k-point   324 :       0.1818    0.1818    0.4545
  band No.  band energies     occupation 
      1      -4.3156      2.00000
      2       0.7620      2.00000
      3       2.8150      2.00000
      4       4.9726      2.00000
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      6      10.4145      0.00000
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      9      12.6787      0.00000
     10      16.1701      0.00000
     11      17.9781      0.00000
     12      18.1627      0.00000
     13      20.0500      0.00000
     14      22.0962      0.00000
     15      22.8902      0.00000
     16      24.0919      0.00000

 k-point   325 :       0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -4.2654      2.00000
      2       0.9718      2.00000
      3       2.5806      2.00000
      4       4.5457      2.00000
      5       9.4565      0.00000
      6       9.5455      0.00000
      7      10.8381      0.00000
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      9      13.8167      0.00000
     10      16.4954      0.00000
     11      18.1011      0.00000
     12      18.6350      0.00000
     13      19.6522      0.00000
     14      21.9224      0.00000
     15      22.4566      0.00000
     16      25.1085      0.00000

 k-point   326 :      -0.4545   -0.8182   -0.5455
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4738      2.00000
      3       2.2732      2.00000
      4       3.2004      2.00000
      5       7.7882      0.00000
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     10      17.2961      0.00000
     11      18.1448      0.00000
     12      20.2494      0.00000
     13      20.9093      0.00000
     14      21.4229      0.00000
     15      23.3648      0.00000
     16      23.8824      0.00000

 k-point   327 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.2504      2.00000
      2      -1.1244      2.00000
      3       2.1248      2.00000
      4       2.5160      2.00000
      5       9.0566      0.00000
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     10      17.3274      0.00000
     11      18.6995      0.00000
     12      20.0752      0.00000
     13      21.8515      0.00000
     14      22.7091      0.00000
     15      23.2456      0.00000
     16      24.5271      0.00000

 k-point   328 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.0418      2.00000
      2      -1.2946      2.00000
      3       1.8335      2.00000
      4       2.5544      2.00000
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      9      15.8491      0.00000
     10      16.9752      0.00000
     11      19.0135      0.00000
     12      20.2512      0.00000
     13      21.8878      0.00000
     14      22.9499      0.00000
     15      24.4889      0.00000
     16      24.5721      0.00000

 k-point   329 :      -0.1818    0.1818   -0.5455
  band No.  band energies     occupation 
      1      -2.6862      2.00000
      2      -0.7563      2.00000
      3       1.8737      2.00000
      4       3.0741      2.00000
      5       9.4980      0.00000
      6       9.8952      0.00000
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      9      14.4327      0.00000
     10      16.7467      0.00000
     11      18.6464      0.00000
     12      20.3920      0.00000
     13      21.8230      0.00000
     14      22.7373      0.00000
     15      23.2355      0.00000
     16      24.9846      0.00000

 k-point   330 :      -0.0909    0.1818   -0.5455
  band No.  band energies     occupation 
      1      -3.3175      2.00000
      2      -0.3915      2.00000
      3       2.4584      2.00000
      4       3.7394      2.00000
      5       8.3153      0.00000
      6      10.3666      0.00000
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      9      15.2549      0.00000
     10      16.7627      0.00000
     11      17.8284      0.00000
     12      19.2053      0.00000
     13      20.2273      0.00000
     14      22.5797      0.00000
     15      24.3007      0.00000
     16      24.8299      0.00000

 k-point   331 :      -0.0000    0.2727    0.4545
  band No.  band energies     occupation 
      1      -3.5702      2.00000
      2       0.1308      2.00000
      3       2.6484      2.00000
      4       3.6764      2.00000
      5       7.3735      0.00000
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      9      17.2140      0.00000
     10      17.3946      0.00000
     11      17.7768      0.00000
     12      18.1947      0.00000
     13      19.9452      0.00000
     14      21.8827      0.00000
     15      22.9695      0.00000
     16      24.7669      0.00000

 k-point   332 :       0.0909    0.2727    0.4545
  band No.  band energies     occupation 
      1      -4.0140      2.00000
      2       0.6569      2.00000
      3       2.8555      2.00000
      4       3.8555      2.00000
      5       8.2323      0.00000
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     10      16.7716      0.00000
     11      17.9984      0.00000
     12      18.6722      0.00000
     13      20.3664      0.00000
     14      21.0034      0.00000
     15      22.5199      0.00000
     16      24.4516      0.00000

 k-point   333 :       0.1818    0.2727    0.4545
  band No.  band energies     occupation 
      1      -4.2655      2.00000
      2       0.9717      2.00000
      3       2.5808      2.00000
      4       4.5454      2.00000
      5       9.4573      0.00000
      6       9.5469      0.00000
      7      10.8391      0.00000
      8      11.9370      0.00000
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     10      16.4955      0.00000
     11      18.1012      0.00000
     12      18.6349      0.00000
     13      19.6518      0.00000
     14      21.9219      0.00000
     15      22.4549      0.00000
     16      25.1095      0.00000

 k-point   334 :      -0.4545   -0.7273   -0.5455
  band No.  band energies     occupation 
      1      -3.3174      2.00000
      2      -0.3912      2.00000
      3       2.4585      2.00000
      4       3.7388      2.00000
      5       8.3143      0.00000
      6      10.3672      0.00000
      7      11.2558      0.00000
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     10      16.7631      0.00000
     11      17.8275      0.00000
     12      19.2054      0.00000
     13      20.2296      0.00000
     14      22.5785      0.00000
     15      24.2995      0.00000
     16      24.8291      0.00000

 k-point   335 :      -0.3636   -0.7273   -0.5455
  band No.  band energies     occupation 
      1      -2.6862      2.00000
      2      -0.7559      2.00000
      3       1.8734      2.00000
      4       3.0740      2.00000
      5       9.4971      0.00000
      6       9.8956      0.00000
      7      11.2270      0.00000
      8      13.1210      0.00000
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     10      16.7473      0.00000
     11      18.6454      0.00000
     12      20.3917      0.00000
     13      21.8219      0.00000
     14      22.7393      0.00000
     15      23.2357      0.00000
     16      24.9828      0.00000

 k-point   336 :       0.7273    0.2727    0.4545
  band No.  band energies     occupation 
      1      -2.0420      2.00000
      2      -1.2945      2.00000
      3       1.8335      2.00000
      4       2.5547      2.00000
      5       9.4055      0.00000
      6      10.6814      0.00000
      7      11.5106      0.00000
      8      11.5452      0.00000
      9      15.8493      0.00000
     10      16.9759      0.00000
     11      19.0134      0.00000
     12      20.2512      0.00000
     13      21.8864      0.00000
     14      22.9505      0.00000
     15      24.4862      0.00000
     16      24.5695      0.00000

 k-point   337 :      -0.1818    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.2506      2.00000
      2      -1.1249      2.00000
      3       2.1253      2.00000
      4       2.5163      2.00000
      5       9.0576      0.00000
      6       9.2582      0.00000
      7      11.7448      0.00000
      8      13.3570      0.00000
      9      15.8287      0.00000
     10      17.3275      0.00000
     11      18.7005      0.00000
     12      20.0761      0.00000
     13      21.8514      0.00000
     14      22.7069      0.00000
     15      23.2437      0.00000
     16      24.5262      0.00000

 k-point   338 :      -0.0909    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.9589      2.00000
      2      -0.4744      2.00000
      3       2.2735      2.00000
      4       3.2012      2.00000
      5       7.7892      0.00000
      6       9.1649      0.00000
      7      12.1659      0.00000
      8      14.4556      0.00000
      9      15.5039      0.00000
     10      17.2964      0.00000
     11      18.1461      0.00000
     12      20.2474      0.00000
     13      20.9087      0.00000
     14      21.4238      0.00000
     15      23.3636      0.00000
     16      23.8825      0.00000

 k-point   339 :      -0.0000    0.3636    0.4545
  band No.  band energies     occupation 
      1      -3.1328      2.00000
      2      -0.3254      2.00000
      3       2.8786      2.00000
      4       3.3446      2.00000
      5       6.8750      0.00000
      6       7.7240      0.00000
      7      14.3258      0.00000
      8      14.4651      0.00000
      9      17.5417      0.00000
     10      17.7080      0.00000
     11      17.8969      0.00000
     12      18.3319      0.00000
     13      20.9493      0.00000
     14      21.3894      0.00000
     15      22.0600      0.00000
     16      24.0590      0.00000

 k-point   340 :       0.0909    0.3636    0.4545
  band No.  band energies     occupation 
      1      -3.6667      2.00000
      2       0.3812      2.00000
      3       2.9524      2.00000
      4       3.3392      2.00000
      5       7.4810      0.00000
      6       8.3371      0.00000
      7      12.6470      0.00000
      8      13.9888      0.00000
      9      16.4052      0.00000
     10      17.3016      0.00000
     11      17.9804      0.00000
     12      19.4941      0.00000
     13      20.3875      0.00000
     14      21.0665      0.00000
     15      22.3991      0.00000
     16      23.2019      0.00000

 k-point   341 :      -0.4545   -0.6364   -0.5455
  band No.  band energies     occupation 
      1      -3.5329      2.00000
      2      -0.6940      2.00000
      3       3.2705      2.00000
      4       4.3677      2.00000
      5       8.7885      0.00000
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      7      10.9054      0.00000
      8      13.4086      0.00000
      9      14.9828      0.00000
     10      15.9264      0.00000
     11      17.2949      0.00000
     12      18.6295      0.00000
     13      19.9214      0.00000
     14      21.7319      0.00000
     15      23.9254      0.00000
     16      25.7019      0.00000

 k-point   342 :       0.6364    0.3636    0.4545
  band No.  band energies     occupation 
      1      -3.0465      2.00000
      2      -0.7502      2.00000
      3       2.2313      2.00000
      4       3.8276      2.00000
      5       8.5453      0.00000
      6      10.0940      0.00000
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     10      16.0573      0.00000
     11      18.3576      0.00000
     12      19.2003      0.00000
     13      22.0963      0.00000
     14      22.5367      0.00000
     15      23.5276      0.00000
     16      24.6872      0.00000

 k-point   343 :       0.7273    0.3636    0.4545
  band No.  band energies     occupation 
      1      -2.4821      2.00000
      2      -0.9810      2.00000
      3       1.7450      2.00000
      4       3.3140      2.00000
      5       8.0155      0.00000
      6      10.7419      0.00000
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     10      16.1819      0.00000
     11      19.1930      0.00000
     12      20.6894      0.00000
     13      22.1187      0.00000
     14      22.3713      0.00000
     15      23.3598      0.00000
     16      24.5177      0.00000

 k-point   344 :       0.8182    0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.9229      2.00000
      2      -1.5426      2.00000
      3       2.0775      2.00000
      4       2.9636      2.00000
      5       7.6603      0.00000
      6       8.9377      0.00000
      7      13.6178      0.00000
      8      13.8516      0.00000
      9      15.9019      0.00000
     10      16.5913      0.00000
     11      19.2457      0.00000
     12      20.1053      0.00000
     13      21.8385      0.00000
     14      22.5473      0.00000
     15      22.9259      0.00000
     16      23.4080      0.00000

 k-point   345 :      -0.0909    0.3636   -0.5455
  band No.  band energies     occupation 
      1      -2.4460      2.00000
      2      -1.0843      2.00000
      3       2.7643      2.00000
      4       2.8892      2.00000
      5       7.3765      0.00000
      6       7.6432      0.00000
      7      14.0836      0.00000
      8      15.5892      0.00000
      9      16.0362      0.00000
     10      17.5858      0.00000
     11      18.3096      0.00000
     12      19.8642      0.00000
     13      20.1201      0.00000
     14      21.6948      0.00000
     15      22.8146      0.00000
     16      24.3319      0.00000

 k-point   346 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.5231      2.00000
      2      -1.0894      2.00000
      3       3.1846      2.00000
      4       3.1847      2.00000
      5       6.6148      0.00000
      6       6.9384      0.00000
      7      15.7359      0.00000
      8      15.7429      0.00000
      9      17.7366      0.00000
     10      17.7406      0.00000
     11      17.8574      0.00000
     12      18.6625      0.00000
     13      19.6091      0.00000
     14      19.9777      0.00000
     15      24.0191      0.00000
     16      24.9498      0.00000

 k-point   347 :       0.5455    0.4545    0.4545
  band No.  band energies     occupation 
      1      -3.6310      2.00000
      2      -0.9303      2.00000
      3       4.1259      2.00000
      4       4.7316      2.00000
      5       8.2922      0.00000
      6       9.4464      0.00000
      7       9.7430      0.00000
      8      14.2559      0.00000
      9      15.4963      0.00000
     10      15.7495      0.00000
     11      17.1638      0.00000
     12      18.4583      0.00000
     13      19.0347      0.00000
     14      19.9774      0.00000
     15      25.0755      0.00000
     16      26.2232      0.00000

 k-point   348 :       0.6364    0.4545    0.4545
  band No.  band energies     occupation 
      1      -3.3366      2.00000
      2      -0.8058      2.00000
      3       2.9321      2.00000
      4       4.2757      2.00000
      5       8.1095      0.00000
      6      10.5292      0.00000
      7      10.8012      0.00000
      8      13.1112      0.00000
      9      15.2360      0.00000
     10      15.6197      0.00000
     11      17.7215      0.00000
     12      18.9093      0.00000
     13      19.8316      0.00000
     14      22.1447      0.00000
     15      24.9204      0.00000
     16      25.2131      0.00000

 k-point   349 :       0.7273    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.9502      2.00000
      2      -0.6895      2.00000
      3       2.0758      2.00000
      4       3.7931      2.00000
      5       7.5116      0.00000
      6      10.8526      0.00000
      7      12.2722      0.00000
      8      12.4503      0.00000
      9      15.5518      0.00000
     10      15.7573      0.00000
     11      19.2670      0.00000
     12      19.4455      0.00000
     13      20.0917      0.00000
     14      23.8709      0.00000
     15      23.9728      0.00000
     16      24.5028      0.00000

 k-point   350 :       0.8182    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.4544      2.00000
      2      -1.0440      2.00000
      3       2.0781      2.00000
      4       3.4201      2.00000
      5       7.0428      0.00000
      6       8.9387      0.00000
      7      14.0426      0.00000
      8      14.3583      0.00000
      9      15.7986      0.00000
     10      15.9733      0.00000
     11      19.4113      0.00000
     12      20.0583      0.00000
     13      21.6224      0.00000
     14      21.7449      0.00000
     15      22.3807      0.00000
     16      24.2455      0.00000

 k-point   351 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.8624      2.00000
      2      -1.7464      2.00000
      3       2.7241      2.00000
      4       3.2107      2.00000
      5       6.7953      0.00000
      6       7.3975      0.00000
      7      15.6525      0.00000
      8      15.9918      0.00000
      9      16.3398      0.00000
     10      16.4707      0.00000
     11      19.2933      0.00000
     12      19.4284      0.00000
     13      19.8070      0.00000
     14      20.3287      0.00000
     15      24.0786      0.00000
     16      24.5210      0.00000

 k-point   352 :      -0.4545   -0.4545   -0.5455
  band No.  band energies     occupation 
      1      -3.6353      2.00000
      2      -0.9288      2.00000
      3       4.1208      2.00000
      4       4.7398      2.00000
      5       8.3216      0.00000
      6       9.3609      0.00000
      7       9.8257      0.00000
      8      14.2027      0.00000
      9      15.4068      0.00000
     10      15.8542      0.00000
     11      17.2188      0.00000
     12      18.6134      0.00000
     13      18.8545      0.00000
     14      19.9433      0.00000
     15      25.0848      0.00000
     16      26.2530      0.00000

 k-point   353 :       0.6364    0.5455    0.4545
  band No.  band energies     occupation 
      1      -3.5453      2.00000
      2      -0.6891      2.00000
      3       3.2880      2.00000
      4       4.3465      2.00000
      5       8.8757      0.00000
      6       9.2280      0.00000
      7      10.8835      0.00000
      8      13.4223      0.00000
      9      14.7632      0.00000
     10      16.0556      0.00000
     11      17.4022      0.00000
     12      18.8157      0.00000
     13      19.6195      0.00000
     14      21.7184      0.00000
     15      23.9747      0.00000
     16      25.7187      0.00000

 k-point   354 :       0.7273    0.5455    0.4545
  band No.  band energies     occupation 
      1      -3.3368      2.00000
      2      -0.3793      2.00000
      3       2.4876      2.00000
      4       3.7002      2.00000
      5       8.3605      0.00000
      6      10.4528      0.00000
      7      11.2834      0.00000
      8      12.5664      0.00000
      9      15.0237      0.00000
     10      16.9835      0.00000
     11      17.9834      0.00000
     12      19.2529      0.00000
     13      19.9258      0.00000
     14      22.6307      0.00000
     15      24.2027      0.00000
     16      24.7687      0.00000

 k-point   355 :       0.8182    0.5455    0.4545
  band No.  band energies     occupation 
      1      -2.9839      2.00000
      2      -0.4475      2.00000
      3       2.2921      2.00000
      4       3.1657      2.00000
      5       7.8211      0.00000
      6       9.1747      0.00000
      7      12.3035      0.00000
      8      14.3570      0.00000
      9      15.3073      0.00000
     10      17.4907      0.00000
     11      18.3202      0.00000
     12      20.0003      0.00000
     13      20.8201      0.00000
     14      21.4000      0.00000
     15      23.4195      0.00000
     16      23.9498      0.00000

 k-point   356 :       0.9091    0.5455    0.4545
  band No.  band energies     occupation 
      1      -2.4757      2.00000
      2      -1.0499      2.00000
      3       2.7704      2.00000
      4       2.8701      2.00000
      5       7.3797      0.00000
      6       7.6621      0.00000
      7      14.2442      0.00000
      8      15.4521      0.00000
      9      16.0138      0.00000
     10      17.5969      0.00000
     11      18.3067      0.00000
     12      19.8403      0.00000
     13      19.9433      0.00000
     14      21.8780      0.00000
     15      22.9712      0.00000
     16      24.3621      0.00000

 k-point   357 :       0.5455    0.6364    0.4545
  band No.  band energies     occupation 
      1      -3.5453      2.00000
      2      -0.6891      2.00000
      3       3.2887      2.00000
      4       4.3460      2.00000
      5       8.8741      0.00000
      6       9.2278      0.00000
      7      10.8847      0.00000
      8      13.4209      0.00000
      9      14.7629      0.00000
     10      16.0565      0.00000
     11      17.4032      0.00000
     12      18.8175      0.00000
     13      19.6196      0.00000
     14      21.7166      0.00000
     15      23.9752      0.00000
     16      25.7185      0.00000

 k-point   358 :      -0.3636   -0.3636   -0.5455
  band No.  band energies     occupation 
      1      -3.6398      2.00000
      2      -0.3818      2.00000
      3       2.7604      2.00000
      4       4.5862      2.00000
      5       8.4135      0.00000
      6      10.4783      0.00000
      7      10.6342      0.00000
      8      13.9658      0.00000
      9      14.0404      0.00000
     10      14.6496      0.00000
     11      17.5255      0.00000
     12      19.9141      0.00000
     13      21.0485      0.00000
     14      21.3860      0.00000
     15      22.7498      0.00000
     16      24.9761      0.00000

 k-point   359 :      -0.2727   -0.3636   -0.5455
  band No.  band energies     occupation 
      1      -3.5873      2.00000
      2      -0.0304      2.00000
      3       2.2193      2.00000
      4       4.1274      2.00000
      5       8.9941      0.00000
      6       9.9638      0.00000
      7      11.7612      0.00000
      8      12.3766      0.00000
      9      14.6874      0.00000
     10      14.8194      0.00000
     11      18.5622      0.00000
     12      20.2093      0.00000
     13      20.8097      0.00000
     14      21.3616      0.00000
     15      23.8061      0.00000
     16      24.1522      0.00000

 k-point   360 :       0.8182    0.6364    0.4545
  band No.  band energies     occupation 
      1      -3.3690      2.00000
      2      -0.0121      2.00000
      3       2.1743      2.00000
      4       3.3791      2.00000
      5       9.1869      0.00000
      6       9.8028      0.00000
      7      10.5677      0.00000
      8      13.8968      0.00000
      9      14.9298      0.00000
     10      15.8273      0.00000
     11      19.7510      0.00000
     12      20.1097      0.00000
     13      20.4456      0.00000
     14      20.8377      0.00000
     15      23.0112      0.00000
     16      24.2296      0.00000

 k-point   361 :       0.5455    0.7273    0.4545
  band No.  band energies     occupation 
      1      -3.3366      2.00000
      2      -0.3793      2.00000
      3       2.4882      2.00000
      4       3.6996      2.00000
      5       8.3591      0.00000
      6      10.4519      0.00000
      7      11.2819      0.00000
      8      12.5679      0.00000
      9      15.0231      0.00000
     10      16.9849      0.00000
     11      17.9845      0.00000
     12      19.2545      0.00000
     13      19.9258      0.00000
     14      22.6317      0.00000
     15      24.2021      0.00000
     16      24.7697      0.00000

 k-point   362 :      -0.3636   -0.2727   -0.5455
  band No.  band energies     occupation 
      1      -3.5871      2.00000
      2      -0.0304      2.00000
      3       2.2193      2.00000
      4       4.1277      2.00000
      5       8.9934      0.00000
      6       9.9621      0.00000
      7      11.7598      0.00000
      8      12.3783      0.00000
      9      14.6879      0.00000
     10      14.8202      0.00000
     11      18.5625      0.00000
     12      20.2092      0.00000
     13      20.8110      0.00000
     14      21.3628      0.00000
     15      23.8055      0.00000
     16      24.1528      0.00000

 k-point   363 :      -0.2727   -0.2727   -0.5455
  band No.  band energies     occupation 
      1      -3.6735      2.00000
      2       0.1687      2.00000
      3       1.9352      2.00000
      4       4.5239      2.00000
      5       8.3249      0.00000
      6      11.3985      0.00000
      7      11.7126      0.00000
      8      12.7609      0.00000
      9      12.8427      0.00000
     10      14.6657      0.00000
     11      19.2109      0.00000
     12      19.9005      0.00000
     13      20.3600      0.00000
     14      22.9839      0.00000
     15      23.5016      0.00000
     16      23.6384      0.00000

 k-point   364 :       0.5455    0.8182    0.4545
  band No.  band energies     occupation 
      1      -2.9835      2.00000
      2      -0.4471      2.00000
      3       2.2922      2.00000
      4       3.1650      2.00000
      5       7.8197      0.00000
      6       9.1735      0.00000
      7      12.3021      0.00000
      8      14.3585      0.00000
      9      15.3064      0.00000
     10      17.4922      0.00000
     11      18.3214      0.00000
     12      20.0000      0.00000
     13      20.8217      0.00000
     14      21.4019      0.00000
     15      23.4202      0.00000
     16      23.9507      0.00000

 k-point   365 :       0.6364    0.8182    0.4545
  band No.  band energies     occupation 
      1      -3.3687      2.00000
      2      -0.0119      2.00000
      3       2.1740      2.00000
      4       3.3793      2.00000
      5       9.1853      0.00000
      6       9.8017      0.00000
      7      10.5662      0.00000
      8      13.8984      0.00000
      9      14.9291      0.00000
     10      15.8290      0.00000
     11      19.7516      0.00000
     12      20.1097      0.00000
     13      20.4470      0.00000
     14      20.8394      0.00000
     15      23.0129      0.00000
     16      24.2302      0.00000

 k-point   366 :       0.5455    0.9091    0.4545
  band No.  band energies     occupation 
      1      -2.4752      2.00000
      2      -1.0492      2.00000
      3       2.7698      2.00000
      4       2.8695      2.00000
      5       7.3784      0.00000
      6       7.6611      0.00000
      7      14.2427      0.00000
      8      15.4515      0.00000
      9      16.0146      0.00000
     10      17.5988      0.00000
     11      18.3077      0.00000
     12      19.8421      0.00000
     13      19.9426      0.00000
     14      21.8771      0.00000
     15      22.9729      0.00000
     16      24.3643      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001   0.001  -0.000  -0.000   0.000   0.000   0.000
 -0.001   0.006   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.001   0.000   4.176   0.000  -0.000  -0.005   0.000   0.000
 -0.000   0.000   0.000   4.176  -0.000   0.000  -0.005   0.000
 -0.000   0.000  -0.000  -0.000   4.176   0.000   0.000  -0.005
  0.000  -0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
  0.000  -0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
  0.000  -0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821  -0.005   0.000  -0.000   0.012   0.000   0.000
 -0.821   0.832   0.012  -0.000  -0.000  -0.016   0.000   0.000
 -0.005   0.012   1.046   0.000  -0.000  -0.589  -0.000   0.000
  0.000  -0.000   0.000   1.047  -0.011  -0.000  -0.590   0.006
 -0.000  -0.000  -0.000  -0.011   1.046   0.000   0.006  -0.589
  0.012  -0.016  -0.589  -0.000   0.000   0.391   0.000  -0.000
  0.000   0.000  -0.000  -0.590   0.006   0.000   0.391  -0.004
  0.000   0.000   0.000   0.006  -0.589  -0.000  -0.004   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0550: real time    0.0545
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0230: real time    0.0237
    STRESS:  cpu time    0.3739: real time    0.3743
    FORCOR:  cpu time    0.0040: real time    0.0040
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.78369   -76.76086   -76.73294     0.00000     0.00000    -1.29535
  Hartree     4.88216     4.88211     4.89352     0.00000     0.00000    -0.31206
  E(xc)     -25.50538   -25.50574   -25.50577     0.00001     0.00013     0.01173
  Local     -28.90983   -28.92952   -28.97216     0.00001     0.00001     1.59115
  n-local    78.30930    78.31593    78.31808    -0.87091     0.62327    -0.23085
  augment   -11.66332   -11.66339   -11.66413    -0.00001     0.00000     0.02704
  Kinetic    57.26402    57.25838    57.26644    -0.57905     0.74577    -0.20334
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.03407     1.03773     1.04386    -0.00000     0.00000    -0.41169
  in kB      42.33592    42.48560    42.73688    -0.00000     0.00000   -16.85500
  external pressure =       42.52 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.188334051
     0.040420200  2.694680000  2.694680000    -0.185550789  0.185550789  0.188334051
     2.735100200  0.000000000  2.694680000     0.185550789 -0.185550789  0.182767527

  length of vectors
     3.810853002  3.811067357  3.839540781     0.322998305  0.322998305  0.319784552


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.196E-06 -.157E+01 0.193E-06   -.226E-14 0.120E+01 -.153E-14   0.525E-17 0.535E+00 -.266E-16   0.108E-02 0.966E-03 0.693E-04
   -.196E-06 0.157E+01 -.193E-06   0.196E-14 -.120E+01 0.160E-14   -.473E-17 -.535E+00 0.133E-16   -.108E-02 -.966E-03 -.693E-04
 -----------------------------------------------------------------------------------------------
   -.789E-14 0.644E-13 -.438E-13   -.304E-15 -.444E-15 0.758E-16   0.521E-18 -.111E-15 -.134E-16   -.499E-16 0.289E-14 0.150E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.164680      0.000000
      1.36755      1.34734      1.34734        -0.000000     -0.164680     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82180454 eV

  energy  without entropy=      -10.82180454  energy(sigma->0) =      -10.82180454
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.5303461E-06-0.530E-06
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.2842171E-13-0.284E-13


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0055


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   6/  7
  Displacement:        1/  2
  Total:              11/ 14
  LATTYP: Found a base centered monoclinic cell.
 ALAT       =     5.3893600000
 B/A-ratio  =     1.0000000000
 C/A-ratio  =     1.5882557256
 COS(beta)  =    -0.6711535526
  
  Lattice vectors:
  
 A1 = (  -2.6946800000,  -2.6946800000,   0.0000000000)
 A2 = (  -2.6946800000,   2.6946800000,   0.0000000000)
 A3 = (   8.1244602000,   0.0000000000,  -2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The static configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 base centered monoclinic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial point group operations.


The dynamic configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2h.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  2 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   180.000000    -0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
    3    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000    -0.750000     0.250000
    4    -1.000000   180.000000    -0.000000    -1.000000    -0.000000     0.250000    -0.750000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    366 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909  0.000000 -0.000000      4.000000
  0.181818  0.000000 -0.000000      4.000000
  0.272727 -0.000000 -0.000000      4.000000
  0.363636  0.000000 -0.000000      4.000000
  0.454545  0.000000 -0.000000      4.000000
  0.090909  0.090909  0.000000      2.000000
  0.181818  0.090909 -0.000000      4.000000
  0.272727  0.090909  0.000000      4.000000
  0.363636  0.090909 -0.000000      4.000000
  0.454545  0.090909  0.000000      4.000000
 -0.454545  0.090909 -0.000000      4.000000
 -0.363636  0.090909  0.000000      4.000000
 -0.272727  0.090909  0.000000      4.000000
 -0.181818  0.090909  0.000000      4.000000
 -0.090909  0.090909  0.000000      2.000000
  0.181818  0.181818  0.000000      2.000000
  0.272727  0.181818  0.000000      4.000000
  0.363636  0.181818 -0.000000      4.000000
  0.454545  0.181818  0.000000      4.000000
 -0.454545  0.181818  0.000000      4.000000
 -0.363636  0.181818  0.000000      4.000000
 -0.272727  0.181818  0.000000      4.000000
 -0.181818  0.181818  0.000000      2.000000
  0.272727  0.272727 -0.000000      2.000000
  0.363636  0.272727 -0.000000      4.000000
  0.454545  0.272727  0.000000      4.000000
 -0.454545  0.272727 -0.000000      4.000000
 -0.363636  0.272727 -0.000000      4.000000
 -0.272727  0.272727  0.000000      2.000000
  0.363636  0.363636  0.000000      2.000000
  0.454545  0.363636  0.000000      4.000000
 -0.454545  0.363636  0.000000      4.000000
 -0.363636  0.363636  0.000000      2.000000
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  0.000000  0.000000  0.090909      4.000000
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 -0.272727 -0.000000  0.090909      4.000000
 -0.181818 -0.000000  0.090909      4.000000
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  0.181818  0.090909  0.090909      4.000000
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  0.272727  0.090909  0.181818      4.000000
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  0.363636  0.181818  0.181818      4.000000
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 -0.033737 -0.067473  0.201913      4.000000
 -0.016868 -0.050605  0.185298      4.000000
  0.000000 -0.033737  0.168683      4.000000
  0.000000 -0.000000  0.168683      2.000000
 -0.084341 -0.084341  0.251759      4.000000
 -0.067473 -0.067473  0.235143      4.000000
 -0.050605 -0.050605  0.218528      4.000000
 -0.033737 -0.033737  0.201913      4.000000
 -0.016868 -0.016868  0.185298      4.000000
  0.084341 -0.253024  0.085606      4.000000
  0.101210 -0.236156  0.068991      4.000000
  0.118078 -0.219287  0.052376      4.000000
  0.134946 -0.202419  0.035761      4.000000
  0.151814 -0.185551  0.019145      2.000000
  0.067473 -0.236156  0.102222      4.000000
  0.084341 -0.219287  0.085606      4.000000
  0.101210 -0.202419  0.068991      4.000000
  0.118078 -0.185551  0.052376      2.000000
  0.050605 -0.219287  0.118837      4.000000
  0.067473 -0.202419  0.102222      4.000000
  0.084341 -0.185551  0.085606      2.000000
  0.033737 -0.202419  0.135452      4.000000
  0.050605 -0.185551  0.118837      2.000000
  0.016868 -0.185551  0.152067      2.000000
 
    WAVPRE:  cpu time    0.1530: real time    0.1582
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0590: real time    0.0589
    ORTHCH:  cpu time    0.3260: real time    0.3264
     LOOP+:  cpu time    7.9258: real time    7.9394


--------------------------------------- Iteration     13(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0062
    SETDIJ:  cpu time    0.0020: real time    0.0014
    EDDIAG:  cpu time    0.5969: real time    0.5972
  RMM-DIIS:  cpu time    0.4859: real time    0.4862
    ORTHCH:  cpu time    0.3150: real time    0.3149
       DOS:  cpu time    0.0030: real time    0.0033
    CHARGE:  cpu time    0.0550: real time    0.0547
    MIXING:  cpu time    0.0000: real time    0.0001
    --------------------------------------------
      LOOP:  cpu time    1.4628: real time    1.4640

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) :-0.1456853E-01  (-0.9568635E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596141 magnetization 

 Broyden mixing:
  rms(total) = 0.44329E-01    rms(broyden)= 0.44327E-01
  rms(prec ) = 0.17400E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.64969660
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85695000
  PAW double counting   =        75.11716948      -40.17619547
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.43458027
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.83637397 eV

  energy without entropy =      -10.83637397  energy(sigma->0) =      -10.83637397


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5939: real time    0.5934
  RMM-DIIS:  cpu time    0.4949: real time    0.4950
    ORTHCH:  cpu time    0.3140: real time    0.3146
       DOS:  cpu time    0.0040: real time    0.0031
    CHARGE:  cpu time    0.0540: real time    0.0547
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4668: real time    1.4666

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1103564E-01  (-0.1908777E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596105 magnetization 

 Broyden mixing:
  rms(total) = 0.22558E-01    rms(broyden)= 0.22558E-01
  rms(prec ) = 0.88459E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9890
  1.9890

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.64942358
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85711759
  PAW double counting   =        75.11849400      -40.17756280
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.44555329
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82533833 eV

  energy without entropy =      -10.82533833  energy(sigma->0) =      -10.82533833


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5939: real time    0.5937
  RMM-DIIS:  cpu time    0.4939: real time    0.4943
    ORTHCH:  cpu time    0.3150: real time    0.3148
       DOS:  cpu time    0.0030: real time    0.0029
    CHARGE:  cpu time    0.0540: real time    0.0545
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4648: real time    1.4659

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.3514412E-02  (-0.2984696E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595823 magnetization 

 Broyden mixing:
  rms(total) = 0.35288E-02    rms(broyden)= 0.35284E-02
  rms(prec ) = 0.12358E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3329
  2.1238  2.5419

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65793455
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85658625
  PAW double counting   =        75.12092011      -40.18007150
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45712993
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82182392 eV

  energy without entropy =      -10.82182392  energy(sigma->0) =      -10.82182392


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5939: real time    0.5938
  RMM-DIIS:  cpu time    0.4949: real time    0.4955
    ORTHCH:  cpu time    0.3150: real time    0.3148
       DOS:  cpu time    0.0030: real time    0.0030
    CHARGE:  cpu time    0.0550: real time    0.0548
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4678: real time    1.4677

 eigenvalue-minimisations  : 11712
 total energy-change (2. order) : 0.1843173E-04  (-0.7316649E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595864 magnetization 

 Broyden mixing:
  rms(total) = 0.74676E-03    rms(broyden)= 0.74668E-03
  rms(prec ) = 0.26927E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8272
  1.0160  1.9386  2.5269

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65703732
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85666341
  PAW double counting   =        75.11642593      -40.17542595
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45617690
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180549 eV

  energy without entropy =      -10.82180549  energy(sigma->0) =      -10.82180549


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0043
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.5909: real time    0.5917
  RMM-DIIS:  cpu time    0.4949: real time    0.4949
    ORTHCH:  cpu time    0.3150: real time    0.3145
       DOS:  cpu time    0.0030: real time    0.0030
    CHARGE:  cpu time    0.0540: real time    0.0545
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.4648: real time    1.4644

 eigenvalue-minimisations  : 11687
 total energy-change (2. order) : 0.2309161E-05  (-0.6312104E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595852 magnetization 

 Broyden mixing:
  rms(total) = 0.32457E-03    rms(broyden)= 0.32454E-03
  rms(prec ) = 0.80983E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2356
  3.5429  1.0033  2.5074  1.8888

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65751802
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85662530
  PAW double counting   =        75.11703008      -40.17605084
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45664256
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180318 eV

  energy without entropy =      -10.82180318  energy(sigma->0) =      -10.82180318


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.5919: real time    0.5920
  RMM-DIIS:  cpu time    0.4949: real time    0.4953
    ORTHCH:  cpu time    0.3150: real time    0.3144
       DOS:  cpu time    0.0030: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    1.4098: real time    1.4101

 eigenvalue-minimisations  : 10477
 total energy-change (2. order) :-0.8077048E-06  (-0.1160669E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595852 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.27735796
  -Hartree energ DENC   =       -14.65770753
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85660701
  PAW double counting   =        75.11722772      -40.17625668
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45682117
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82180399 eV

  energy without entropy =      -10.82180399  energy(sigma->0) =      -10.82180399


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9890       2 -82.9890
 
 
 
 E-fermi :   6.1186     XC(G=0):  -9.4993     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0570      2.00000
      2       6.0424      2.00000
      3       6.0594      2.00000
      4       6.0812      2.00000
      5       8.5217      0.00000
      6       8.6149      0.00000
      7       8.7550      0.00000
      8       9.7235      0.00000
      9      13.8045      0.00000
     10      13.8068      0.00000
     11      14.1155      0.00000
     12      17.3680      0.00000
     13      17.3941      0.00000
     14      17.4251      0.00000
     15      21.6174      0.00000
     16      29.4659      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9481      2.00000
      2       5.0380      2.00000
      3       5.8887      2.00000
      4       5.9156      2.00000
      5       8.6781      0.00000
      6       8.8703      0.00000
      7       8.9977      0.00000
      8      10.4011      0.00000
      9      13.4868      0.00000
     10      13.5084      0.00000
     11      14.5611      0.00000
     12      17.0099      0.00000
     13      18.0561      0.00000
     14      18.0775      0.00000
     15      22.3189      0.00000
     16      28.2421      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6255      2.00000
      2       3.3340      2.00000
      3       5.5538      2.00000
      4       5.5751      2.00000
      5       8.4728      0.00000
      6       9.3112      0.00000
      7       9.4619      0.00000
      8      11.9621      0.00000
      9      13.1263      0.00000
     10      13.1815      0.00000
     11      15.2973      0.00000
     12      16.8639      0.00000
     13      19.5551      0.00000
     14      19.5622      0.00000
     15      23.8307      0.00000
     16      25.6401      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.1061      2.00000
      2       1.6538      2.00000
      3       5.2372      2.00000
      4       5.2488      2.00000
      5       8.1520      0.00000
      6       9.5501      0.00000
      7       9.6919      0.00000
      8      13.3569      0.00000
      9      13.5052      0.00000
     10      13.5610      0.00000
     11      15.0995      0.00000
     12      18.4355      0.00000
     13      21.0869      0.00000
     14      21.0973      0.00000
     15      23.5582      0.00000
     16      23.7599      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4420      2.00000
      2       0.1830      2.00000
      3       5.0114      2.00000
      4       5.0140      2.00000
      5       7.9017      0.00000
      6       9.4822      0.00000
      7       9.6165      0.00000
      8      14.0423      0.00000
      9      14.4566      0.00000
     10      14.5951      0.00000
     11      15.7871      0.00000
     12      20.0095      0.00000
     13      20.2439      0.00000
     14      20.2671      0.00000
     15      22.9140      0.00000
     16      24.4794      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.8295      2.00000
      2      -0.8401      2.00000
      3       4.8938      2.00000
      4       4.8970      2.00000
      5       7.7705      0.00000
      6       9.3694      0.00000
      7       9.5026      0.00000
      8      13.8953      0.00000
      9      15.9778      0.00000
     10      16.1496      0.00000
     11      17.2454      0.00000
     12      18.0738      0.00000
     13      18.2510      0.00000
     14      19.6849      0.00000
     15      24.4654      0.00000
     16      26.7557      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2745      2.00000
      3       5.5106      2.00000
      4       5.5945      2.00000
      5       8.3048      0.00000
      6       9.2379      0.00000
      7       9.4175      0.00000
      8      10.4058      0.00000
      9      12.9240      0.00000
     10      13.9673      0.00000
     11      14.7338      0.00000
     12      17.6199      0.00000
     13      17.6828      0.00000
     14      18.0163      0.00000
     15      22.6410      0.00000
     16      27.8835      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6556      2.00000
      2       3.8466      2.00000
      3       5.1976      2.00000
      4       5.3591      2.00000
      5       8.3487      0.00000
      6       9.3772      0.00000
      7      10.0051      0.00000
      8      11.1446      0.00000
      9      12.7995      0.00000
     10      13.9451      0.00000
     11      15.5459      0.00000
     12      17.2360      0.00000
     13      18.5284      0.00000
     14      19.4144      0.00000
     15      23.9780      0.00000
     16      25.7430      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1974      2.00000
      2       2.1916      2.00000
      3       4.8753      2.00000
      4       5.0099      2.00000
      5       8.5523      0.00000
      6       9.3243      0.00000
      7      10.3388      0.00000
      8      11.3919      0.00000
      9      14.0534      0.00000
     10      14.1778      0.00000
     11      15.7179      0.00000
     12      18.0177      0.00000
     13      19.9860      0.00000
     14      21.2030      0.00000
     15      23.3899      0.00000
     16      24.0536      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5704      2.00000
      2       0.6642      2.00000
      3       4.6273      2.00000
      4       4.6845      2.00000
      5       8.4495      0.00000
      6       9.3409      0.00000
      7      10.2521      0.00000
      8      12.1163      0.00000
      9      15.0409      0.00000
     10      15.1327      0.00000
     11      15.9622      0.00000
     12      19.7128      0.00000
     13      19.9215      0.00000
     14      21.3750      0.00000
     15      23.1047      0.00000
     16      23.5380      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.8986      2.00000
      2      -0.5360      2.00000
      3       4.3168      2.00000
      4       4.6405      2.00000
      5       8.3306      0.00000
      6       9.3021      0.00000
      7      10.0088      0.00000
      8      13.3668      0.00000
      9      14.9012      0.00000
     10      16.5685      0.00000
     11      17.5424      0.00000
     12      18.0142      0.00000
     13      18.9186      0.00000
     14      20.9799      0.00000
     15      23.7000      0.00000
     16      25.2087      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.6352      2.00000
      2      -0.9290      2.00000
      3       4.1210      2.00000
      4       4.7397      2.00000
      5       8.3217      0.00000
      6       9.3611      0.00000
      7       9.8259      0.00000
      8      14.2025      0.00000
      9      15.4069      0.00000
     10      15.8540      0.00000
     11      17.2184      0.00000
     12      18.6132      0.00000
     13      18.8545      0.00000
     14      19.9429      0.00000
     15      25.0848      0.00000
     16      26.2535      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.1242      2.00000
      2      -0.1661      2.00000
      3       4.0647      2.00000
      4       4.9663      2.00000
      5       8.4365      0.00000
      6       9.5571      0.00000
      7       9.7574      0.00000
      8      14.0155      0.00000
      9      14.1887      0.00000
     10      15.3509      0.00000
     11      17.3164      0.00000
     12      17.9334      0.00000
     13      20.6277      0.00000
     14      20.8959      0.00000
     15      23.0065      0.00000
     16      24.3863      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.8071      2.00000
      2       1.1809      2.00000
      3       4.1656      2.00000
      4       5.2913      2.00000
      5       8.6600      0.00000
      6       9.7092      0.00000
      7       9.7853      0.00000
      8      12.9700      0.00000
      9      12.9923      0.00000
     10      15.4894      0.00000
     11      15.6890      0.00000
     12      18.8739      0.00000
     13      20.1918      0.00000
     14      22.0834      0.00000
     15      22.1784      0.00000
     16      24.1307      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3812      2.00000
      2       2.7580      2.00000
      3       4.4429      2.00000
      4       5.6575      2.00000
      5       8.9488      0.00000
      6       9.4477      0.00000
      7       9.7098      0.00000
      8      12.0734      0.00000
      9      12.5154      0.00000
     10      14.2869      0.00000
     11      15.8398      0.00000
     12      17.4240      0.00000
     13      19.2416      0.00000
     14      21.0678      0.00000
     15      23.1344      0.00000
     16      24.6867      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7695      2.00000
      2       4.2548      2.00000
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     11      15.1867      0.00000
     12      17.2188      0.00000
     13      17.9248      0.00000
     14      19.3790      0.00000
     15      23.2943      0.00000
     16      25.5815      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
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     14      19.0090      0.00000
     15      25.1477      0.00000
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 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
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     10      14.8072      0.00000
     11      16.9792      0.00000
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     13      19.3370      0.00000
     14      20.5879      0.00000
     15      23.3299      0.00000
     16      23.8742      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
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      3       3.7674      2.00000
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     12      19.5523      0.00000
     13      19.6532      0.00000
     14      21.3714      0.00000
     15      22.2953      0.00000
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 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
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     10      17.0377      0.00000
     11      17.9098      0.00000
     12      17.9864      0.00000
     13      19.0619      0.00000
     14      22.3007      0.00000
     15      23.9654      0.00000
     16      24.1085      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
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      2      -0.8182      2.00000
      3       2.9366      2.00000
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     10      15.7198      0.00000
     11      17.7285      0.00000
     12      19.0356      0.00000
     13      19.9434      0.00000
     14      21.7939      0.00000
     15      24.9726      0.00000
     16      25.2353      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
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      2      -0.3820      2.00000
      3       2.7607      2.00000
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     10      14.6496      0.00000
     11      17.5250      0.00000
     12      19.9140      0.00000
     13      21.0483      0.00000
     14      21.3858      0.00000
     15      22.7495      0.00000
     16      24.9764      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
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      3       2.8150      2.00000
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     10      16.1698      0.00000
     11      17.9780      0.00000
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     13      20.0495      0.00000
     14      22.0966      0.00000
     15      22.8901      0.00000
     16      24.0912      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
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     10      16.0839      0.00000
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     12      17.8083      0.00000
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     14      21.0549      0.00000
     15      22.6595      0.00000
     16      25.0113      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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      3       3.8918      2.00000
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     13      19.4751      0.00000
     14      20.2504      0.00000
     15      23.2495      0.00000
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 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     14      21.0197      0.00000
     15      22.1350      0.00000
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 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     14      22.2216      0.00000
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 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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     11      21.0779      0.00000
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     15      22.0684      0.00000
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 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -1.9265      2.00000
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     11      19.3130      0.00000
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 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3290      2.00000
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     14      20.8134      0.00000
     15      23.4207      0.00000
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 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8098      2.00000
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     10      16.1816      0.00000
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     13      20.0553      0.00000
     14      21.5767      0.00000
     15      22.2163      0.00000
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 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2761      2.00000
      3       3.4093      2.00000
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     13      20.4896      0.00000
     14      21.4893      0.00000
     15      22.9882      0.00000
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5331      2.00000
      2      -0.7075      2.00000
      3       3.3052      2.00000
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     14      21.4042      0.00000
     15      23.9405      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7333      2.00000
      3       3.4477      2.00000
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     10      16.2460      0.00000
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     14      21.5276      0.00000
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9903      2.00000
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      3       2.8885      2.00000
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      5       8.2453      0.00000
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     10      16.9536      0.00000
     11      18.2191      0.00000
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     14      21.0199      0.00000
     15      22.6072      0.00000
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.3167      2.00000
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      3       2.5026      2.00000
      4       3.7380      2.00000
      5       8.4021      0.00000
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     10      16.9104      0.00000
     11      17.9992      0.00000
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     14      22.6044      0.00000
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.0697      2.00000
      2      -0.7493      2.00000
      3       2.2557      2.00000
      4       3.8294      2.00000
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     10      16.2895      0.00000
     11      18.3809      0.00000
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     13      22.0453      0.00000
     14      22.2048      0.00000
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5872      2.00000
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     10      14.8193      0.00000
     11      18.5618      0.00000
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     14      21.3613      0.00000
     15      23.8067      0.00000
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.2655      2.00000
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     10      16.4953      0.00000
     11      18.1011      0.00000
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     14      21.9224      0.00000
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 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6438      2.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
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     11      18.3567      0.00000
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     14      21.3648      0.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.5158      2.00000
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     10      16.4056      0.00000
     11      19.3902      0.00000
     12      20.4847      0.00000
     13      21.9369      0.00000
     14      22.3476      0.00000
     15      23.4566      0.00000
     16      24.5342      0.00000

 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9207      2.00000
      2      -0.5528      2.00000
      3       1.6483      2.00000
      4       3.6694      2.00000
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      8      12.6759      0.00000
      9      13.7985      0.00000
     10      15.0564      0.00000
     11      20.3339      0.00000
     12      20.8664      0.00000
     13      20.8762      0.00000
     14      22.6647      0.00000
     15      22.9097      0.00000
     16      24.0998      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0819      2.00000
      3       2.7412      2.00000
      4       2.9115      2.00000
      5       7.3424      0.00000
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      7      14.0889      0.00000
      8      15.6006      0.00000
      9      16.0412      0.00000
     10      17.5947      0.00000
     11      18.3042      0.00000
     12      19.8368      0.00000
     13      20.1307      0.00000
     14      21.7018      0.00000
     15      22.8294      0.00000
     16      24.3139      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9957      2.00000
      2      -1.4823      2.00000
      3       2.0497      2.00000
      4       3.0183      2.00000
      5       7.7605      0.00000
      6       8.8046      0.00000
      7      13.6198      0.00000
      8      13.8940      0.00000
      9      15.9439      0.00000
     10      16.6146      0.00000
     11      19.2922      0.00000
     12      20.0192      0.00000
     13      21.8588      0.00000
     14      22.4892      0.00000
     15      22.9303      0.00000
     16      23.3407      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0579      2.00000
      3       2.1808      2.00000
      4       3.3809      2.00000
      5       9.1312      0.00000
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      7      10.4543      0.00000
      8      13.8472      0.00000
      9      15.1512      0.00000
     10      15.7242      0.00000
     11      19.7500      0.00000
     12      20.2989      0.00000
     13      20.4467      0.00000
     14      20.8650      0.00000
     15      23.0412      0.00000
     16      24.3479      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6958      2.00000
      2      -0.7638      2.00000
      3       1.9072      2.00000
      4       3.0570      2.00000
      5       9.5861      0.00000
      6       9.9525      0.00000
      7      11.0628      0.00000
      8      13.1257      0.00000
      9      14.3402      0.00000
     10      16.8867      0.00000
     11      18.8984      0.00000
     12      20.2370      0.00000
     13      21.7063      0.00000
     14      22.7204      0.00000
     15      23.2139      0.00000
     16      24.7487      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.2549      2.00000
      2      -1.1211      2.00000
      3       2.1242      2.00000
      4       2.5162      2.00000
      5       8.9979      0.00000
      6       9.3193      0.00000
      7      11.7490      0.00000
      8      13.3614      0.00000
      9      15.8406      0.00000
     10      17.3261      0.00000
     11      18.7010      0.00000
     12      20.0623      0.00000
     13      21.8539      0.00000
     14      22.7220      0.00000
     15      23.2353      0.00000
     16      24.5188      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.1146      2.00000
      2      -1.2311      2.00000
      3       1.8315      2.00000
      4       2.5701      2.00000
      5       9.5215      0.00000
      6      10.5915      0.00000
      7      11.4779      0.00000
      8      11.5579      0.00000
      9      15.8911      0.00000
     10      17.0170      0.00000
     11      19.0595      0.00000
     12      20.1711      0.00000
     13      21.8642      0.00000
     14      22.9267      0.00000
     15      24.4557      0.00000
     16      24.5404      0.00000

 k-point    57 :      -0.0000   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9451      2.00000
      2       5.1072      2.00000
      3       5.8642      2.00000
      4       5.8876      2.00000
      5       8.6697      0.00000
      6       8.7843      0.00000
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      8      10.4911      0.00000
      9      13.4630      0.00000
     10      13.4807      0.00000
     11      14.5928      0.00000
     12      17.0339      0.00000
     13      18.0700      0.00000
     14      18.0872      0.00000
     15      22.3517      0.00000
     16      28.5115      0.00000

 k-point    58 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2771      2.00000
      3       5.5504      2.00000
      4       5.5534      2.00000
      5       8.3038      0.00000
      6       9.3067      0.00000
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      8      10.4209      0.00000
      9      12.9278      0.00000
     10      13.9650      0.00000
     11      14.7320      0.00000
     12      17.6493      0.00000
     13      17.6502      0.00000
     14      18.0186      0.00000
     15      22.6432      0.00000
     16      27.8719      0.00000

 k-point    59 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6583      2.00000
      2       3.8671      2.00000
      3       5.1541      2.00000
      4       5.3448      2.00000
      5       8.3718      0.00000
      6       9.5520      0.00000
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      8      11.1399      0.00000
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     10      13.9402      0.00000
     11      15.5371      0.00000
     12      17.2412      0.00000
     13      18.4865      0.00000
     14      19.4111      0.00000
     15      23.9587      0.00000
     16      25.5565      0.00000

 k-point    60 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.2028      2.00000
      2       2.2158      2.00000
      3       4.8386      2.00000
      4       4.9732      2.00000
      5       8.5359      0.00000
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      8      11.4970      0.00000
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     10      14.1706      0.00000
     11      15.7369      0.00000
     12      17.9740      0.00000
     13      19.9512      0.00000
     14      21.1830      0.00000
     15      23.1919      0.00000
     16      23.9293      0.00000

 k-point    61 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5776      2.00000
      2       0.6860      2.00000
      3       4.5938      2.00000
      4       4.6586      2.00000
      5       8.4280      0.00000
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      7      10.1802      0.00000
      8      12.3088      0.00000
      9      14.9792      0.00000
     10      15.1134      0.00000
     11      15.8627      0.00000
     12      19.5860      0.00000
     13      19.8313      0.00000
     14      21.3592      0.00000
     15      23.0442      0.00000
     16      23.6386      0.00000

 k-point    62 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.9045      2.00000
      2      -0.5211      2.00000
      3       4.3005      2.00000
      4       4.6235      2.00000
      5       8.3070      0.00000
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      8      13.5830      0.00000
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     10      16.4479      0.00000
     11      17.3702      0.00000
     12      17.8878      0.00000
     13      18.8146      0.00000
     14      21.2741      0.00000
     15      23.7051      0.00000
     16      25.1932      0.00000

 k-point    63 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9305      2.00000
      3       4.1269      2.00000
      4       4.7308      2.00000
      5       8.2918      0.00000
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     10      15.7499      0.00000
     11      17.1642      0.00000
     12      18.4589      0.00000
     13      19.0345      0.00000
     14      19.9767      0.00000
     15      25.0771      0.00000
     16      26.2236      0.00000

 k-point    64 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.1130      2.00000
      2      -0.1807      2.00000
      3       4.0941      2.00000
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      5       8.3977      0.00000
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     10      15.3788      0.00000
     11      17.6133      0.00000
     12      18.1414      0.00000
     13      20.4414      0.00000
     14      20.8533      0.00000
     15      22.9762      0.00000
     16      24.3467      0.00000

 k-point    65 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7963      2.00000
      2       1.1611      2.00000
      3       4.2170      2.00000
      4       5.2888      2.00000
      5       8.6099      0.00000
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     10      15.5359      0.00000
     11      15.9189      0.00000
     12      18.9600      0.00000
     13      20.2898      0.00000
     14      22.1432      0.00000
     15      22.1825      0.00000
     16      23.9790      0.00000

 k-point    66 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3727      2.00000
      2       2.7381      2.00000
      3       4.5093      2.00000
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      5       8.8797      0.00000
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     10      14.4201      0.00000
     11      15.8773      0.00000
     12      17.4638      0.00000
     13      19.2456      0.00000
     14      21.1268      0.00000
     15      23.4475      0.00000
     16      24.6808      0.00000

 k-point    67 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7637      2.00000
      2       4.2685      2.00000
      3       5.0420      2.00000
      4       5.9169      2.00000
      5       8.8744      0.00000
      6       9.1193      0.00000
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      8      11.2658      0.00000
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     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2280      0.00000
     13      17.9568      0.00000
     14      19.4165      0.00000
     15      23.3440      0.00000
     16      25.9121      0.00000

 k-point    68 :       0.0000    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.9096      2.00000
      2       5.2763      2.00000
      3       5.5506      2.00000
      4       5.5541      2.00000
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      8      10.4209      0.00000
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     10      13.9665      0.00000
     11      14.7318      0.00000
     12      17.6492      0.00000
     13      17.6533      0.00000
     14      18.0171      0.00000
     15      22.6417      0.00000
     16      27.7963      0.00000

 k-point    69 :       0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.7636      2.00000
      2       4.2686      2.00000
      3       5.0413      2.00000
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      5       8.8744      0.00000
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     10      13.6787      0.00000
     11      15.2370      0.00000
     12      17.2275      0.00000
     13      17.9540      0.00000
     14      19.4185      0.00000
     15      23.3450      0.00000
     16      25.9152      0.00000

 k-point    70 :       0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3726      2.00000
      2       2.7380      2.00000
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     10      14.4211      0.00000
     11      15.8765      0.00000
     12      17.4631      0.00000
     13      19.2435      0.00000
     14      21.1288      0.00000
     15      23.4500      0.00000
     16      24.6808      0.00000

 k-point    71 :       0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7962      2.00000
      2       1.1609      2.00000
      3       4.2163      2.00000
      4       5.2895      2.00000
      5       8.6102      0.00000
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      8      12.7869      0.00000
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     10      15.5348      0.00000
     11      15.9203      0.00000
     12      18.9597      0.00000
     13      20.2905      0.00000
     14      22.1432      0.00000
     15      22.1816      0.00000
     16      23.9729      0.00000

 k-point    72 :       0.4545    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1129      2.00000
      2      -0.1808      2.00000
      3       4.0933      2.00000
      4       4.9635      2.00000
      5       8.3982      0.00000
      6       9.6148      0.00000
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      8      13.8710      0.00000
      9      14.1100      0.00000
     10      15.3780      0.00000
     11      17.6150      0.00000
     12      18.1430      0.00000
     13      20.4408      0.00000
     14      20.8518      0.00000
     15      22.9748      0.00000
     16      24.3451      0.00000

 k-point    73 :       0.5455    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.6309      2.00000
      2      -0.9306      2.00000
      3       4.1261      2.00000
      4       4.7316      2.00000
      5       8.2925      0.00000
      6       9.4463      0.00000
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      8      14.2557      0.00000
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     10      15.7492      0.00000
     11      17.1637      0.00000
     12      18.4581      0.00000
     13      19.0346      0.00000
     14      19.9771      0.00000
     15      25.0756      0.00000
     16      26.2233      0.00000

 k-point    74 :      -0.3636    0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.9046      2.00000
      2      -0.5211      2.00000
      3       4.2997      2.00000
      4       4.6242      2.00000
      5       8.3077      0.00000
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     10      16.4472      0.00000
     11      17.3691      0.00000
     12      17.8870      0.00000
     13      18.8137      0.00000
     14      21.2760      0.00000
     15      23.7053      0.00000
     16      25.1950      0.00000

 k-point    75 :      -0.2727    0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.5777      2.00000
      2       0.6861      2.00000
      3       4.5930      2.00000
      4       4.6593      2.00000
      5       8.4287      0.00000
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      7      10.1808      0.00000
      8      12.3096      0.00000
      9      14.9790      0.00000
     10      15.1135      0.00000
     11      15.8617      0.00000
     12      19.5860      0.00000
     13      19.8307      0.00000
     14      21.3588      0.00000
     15      23.0456      0.00000
     16      23.6389      0.00000

 k-point    76 :      -0.1818    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.2029      2.00000
      2       2.2158      2.00000
      3       4.8392      2.00000
      4       4.9727      2.00000
      5       8.5366      0.00000
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      7      10.2585      0.00000
      8      11.4970      0.00000
      9      13.9356      0.00000
     10      14.1706      0.00000
     11      15.7372      0.00000
     12      17.9740      0.00000
     13      19.9526      0.00000
     14      21.1825      0.00000
     15      23.1915      0.00000
     16      23.9276      0.00000

 k-point    77 :      -0.0909    0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6584      2.00000
      2       3.8670      2.00000
      3       5.1545      2.00000
      4       5.3445      2.00000
      5       8.3725      0.00000
      6       9.5517      0.00000
      7       9.9129      0.00000
      8      11.1398      0.00000
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     10      13.9414      0.00000
     11      15.5369      0.00000
     12      17.2419      0.00000
     13      18.4880      0.00000
     14      19.4107      0.00000
     15      23.9566      0.00000
     16      25.5464      0.00000

 k-point    78 :       0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.6524      2.00000
      2       3.9314      2.00000
      3       5.0951      2.00000
      4       5.3326      2.00000
      5       8.3459      0.00000
      6       9.5263      0.00000
      7       9.8608      0.00000
      8      11.1798      0.00000
      9      12.7751      0.00000
     10      13.8993      0.00000
     11      15.5746      0.00000
     12      17.2570      0.00000
     13      18.5107      0.00000
     14      19.4745      0.00000
     15      23.9969      0.00000
     16      25.7455      0.00000

 k-point    79 :       0.6364    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5453      2.00000
      2      -0.6893      2.00000
      3       3.2884      2.00000
      4       4.3463      2.00000
      5       8.8758      0.00000
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      7      10.8838      0.00000
      8      13.4224      0.00000
      9      14.7631      0.00000
     10      16.0555      0.00000
     11      17.4018      0.00000
     12      18.8155      0.00000
     13      19.6193      0.00000
     14      21.7182      0.00000
     15      23.9745      0.00000
     16      25.7189      0.00000

 k-point    80 :      -0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1654      2.00000
      2       0.3129      2.00000
      3       3.3633      2.00000
      4       4.5607      2.00000
      5       8.8633      0.00000
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     10      15.9324      0.00000
     11      17.7297      0.00000
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     13      20.4374      0.00000
     14      21.4965      0.00000
     15      23.0262      0.00000
     16      24.2318      0.00000

 k-point    81 :      -0.1818    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8266      2.00000
      2       1.6848      2.00000
      3       3.5936      2.00000
      4       4.9101      2.00000
      5       8.7966      0.00000
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     10      15.9870      0.00000
     11      16.5189      0.00000
     12      18.4145      0.00000
     13      19.9412      0.00000
     14      21.3812      0.00000
     15      22.1529      0.00000
     16      24.3625      0.00000

 k-point    82 :      -0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0307      2.00000
      3       4.1437      2.00000
      4       5.2365      2.00000
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      8      10.8680      0.00000
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     10      14.5235      0.00000
     11      16.3755      0.00000
     12      17.6654      0.00000
     13      18.7852      0.00000
     14      20.7174      0.00000
     15      23.1247      0.00000
     16      25.1171      0.00000

 k-point    83 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3290      2.00000
      2       3.0278      2.00000
      3       4.1819      2.00000
      4       5.2258      2.00000
      5       8.4030      0.00000
      6       9.7940      0.00000
      7      10.5003      0.00000
      8      10.8596      0.00000
      9      13.2037      0.00000
     10      14.5842      0.00000
     11      16.4314      0.00000
     12      17.6584      0.00000
     13      18.8593      0.00000
     14      20.8111      0.00000
     15      23.4180      0.00000
     16      25.1189      0.00000

 k-point    84 :       0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.0730      2.00000
      2       2.6161      2.00000
      3       4.2847      2.00000
      4       4.2959      2.00000
      5       7.7028      0.00000
      6       9.8215      0.00000
      7      11.0398      0.00000
      8      11.2584      0.00000
      9      14.2944      0.00000
     10      14.7660      0.00000
     11      17.0137      0.00000
     12      18.3749      0.00000
     13      19.3131      0.00000
     14      20.6677      0.00000
     15      23.3012      0.00000
     16      23.8150      0.00000

 k-point    85 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.8098      2.00000
      2       1.6457      2.00000
      3       3.6573      2.00000
      4       4.9187      2.00000
      5       8.7726      0.00000
      6       9.6762      0.00000
      7      10.7599      0.00000
      8      10.9910      0.00000
      9      13.7322      0.00000
     10      16.1801      0.00000
     11      16.5629      0.00000
     12      18.4659      0.00000
     13      20.0551      0.00000
     14      21.5761      0.00000
     15      22.2161      0.00000
     16      24.4028      0.00000

 k-point    86 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6157      2.00000
      2       1.7334      2.00000
      3       3.4481      2.00000
      4       4.1899      2.00000
      5       7.8248      0.00000
      6       9.3674      0.00000
      7      11.1293      0.00000
      8      12.1859      0.00000
      9      14.6874      0.00000
     10      16.2442      0.00000
     11      17.7172      0.00000
     12      18.6682      0.00000
     13      20.0460      0.00000
     14      21.5277      0.00000
     15      21.6191      0.00000
     16      23.8930      0.00000

 k-point    87 :       0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.2200      2.00000
      2       1.1718      2.00000
      3       3.4545      2.00000
      4       3.6544      2.00000
      5       7.1519      0.00000
      6       8.5909      0.00000
      7      12.6345      0.00000
      8      12.7485      0.00000
      9      16.0238      0.00000
     10      16.3085      0.00000
     11      18.3377      0.00000
     12      19.5678      0.00000
     13      20.0150      0.00000
     14      21.0601      0.00000
     15      22.0233      0.00000
     16      23.1043      0.00000

 k-point    88 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1459      2.00000
      2       0.2763      2.00000
      3       3.4100      2.00000
      4       4.5686      2.00000
      5       8.8715      0.00000
      6       9.4294      0.00000
      7      10.9294      0.00000
      8      11.7186      0.00000
      9      14.8401      0.00000
     10      16.0416      0.00000
     11      18.0013      0.00000
     12      18.1429      0.00000
     13      20.4914      0.00000
     14      21.4905      0.00000
     15      22.9898      0.00000
     16      24.0095      0.00000

 k-point    89 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9904      2.00000
      2       0.6047      2.00000
      3       2.8888      2.00000
      4       3.8909      2.00000
      5       8.2449      0.00000
      6       9.6901      0.00000
      7      10.8203      0.00000
      8      12.5872      0.00000
      9      15.5580      0.00000
     10      16.9525      0.00000
     11      18.2172      0.00000
     12      18.6828      0.00000
     13      20.4314      0.00000
     14      21.0216      0.00000
     15      22.6083      0.00000
     16      24.4930      0.00000

 k-point    90 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6438      2.00000
      2       0.3471      2.00000
      3       2.9559      2.00000
      4       3.3674      2.00000
      5       7.4465      0.00000
      6       8.3100      0.00000
      7      12.5312      0.00000
      8      13.9674      0.00000
      9      16.3385      0.00000
     10      17.4951      0.00000
     11      18.1554      0.00000
     12      19.4749      0.00000
     13      20.3939      0.00000
     14      21.0187      0.00000
     15      22.4693      0.00000
     16      23.1218      0.00000

 k-point    91 :       0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.1168      2.00000
      2      -0.3405      2.00000
      3       2.9510      2.00000
      4       3.2627      2.00000
      5       6.8163      0.00000
      6       7.7834      0.00000
      7      14.3156      0.00000
      8      14.3463      0.00000
      9      17.5874      0.00000
     10      17.8220      0.00000
     11      17.9752      0.00000
     12      18.3329      0.00000
     13      20.9339      0.00000
     14      21.3196      0.00000
     15      21.9960      0.00000
     16      23.9981      0.00000

 k-point    92 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5331      2.00000
      2      -0.7074      2.00000
      3       3.3058      2.00000
      4       4.3485      2.00000
      5       8.8853      0.00000
      6       9.2025      0.00000
      7      10.8718      0.00000
      8      13.1795      0.00000
      9      14.9697      0.00000
     10      16.0554      0.00000
     11      17.4173      0.00000
     12      18.8773      0.00000
     13      19.9024      0.00000
     14      21.4045      0.00000
     15      23.9427      0.00000
     16      25.7308      0.00000

 k-point    93 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.3167      2.00000
      2      -0.4226      2.00000
      3       2.5029      2.00000
      4       3.7379      2.00000
      5       8.4016      0.00000
      6      10.3910      0.00000
      7      11.0661      0.00000
      8      12.5603      0.00000
      9      15.2602      0.00000
     10      16.9116      0.00000
     11      18.0013      0.00000
     12      19.2523      0.00000
     13      20.2077      0.00000
     14      22.6065      0.00000
     15      23.9610      0.00000
     16      24.7821      0.00000

 k-point    94 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9587      2.00000
      2      -0.4966      2.00000
      3       2.2849      2.00000
      4       3.2248      2.00000
      5       7.8857      0.00000
      6       9.0237      0.00000
      7      12.1803      0.00000
      8      14.3667      0.00000
      9      15.5137      0.00000
     10      17.4301      0.00000
     11      18.3594      0.00000
     12      20.2185      0.00000
     13      20.7230      0.00000
     14      21.3673      0.00000
     15      23.3552      0.00000
     16      23.9559      0.00000

 k-point    95 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4493      2.00000
      2      -1.0818      2.00000
      3       2.7414      2.00000
      4       2.9116      2.00000
      5       7.3421      0.00000
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      7      14.0864      0.00000
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      9      16.0410      0.00000
     10      17.5973      0.00000
     11      18.3067      0.00000
     12      19.8395      0.00000
     13      20.1285      0.00000
     14      21.6988      0.00000
     15      22.8300      0.00000
     16      24.3152      0.00000

 k-point    96 :      -0.4545   -0.4545   -0.9091
  band No.  band energies     occupation 
      1      -1.8105      2.00000
      2      -1.7943      2.00000
      3       2.7853      2.00000
      4       3.1304      2.00000
      5       6.7106      0.00000
      6       7.5032      0.00000
      7      15.7077      0.00000
      8      15.9349      0.00000
      9      16.3425      0.00000
     10      16.4408      0.00000
     11      19.3628      0.00000
     12      19.4222      0.00000
     13      19.6953      0.00000
     14      20.4071      0.00000
     15      24.2397      0.00000
     16      24.4751      0.00000

 k-point    97 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.5452      2.00000
      2      -0.6893      2.00000
      3       3.2888      2.00000
      4       4.3461      2.00000
      5       8.8743      0.00000
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      7      10.8847      0.00000
      8      13.4208      0.00000
      9      14.7629      0.00000
     10      16.0565      0.00000
     11      17.4030      0.00000
     12      18.8173      0.00000
     13      19.6194      0.00000
     14      21.7163      0.00000
     15      23.9749      0.00000
     16      25.7186      0.00000

 k-point    98 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.0696      2.00000
      2      -0.7493      2.00000
      3       2.2558      2.00000
      4       3.8296      2.00000
      5       8.6219      0.00000
      6      10.1512      0.00000
      7      12.4540      0.00000
      8      12.7587      0.00000
      9      13.4509      0.00000
     10      16.2915      0.00000
     11      18.3818      0.00000
     12      19.3300      0.00000
     13      22.0438      0.00000
     14      22.2044      0.00000
     15      23.5759      0.00000
     16      24.5464      0.00000

 k-point    99 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.5158      2.00000
      2      -0.9740      2.00000
      3       1.7567      2.00000
      4       3.3453      2.00000
      5       8.1090      0.00000
      6      10.5901      0.00000
      7      11.8786      0.00000
      8      13.5339      0.00000
      9      14.2923      0.00000
     10      16.4081      0.00000
     11      19.3922      0.00000
     12      20.4857      0.00000
     13      21.9384      0.00000
     14      22.3462      0.00000
     15      23.4573      0.00000
     16      24.5321      0.00000

 k-point   100 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.9957      2.00000
      2      -1.4823      2.00000
      3       2.0498      2.00000
      4       3.0186      2.00000
      5       7.7601      0.00000
      6       8.8043      0.00000
      7      13.6174      0.00000
      8      13.8914      0.00000
      9      15.9463      0.00000
     10      16.6173      0.00000
     11      19.2948      0.00000
     12      20.0219      0.00000
     13      21.8564      0.00000
     14      22.4864      0.00000
     15      22.9303      0.00000
     16      23.3415      0.00000

 k-point   101 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1653      2.00000
      2       0.3129      2.00000
      3       3.3634      2.00000
      4       4.5607      2.00000
      5       8.8620      0.00000
      6       9.4897      0.00000
      7      10.9671      0.00000
      8      11.9227      0.00000
      9      14.9043      0.00000
     10      15.9326      0.00000
     11      17.7298      0.00000
     12      17.9841      0.00000
     13      20.4388      0.00000
     14      21.4969      0.00000
     15      23.0262      0.00000
     16      24.2303      0.00000

 k-point   102 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5871      2.00000
      2      -0.0306      2.00000
      3       2.2195      2.00000
      4       4.1276      2.00000
      5       8.9933      0.00000
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      7      11.7597      0.00000
      8      12.3784      0.00000
      9      14.6879      0.00000
     10      14.8203      0.00000
     11      18.5622      0.00000
     12      20.2090      0.00000
     13      20.8107      0.00000
     14      21.3625      0.00000
     15      23.8062      0.00000
     16      24.1526      0.00000

 k-point   103 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9206      2.00000
      2      -0.5528      2.00000
      3       1.6482      2.00000
      4       3.6697      2.00000
      5       8.4847      0.00000
      6      11.2118      0.00000
      7      12.0210      0.00000
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      9      13.8003      0.00000
     10      15.0585      0.00000
     11      20.3341      0.00000
     12      20.8685      0.00000
     13      20.8771      0.00000
     14      22.6646      0.00000
     15      22.9115      0.00000
     16      24.0975      0.00000

 k-point   104 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8265      2.00000
      2       1.6848      2.00000
      3       3.5935      2.00000
      4       4.9102      2.00000
      5       8.7955      0.00000
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      7      10.8530      0.00000
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     10      15.9869      0.00000
     11      16.5191      0.00000
     12      18.4146      0.00000
     13      19.9413      0.00000
     14      21.3810      0.00000
     15      22.1531      0.00000
     16      24.3637      0.00000

 k-point   105 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2654      2.00000
      2       0.9717      2.00000
      3       2.5808      2.00000
      4       4.5457      2.00000
      5       9.4565      0.00000
      6       9.5453      0.00000
      7      10.8383      0.00000
      8      11.9384      0.00000
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     10      16.4952      0.00000
     11      18.1009      0.00000
     12      18.6350      0.00000
     13      19.6517      0.00000
     14      21.9228      0.00000
     15      22.4561      0.00000
     16      25.1085      0.00000

 k-point   106 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3406      2.00000
      2       3.0308      2.00000
      3       4.1434      2.00000
      4       5.2364      2.00000
      5       8.4636      0.00000
      6       9.8969      0.00000
      7      10.5418      0.00000
      8      10.8684      0.00000
      9      13.2285      0.00000
     10      14.5227      0.00000
     11      16.3759      0.00000
     12      17.6650      0.00000
     13      18.7855      0.00000
     14      20.7161      0.00000
     15      23.1244      0.00000
     16      25.1198      0.00000

 k-point   107 :      -0.0000   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.6134      2.00000
      2       3.4122      2.00000
      3       5.5090      2.00000
      4       5.5264      2.00000
      5       8.3793      0.00000
      6       9.2827      0.00000
      7       9.4343      0.00000
      8      12.0326      0.00000
      9      13.0677      0.00000
     10      13.1232      0.00000
     11      15.3038      0.00000
     12      16.9750      0.00000
     13      19.6204      0.00000
     14      19.6332      0.00000
     15      23.9188      0.00000
     16      25.9399      0.00000

 k-point   108 :       0.0909    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.6494      2.00000
      2       3.9129      2.00000
      3       5.1332      2.00000
      4       5.3534      2.00000
      5       8.3253      0.00000
      6       9.3395      0.00000
      7       9.9438      0.00000
      8      11.1935      0.00000
      9      12.8065      0.00000
     10      13.9011      0.00000
     11      15.5784      0.00000
     12      17.2534      0.00000
     13      18.5478      0.00000
     14      19.4801      0.00000
     15      24.0226      0.00000
     16      25.8711      0.00000

 k-point   109 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4699      2.00000
      2       3.7788      2.00000
      3       4.6996      2.00000
      4       4.7000      2.00000
      5       7.6458      0.00000
      6      10.2411      0.00000
      7      10.7075      0.00000
      8      10.7233      0.00000
      9      13.0396      0.00000
     10      14.4515      0.00000
     11      16.2405      0.00000
     12      18.3908      0.00000
     13      18.3960      0.00000
     14      19.0157      0.00000
     15      25.1529      0.00000
     16      25.3451      0.00000

 k-point   110 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0818      2.00000
      2       2.5890      2.00000
      3       4.2620      2.00000
      4       4.3589      2.00000
      5       7.7221      0.00000
      6       9.8363      0.00000
      7      11.0707      0.00000
      8      11.2907      0.00000
      9      14.2551      0.00000
     10      14.8068      0.00000
     11      17.0086      0.00000
     12      18.3586      0.00000
     13      19.2746      0.00000
     14      20.5487      0.00000
     15      23.1446      0.00000
     16      23.7840      0.00000

 k-point   111 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.5084      2.00000
      2       1.1825      2.00000
      3       3.7337      2.00000
      4       4.1654      2.00000
      5       7.9557      0.00000
      6      10.2163      0.00000
      7      10.9080      0.00000
      8      11.3613      0.00000
      9      15.6092      0.00000
     10      16.0214      0.00000
     11      16.7644      0.00000
     12      19.4433      0.00000
     13      19.5613      0.00000
     14      21.2949      0.00000
     15      22.1823      0.00000
     16      23.5079      0.00000

 k-point   112 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.8249      2.00000
      2      -0.0797      2.00000
      3       3.2637      2.00000
      4       4.1380      2.00000
      5       7.9981      0.00000
      6      10.6705      0.00000
      7      11.0958      0.00000
      8      11.4658      0.00000
      9      16.1212      0.00000
     10      16.9431      0.00000
     11      17.7149      0.00000
     12      17.9175      0.00000
     13      18.9715      0.00000
     14      22.3167      0.00000
     15      23.8986      0.00000
     16      24.4189      0.00000

 k-point   113 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.3364      2.00000
      2      -0.8060      2.00000
      3       2.9330      2.00000
      4       4.2748      2.00000
      5       8.1086      0.00000
      6      10.5303      0.00000
      7      10.8006      0.00000
      8      13.1097      0.00000
      9      15.2359      0.00000
     10      15.6203      0.00000
     11      17.7223      0.00000
     12      18.9099      0.00000
     13      19.8330      0.00000
     14      22.1425      0.00000
     15      24.9230      0.00000
     16      25.2134      0.00000

 k-point   114 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6140      2.00000
      2      -0.4028      2.00000
      3       2.7815      2.00000
      4       4.5587      2.00000
      5       8.3768      0.00000
      6      10.4819      0.00000
      7      10.5893      0.00000
      8      13.7630      0.00000
      9      13.9636      0.00000
     10      14.9030      0.00000
     11      17.6013      0.00000
     12      20.2337      0.00000
     13      20.8779      0.00000
     14      21.3377      0.00000
     15      22.6688      0.00000
     16      25.0127      0.00000

 k-point   115 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2881      2.00000
      2       0.7304      2.00000
      3       2.8568      2.00000
      4       4.9504      2.00000
      5       8.7637      0.00000
      6      10.3228      0.00000
      7      10.5221      0.00000
      8      12.4612      0.00000
      9      12.6113      0.00000
     10      16.3739      0.00000
     11      18.1610      0.00000
     12      18.3201      0.00000
     13      20.0850      0.00000
     14      22.1586      0.00000
     15      22.8291      0.00000
     16      23.9770      0.00000

 k-point   116 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9103      2.00000
      2       1.9679      2.00000
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     11      16.8572      0.00000
     12      17.8264      0.00000
     13      19.9591      0.00000
     14      21.2730      0.00000
     15      22.7702      0.00000
     16      24.9482      0.00000

 k-point   117 :      -0.0909    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.3633      2.00000
      2       2.8089      2.00000
      3       4.4268      2.00000
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     10      14.3378      0.00000
     11      15.8443      0.00000
     12      17.5426      0.00000
     13      19.3530      0.00000
     14      21.1688      0.00000
     15      23.4138      0.00000
     16      24.7647      0.00000

 k-point   118 :      -0.0000    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.6495      2.00000
      2       3.9128      2.00000
      3       5.1337      2.00000
      4       5.3532      2.00000
      5       8.3261      0.00000
      6       9.3393      0.00000
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     10      13.9023      0.00000
     11      15.5782      0.00000
     12      17.2540      0.00000
     13      18.5492      0.00000
     14      19.4798      0.00000
     15      24.0205      0.00000
     16      25.8795      0.00000

 k-point   119 :       0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.7577      2.00000
      2       4.2881      2.00000
      3       5.0746      2.00000
      4       5.9032      2.00000
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     10      13.6888      0.00000
     11      15.2817      0.00000
     12      17.2361      0.00000
     13      17.9813      0.00000
     14      19.4599      0.00000
     15      23.3967      0.00000
     16      26.2432      0.00000

 k-point   120 :       0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3288      2.00000
      2       3.0305      2.00000
      3       4.1784      2.00000
      4       5.2286      2.00000
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     10      14.5834      0.00000
     11      16.4275      0.00000
     12      17.6580      0.00000
     13      18.8610      0.00000
     14      20.8106      0.00000
     15      23.4184      0.00000
     16      25.1050      0.00000

 k-point   121 :       0.3636    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.8121      2.00000
      2       1.6668      2.00000
      3       3.6297      2.00000
      4       4.9092      2.00000
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     10      16.1869      0.00000
     11      16.6097      0.00000
     12      18.4226      0.00000
     13      20.0299      0.00000
     14      21.5529      0.00000
     15      22.1463      0.00000
     16      24.1877      0.00000

 k-point   122 :       0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1495      2.00000
      2       0.2981      2.00000
      3       3.3732      2.00000
      4       4.5724      2.00000
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      9      14.6739      0.00000
     10      16.0612      0.00000
     11      18.0104      0.00000
     12      18.1395      0.00000
     13      20.2430      0.00000
     14      21.4646      0.00000
     15      23.0117      0.00000
     16      24.2324      0.00000

 k-point   123 :      -0.4545    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5329      2.00000
      2      -0.6942      2.00000
      3       3.2705      2.00000
      4       4.3678      2.00000
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     10      15.9263      0.00000
     11      17.2948      0.00000
     12      18.6293      0.00000
     13      19.9213      0.00000
     14      21.7317      0.00000
     15      23.9255      0.00000
     16      25.7020      0.00000

 k-point   124 :       0.6364    0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5330      2.00000
      2      -0.6941      2.00000
      3       3.2706      2.00000
      4       4.3676      2.00000
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     10      15.9256      0.00000
     11      17.2950      0.00000
     12      18.6296      0.00000
     13      19.9193      0.00000
     14      21.7339      0.00000
     15      23.9274      0.00000
     16      25.7023      0.00000

 k-point   125 :      -0.2727    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.1497      2.00000
      2       0.2983      2.00000
      3       3.3737      2.00000
      4       4.5719      2.00000
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     10      16.0615      0.00000
     11      18.0087      0.00000
     12      18.1387      0.00000
     13      20.2435      0.00000
     14      21.4655      0.00000
     15      23.0133      0.00000
     16      24.2339      0.00000

 k-point   126 :      -0.1818    0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.8122      2.00000
      2       1.6669      2.00000
      3       3.6303      2.00000
      4       4.9085      2.00000
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     10      16.1855      0.00000
     11      16.6105      0.00000
     12      18.4237      0.00000
     13      20.0296      0.00000
     14      21.5525      0.00000
     15      22.1461      0.00000
     16      24.1873      0.00000

 k-point   127 :      -0.0909    0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.3289      2.00000
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      3       4.1791      2.00000
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     10      14.5828      0.00000
     11      16.4275      0.00000
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     14      20.8096      0.00000
     15      23.4161      0.00000
     16      25.1043      0.00000

 k-point   128 :       0.0000    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.4700      2.00000
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      3       4.7000      2.00000
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     10      14.4529      0.00000
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     12      18.3932      0.00000
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     14      19.0159      0.00000
     15      25.1485      0.00000
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 k-point   129 :       0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.3632      2.00000
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      3       4.4262      2.00000
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     10      14.3388      0.00000
     11      15.8435      0.00000
     12      17.5420      0.00000
     13      19.3510      0.00000
     14      21.1708      0.00000
     15      23.4163      0.00000
     16      24.7648      0.00000

 k-point   130 :       0.3636    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.9102      2.00000
      2       1.9677      2.00000
      3       3.3136      2.00000
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     10      16.2370      0.00000
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     13      19.9591      0.00000
     14      21.2740      0.00000
     15      22.7717      0.00000
     16      24.9462      0.00000

 k-point   131 :       0.4545    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.2879      2.00000
      2       0.7301      2.00000
      3       2.8562      2.00000
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     10      16.3739      0.00000
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     12      18.3208      0.00000
     13      20.0842      0.00000
     14      22.1578      0.00000
     15      22.8282      0.00000
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 k-point   132 :       0.5455    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.6139      2.00000
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      3       2.7807      2.00000
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     15      22.6664      0.00000
     16      25.0122      0.00000

 k-point   133 :       0.6364    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3365      2.00000
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      3       2.9322      2.00000
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     16      25.2129      0.00000

 k-point   134 :      -0.2727    0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.8252      2.00000
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      3       3.2630      2.00000
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     14      22.3167      0.00000
     15      23.8998      0.00000
     16      24.4206      0.00000

 k-point   135 :      -0.1818    0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.5086      2.00000
      2       1.1825      2.00000
      3       3.7333      2.00000
      4       4.1661      2.00000
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     10      16.0202      0.00000
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     12      19.4432      0.00000
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     14      21.2943      0.00000
     15      22.1827      0.00000
     16      23.5079      0.00000

 k-point   136 :      -0.0909    0.1818    0.1818
  band No.  band energies     occupation 
      1      -5.0820      2.00000
      2       2.5886      2.00000
      3       4.2620      2.00000
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     10      14.8076      0.00000
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     13      19.2756      0.00000
     14      20.5489      0.00000
     15      23.1444      0.00000
     16      23.7827      0.00000

 k-point   137 :       0.2727    0.2727    0.1818
  band No.  band energies     occupation 
      1      -5.1842      2.00000
      2       2.2822      2.00000
      3       4.7682      2.00000
      4       4.9255      2.00000
      5       8.4680      0.00000
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     10      14.0663      0.00000
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     13      20.0589      0.00000
     14      21.3095      0.00000
     15      23.3284      0.00000
     16      23.9415      0.00000

 k-point   138 :       0.3636    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7150      2.00000
      3       3.5688      2.00000
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      5       8.6883      0.00000
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     10      16.0938      0.00000
     11      16.5256      0.00000
     12      18.5439      0.00000
     13      20.1318      0.00000
     14      21.5493      0.00000
     15      22.2743      0.00000
     16      24.2974      0.00000

 k-point   139 :       0.4545    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.2303      2.00000
      2       0.9447      2.00000
      3       2.6024      2.00000
      4       4.5283      2.00000
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     10      16.6943      0.00000
     11      18.2963      0.00000
     12      18.6493      0.00000
     13      19.7424      0.00000
     14      22.0911      0.00000
     15      22.4805      0.00000
     16      25.0606      0.00000

 k-point   140 :       0.5455    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.5497      2.00000
      2      -0.0724      2.00000
      3       2.2492      2.00000
      4       4.1062      2.00000
      5       8.9384      0.00000
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     10      14.9909      0.00000
     11      18.6264      0.00000
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     14      21.3466      0.00000
     15      23.6440      0.00000
     16      24.0556      0.00000

 k-point   141 :       0.6364    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.0540      2.00000
      2      -0.7565      2.00000
      3       2.2658      2.00000
      4       3.7985      2.00000
      5       8.5725      0.00000
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     10      16.2350      0.00000
     11      18.4524      0.00000
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     13      21.7684      0.00000
     14      22.5100      0.00000
     15      23.4945      0.00000
     16      24.6164      0.00000

 k-point   142 :       0.7273    0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.3367      2.00000
      2      -0.3796      2.00000
      3       2.4879      2.00000
      4       3.7001      2.00000
      5       8.3605      0.00000
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     10      16.9834      0.00000
     11      17.9831      0.00000
     12      19.2525      0.00000
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     14      22.6305      0.00000
     15      24.2010      0.00000
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 k-point   143 :      -0.1818    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.0140      2.00000
      2       0.6570      2.00000
      3       2.8554      2.00000
      4       3.8555      2.00000
      5       8.2322      0.00000
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     10      16.7714      0.00000
     11      17.9984      0.00000
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     13      20.3661      0.00000
     14      21.0032      0.00000
     15      22.5203      0.00000
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 k-point   144 :      -0.0909    0.2727    0.1818
  band No.  band energies     occupation 
      1      -4.6332      2.00000
      2       1.7565      2.00000
      3       3.4242      2.00000
      4       4.1781      2.00000
      5       7.8723      0.00000
      6       9.4184      0.00000
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     10      16.1125      0.00000
     11      17.6487      0.00000
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     14      21.4298      0.00000
     15      21.4304      0.00000
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 k-point   145 :       0.2727    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.7990      2.00000
      2       1.7152      2.00000
      3       3.5693      2.00000
      4       4.8760      2.00000
      5       8.6880      0.00000
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     10      16.0923      0.00000
     11      16.5266      0.00000
     12      18.5450      0.00000
     13      20.1314      0.00000
     14      21.5487      0.00000
     15      22.2743      0.00000
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 k-point   146 :       0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.4825      2.00000
      2       1.2169      2.00000
      3       3.7202      2.00000
      4       4.0861      2.00000
      5       7.9051      0.00000
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     10      16.0055      0.00000
     11      16.7047      0.00000
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     13      19.6939      0.00000
     14      21.3945      0.00000
     15      22.2282      0.00000
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 k-point   147 :       0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6512      2.00000
      3       2.8396      2.00000
      4       3.8368      2.00000
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     10      16.9125      0.00000
     11      18.1508      0.00000
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     13      20.3871      0.00000
     14      21.0419      0.00000
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 k-point   148 :       0.7273    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.7276      2.00000
      2      -0.7273      2.00000
      3       1.9002      2.00000
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     10      16.9664      0.00000
     11      18.8319      0.00000
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     14      22.4899      0.00000
     15      23.2198      0.00000
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 k-point   149 :      -0.1818   -0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3690      2.00000
      2      -0.0122      2.00000
      3       2.1744      2.00000
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     10      15.8275      0.00000
     11      19.7510      0.00000
     12      20.1095      0.00000
     13      20.4450      0.00000
     14      20.8376      0.00000
     15      23.0112      0.00000
     16      24.2299      0.00000

 k-point   150 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2304      2.00000
      2       0.9450      2.00000
      3       2.6029      2.00000
      4       4.5277      2.00000
      5       9.3710      0.00000
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      8      11.8770      0.00000
      9      13.7043      0.00000
     10      16.6934      0.00000
     11      18.2947      0.00000
     12      18.6514      0.00000
     13      19.7426      0.00000
     14      22.0918      0.00000
     15      22.4827      0.00000
     16      25.0603      0.00000

 k-point   151 :       0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.9760      2.00000
      2       0.6514      2.00000
      3       2.8400      2.00000
      4       3.8365      2.00000
      5       8.1303      0.00000
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      8      12.5680      0.00000
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     10      16.9114      0.00000
     11      18.1490      0.00000
     12      18.7218      0.00000
     13      20.3890      0.00000
     14      21.0436      0.00000
     15      22.6666      0.00000
     16      24.4817      0.00000

 k-point   152 :       0.4545    0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.5344      2.00000
      2       0.1232      2.00000
      3       2.6726      2.00000
      4       3.5953      2.00000
      5       7.3029      0.00000
      6       9.4479      0.00000
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      9      17.2642      0.00000
     10      17.3691      0.00000
     11      17.9016      0.00000
     12      18.1872      0.00000
     13      19.9456      0.00000
     14      21.9664      0.00000
     15      22.9950      0.00000
     16      24.6943      0.00000

 k-point   153 :      -0.4545   -0.5455   -0.8182
  band No.  band energies     occupation 
      1      -2.9325      2.00000
      2      -0.4880      2.00000
      3       2.3082      2.00000
      4       3.1319      2.00000
      5       7.7118      0.00000
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      7      12.1567      0.00000
      8      14.3225      0.00000
      9      15.4846      0.00000
     10      17.4150      0.00000
     11      18.2713      0.00000
     12      20.1600      0.00000
     13      20.8078      0.00000
     14      21.4575      0.00000
     15      23.3570      0.00000
     16      23.9590      0.00000

 k-point   154 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5498      2.00000
      2      -0.0721      2.00000
      3       2.2497      2.00000
      4       4.1056      2.00000
      5       8.9369      0.00000
      6       9.9969      0.00000
      7      11.5490      0.00000
      8      12.3234      0.00000
      9      14.6847      0.00000
     10      14.9892      0.00000
     11      18.6283      0.00000
     12      20.4717      0.00000
     13      20.8497      0.00000
     14      21.3490      0.00000
     15      23.6445      0.00000
     16      24.0574      0.00000

 k-point   155 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3230      2.00000
      2      -0.0576      2.00000
      3       2.1812      2.00000
      4       3.3807      2.00000
      5       9.1307      0.00000
      6       9.7744      0.00000
      7      10.4524      0.00000
      8      13.8491      0.00000
      9      15.1491      0.00000
     10      15.7255      0.00000
     11      19.7523      0.00000
     12      20.2981      0.00000
     13      20.4487      0.00000
     14      20.8663      0.00000
     15      23.0436      0.00000
     16      24.3473      0.00000

 k-point   156 :      -0.5455   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -2.9325      2.00000
      2      -0.4879      2.00000
      3       2.3084      2.00000
      4       3.1320      2.00000
      5       7.7114      0.00000
      6       9.2676      0.00000
      7      12.1544      0.00000
      8      14.3248      0.00000
      9      15.4821      0.00000
     10      17.4170      0.00000
     11      18.2740      0.00000
     12      20.1581      0.00000
     13      20.8088      0.00000
     14      21.4600      0.00000
     15      23.3562      0.00000
     16      23.9597      0.00000

 k-point   157 :      -0.4545   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -2.3983      2.00000
      2      -1.0864      2.00000
      3       2.1136      2.00000
      4       3.3419      2.00000
      5       6.9617      0.00000
      6       9.0592      0.00000
      7      14.0006      0.00000
      8      14.2043      0.00000
      9      15.9220      0.00000
     10      15.9589      0.00000
     11      19.5001      0.00000
     12      20.0618      0.00000
     13      21.6160      0.00000
     14      21.6272      0.00000
     15      22.4019      0.00000
     16      24.4626      0.00000

 k-point   158 :      -0.3636   -0.4545   -0.8182
  band No.  band energies     occupation 
      1      -1.8490      2.00000
      2      -1.6053      2.00000
      3       2.1046      2.00000
      4       2.9077      2.00000
      5       7.5621      0.00000
      6       9.0715      0.00000
      7      13.6256      0.00000
      8      13.8190      0.00000
      9      15.9202      0.00000
     10      16.5153      0.00000
     11      19.2484      0.00000
     12      20.1186      0.00000
     13      21.8167      0.00000
     14      22.6276      0.00000
     15      23.0279      0.00000
     16      23.3899      0.00000

 k-point   159 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.0540      2.00000
      2      -0.7563      2.00000
      3       2.2663      2.00000
      4       3.7980      2.00000
      5       8.5711      0.00000
      6      10.2081      0.00000
      7      12.4128      0.00000
      8      12.9109      0.00000
      9      13.3108      0.00000
     10      16.2363      0.00000
     11      18.4542      0.00000
     12      19.3641      0.00000
     13      21.7686      0.00000
     14      22.5081      0.00000
     15      23.4972      0.00000
     16      24.6182      0.00000

 k-point   160 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6957      2.00000
      2      -0.7635      2.00000
      3       1.9075      2.00000
      4       3.0569      2.00000
      5       9.5852      0.00000
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      9      14.3420      0.00000
     10      16.8883      0.00000
     11      18.9010      0.00000
     12      20.2389      0.00000
     13      21.7090      0.00000
     14      22.7186      0.00000
     15      23.2151      0.00000
     16      24.7489      0.00000

 k-point   161 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.2548      2.00000
      2      -1.1209      2.00000
      3       2.1245      2.00000
      4       2.5162      2.00000
      5       8.9974      0.00000
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      9      15.8429      0.00000
     10      17.3283      0.00000
     11      18.7037      0.00000
     12      20.0651      0.00000
     13      21.8550      0.00000
     14      22.7199      0.00000
     15      23.2357      0.00000
     16      24.5187      0.00000

 k-point   162 :      -0.4545   -0.3636   -0.8182
  band No.  band energies     occupation 
      1      -1.8490      2.00000
      2      -1.6052      2.00000
      3       2.1047      2.00000
      4       2.9079      2.00000
      5       7.5617      0.00000
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      7      13.6232      0.00000
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      9      15.9227      0.00000
     10      16.5180      0.00000
     11      19.2510      0.00000
     12      20.1212      0.00000
     13      21.8141      0.00000
     14      22.6250      0.00000
     15      23.0282      0.00000
     16      23.3907      0.00000

 k-point   163 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.3365      2.00000
      2      -0.3795      2.00000
      3       2.4883      2.00000
      4       3.6997      2.00000
      5       8.3593      0.00000
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     10      16.9850      0.00000
     11      17.9844      0.00000
     12      19.2541      0.00000
     13      19.9257      0.00000
     14      22.6314      0.00000
     15      24.2005      0.00000
     16      24.7698      0.00000

 k-point   164 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.7274      2.00000
      2      -0.7271      2.00000
      3       1.9002      2.00000
      4       3.0555      2.00000
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      6      10.0113      0.00000
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     10      16.9685      0.00000
     11      18.8335      0.00000
     12      20.2416      0.00000
     13      21.7233      0.00000
     14      22.4898      0.00000
     15      23.2213      0.00000
     16      24.9707      0.00000

 k-point   165 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.1144      2.00000
      2      -1.2309      2.00000
      3       1.8315      2.00000
      4       2.5703      2.00000
      5       9.5207      0.00000
      6      10.5905      0.00000
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      9      15.8932      0.00000
     10      17.0194      0.00000
     11      19.0616      0.00000
     12      20.1734      0.00000
     13      21.8652      0.00000
     14      22.9286      0.00000
     15      24.4540      0.00000
     16      24.5409      0.00000

 k-point   166 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.0138      2.00000
      2       0.6572      2.00000
      3       2.8554      2.00000
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      5       8.2310      0.00000
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     10      16.7712      0.00000
     11      17.9981      0.00000
     12      18.6725      0.00000
     13      20.3674      0.00000
     14      21.0044      0.00000
     15      22.5210      0.00000
     16      24.4517      0.00000

 k-point   167 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3687      2.00000
      2      -0.0119      2.00000
      3       2.1742      2.00000
      4       3.3792      2.00000
      5       9.1851      0.00000
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     10      15.8291      0.00000
     11      19.7516      0.00000
     12      20.1095      0.00000
     13      20.4464      0.00000
     14      20.8393      0.00000
     15      23.0129      0.00000
     16      24.2305      0.00000

 k-point   168 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.6329      2.00000
      2       1.7569      2.00000
      3       3.4238      2.00000
      4       4.1779      2.00000
      5       7.8712      0.00000
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     10      16.1119      0.00000
     11      17.6493      0.00000
     12      18.7067      0.00000
     13      19.9118      0.00000
     14      21.4298      0.00000
     15      21.4304      0.00000
     16      23.8713      0.00000

 k-point   169 :       0.0000    0.0000    0.2727
  band No.  band energies     occupation 
      1      -5.0776      2.00000
      2       1.7139      2.00000
      3       5.1779      2.00000
      4       5.1860      2.00000
      5       8.0295      0.00000
      6       9.5298      0.00000
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      8      13.3505      0.00000
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     10      13.5875      0.00000
     11      15.0535      0.00000
     12      18.6881      0.00000
     13      21.2391      0.00000
     14      21.2413      0.00000
     15      23.6954      0.00000
     16      23.8704      0.00000

 k-point   170 :       0.0909   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -5.1784      2.00000
      2       2.2578      2.00000
      3       4.7997      2.00000
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     10      14.1680      0.00000
     11      15.6766      0.00000
     12      18.1810      0.00000
     13      20.0852      0.00000
     14      21.3307      0.00000
     15      23.4590      0.00000
     16      24.1393      0.00000

 k-point   171 :       0.1818    0.0000    0.2727
  band No.  band energies     occupation 
      1      -5.0669      2.00000
      2       2.5877      2.00000
      3       4.3035      2.00000
      4       4.3421      2.00000
      5       7.6764      0.00000
      6       9.7450      0.00000
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     10      14.7733      0.00000
     11      16.9751      0.00000
     12      18.3935      0.00000
     13      19.3725      0.00000
     14      20.7077      0.00000
     15      23.4219      0.00000
     16      23.9569      0.00000

 k-point   172 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7464      2.00000
      2       2.1371      2.00000
      3       3.9632      2.00000
      4       3.9636      2.00000
      5       7.0373      0.00000
      6       8.8421      0.00000
      7      12.3013      0.00000
      8      12.3036      0.00000
      9      14.8590      0.00000
     10      15.2620      0.00000
     11      18.1421      0.00000
     12      19.4308      0.00000
     13      19.4435      0.00000
     14      20.2656      0.00000
     15      23.1973      0.00000
     16      23.2524      0.00000

 k-point   173 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2319      2.00000
      2       1.1764      2.00000
      3       3.3873      2.00000
      4       3.7338      2.00000
      5       7.1820      0.00000
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      7      12.6915      0.00000
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      9      16.0140      0.00000
     10      16.2760      0.00000
     11      18.3464      0.00000
     12      19.4603      0.00000
     13      20.0165      0.00000
     14      20.9937      0.00000
     15      22.0119      0.00000
     16      22.9708      0.00000

 k-point   174 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5699      2.00000
      2       0.1313      2.00000
      3       2.6484      2.00000
      4       3.6756      2.00000
      5       7.3725      0.00000
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      7      12.5506      0.00000
      8      12.6607      0.00000
      9      17.2138      0.00000
     10      17.3954      0.00000
     11      17.7770      0.00000
     12      18.1962      0.00000
     13      19.9458      0.00000
     14      21.8835      0.00000
     15      22.9694      0.00000
     16      24.7677      0.00000

 k-point   175 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9499      2.00000
      2      -0.6896      2.00000
      3       2.0763      2.00000
      4       3.7923      2.00000
      5       7.5106      0.00000
      6      10.8512      0.00000
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      8      12.4499      0.00000
      9      15.5508      0.00000
     10      15.7586      0.00000
     11      19.2675      0.00000
     12      19.4464      0.00000
     13      20.0930      0.00000
     14      23.8716      0.00000
     15      23.9724      0.00000
     16      24.4933      0.00000

 k-point   176 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9886      2.00000
      2      -0.6314      2.00000
      3       1.7914      2.00000
      4       4.0714      2.00000
      5       7.8091      0.00000
      6      11.9052      0.00000
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      8      12.9639      0.00000
      9      13.8147      0.00000
     10      14.0047      0.00000
     11      19.3818      0.00000
     12      21.2337      0.00000
     13      21.5181      0.00000
     14      22.2295      0.00000
     15      22.9934      0.00000
     16      24.2286      0.00000

 k-point   177 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6214      2.00000
      2       0.1359      2.00000
      3       1.9464      2.00000
      4       4.4779      2.00000
      5       8.2673      0.00000
      6      11.3151      0.00000
      7      11.6598      0.00000
      8      12.6526      0.00000
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     10      14.8985      0.00000
     11      19.2517      0.00000
     12      19.9545      0.00000
     13      20.5782      0.00000
     14      22.9928      0.00000
     15      23.3642      0.00000
     16      23.8438      0.00000

 k-point   178 :      -0.1818    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2693      2.00000
      2       0.7650      2.00000
      3       2.7994      2.00000
      4       4.9286      2.00000
      5       8.7292      0.00000
      6      10.3136      0.00000
      7      10.4377      0.00000
      8      12.5338      0.00000
      9      12.6686      0.00000
     10      16.2593      0.00000
     11      18.1451      0.00000
     12      18.2513      0.00000
     13      20.2065      0.00000
     14      22.3172      0.00000
     15      23.0030      0.00000
     16      24.0550      0.00000

 k-point   179 :      -0.0909   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2188      2.00000
      3       4.1249      2.00000
      4       5.2407      2.00000
      5       8.5160      0.00000
      6       9.6246      0.00000
      7       9.7918      0.00000
      8      12.8312      0.00000
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     10      15.4433      0.00000
     11      15.7683      0.00000
     12      19.1368      0.00000
     13      20.4209      0.00000
     14      22.2355      0.00000
     15      22.3245      0.00000
     16      24.1268      0.00000

 k-point   180 :       0.0000    0.0909    0.2727
  band No.  band energies     occupation 
      1      -5.1785      2.00000
      2       2.2578      2.00000
      3       4.8004      2.00000
      4       4.9693      2.00000
      5       8.4827      0.00000
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      8      11.4014      0.00000
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     10      14.1682      0.00000
     11      15.6769      0.00000
     12      18.1809      0.00000
     13      20.0865      0.00000
     14      21.3302      0.00000
     15      23.4576      0.00000
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 k-point   181 :       0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -5.3544      2.00000
      2       2.7889      2.00000
      3       4.4914      2.00000
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      5       8.7742      0.00000
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     10      14.4842      0.00000
     11      15.8760      0.00000
     12      17.5770      0.00000
     13      19.3502      0.00000
     14      21.2350      0.00000
     15      23.7341      0.00000
     16      24.7693      0.00000

 k-point   182 :       0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -5.3169      2.00000
      2       3.0310      2.00000
      3       4.2135      2.00000
      4       5.2202      2.00000
      5       8.3477      0.00000
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     10      14.6634      0.00000
     11      16.4773      0.00000
     12      17.6501      0.00000
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     14      20.9086      0.00000
     15      23.7149      0.00000
     16      25.1236      0.00000

 k-point   183 :       0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.6151      2.00000
      2       1.7362      2.00000
      3       3.4452      2.00000
      4       4.1914      2.00000
      5       7.8265      0.00000
      6       9.3626      0.00000
      7      11.1238      0.00000
      8      12.1851      0.00000
      9      14.6930      0.00000
     10      16.2442      0.00000
     11      17.7037      0.00000
     12      18.6757      0.00000
     13      20.0481      0.00000
     14      21.4957      0.00000
     15      21.6415      0.00000
     16      23.8599      0.00000

 k-point   184 :       0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.9938      2.00000
      2       0.6364      2.00000
      3       2.8487      2.00000
      4       3.8876      2.00000
      5       8.1754      0.00000
      6       9.8135      0.00000
      7      10.8281      0.00000
      8      12.6453      0.00000
      9      15.4362      0.00000
     10      16.9773      0.00000
     11      18.2268      0.00000
     12      18.7047      0.00000
     13      20.2269      0.00000
     14      20.9929      0.00000
     15      22.5648      0.00000
     16      24.5730      0.00000

 k-point   185 :      -0.4545    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.3174      2.00000
      2      -0.3913      2.00000
      3       2.4584      2.00000
      4       3.7390      2.00000
      5       8.3145      0.00000
      6      10.3672      0.00000
      7      11.2556      0.00000
      8      12.6396      0.00000
      9      15.2566      0.00000
     10      16.7631      0.00000
     11      17.8275      0.00000
     12      19.2051      0.00000
     13      20.2295      0.00000
     14      22.5786      0.00000
     15      24.3002      0.00000
     16      24.8300      0.00000

 k-point   186 :      -0.3636    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.0464      2.00000
      2      -0.7503      2.00000
      3       2.2318      2.00000
      4       3.8270      2.00000
      5       8.5445      0.00000
      6      10.0951      0.00000
      7      12.4975      0.00000
      8      12.9730      0.00000
      9      13.4631      0.00000
     10      16.0565      0.00000
     11      18.3585      0.00000
     12      19.2003      0.00000
     13      22.0982      0.00000
     14      22.5348      0.00000
     15      23.5299      0.00000
     16      24.6880      0.00000

 k-point   187 :      -0.2727    0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.5501      2.00000
      2      -0.0571      2.00000
      3       2.2237      2.00000
      4       4.1181      2.00000
      5       8.9264      0.00000
      6       9.8867      0.00000
      7      11.7258      0.00000
      8      12.3964      0.00000
      9      14.5407      0.00000
     10      14.9903      0.00000
     11      18.6700      0.00000
     12      20.4540      0.00000
     13      20.6644      0.00000
     14      21.2691      0.00000
     15      23.8868      0.00000
     16      24.3076      0.00000

 k-point   188 :      -0.1818    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2301      2.00000
      2       0.9462      2.00000
      3       2.6010      2.00000
      4       4.5298      2.00000
      5       9.3809      0.00000
      6       9.4947      0.00000
      7      10.7484      0.00000
      8      11.8749      0.00000
      9      13.7122      0.00000
     10      16.6894      0.00000
     11      18.2934      0.00000
     12      18.6496      0.00000
     13      19.7435      0.00000
     14      22.0925      0.00000
     15      22.4621      0.00000
     16      25.0932      0.00000

 k-point   189 :      -0.0909    0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.7963      2.00000
      2       1.6951      2.00000
      3       3.5941      2.00000
      4       4.8906      2.00000
      5       8.7512      0.00000
      6       9.6418      0.00000
      7      10.7384      0.00000
      8      11.0096      0.00000
      9      13.7765      0.00000
     10      16.0879      0.00000
     11      16.4733      0.00000
     12      18.5880      0.00000
     13      20.1553      0.00000
     14      21.5735      0.00000
     15      22.3271      0.00000
     16      24.5168      0.00000

 k-point   190 :      -0.0000    0.1818    0.2727
  band No.  band energies     occupation 
      1      -5.0671      2.00000
      2       2.5874      2.00000
      3       4.3036      2.00000
      4       4.3426      2.00000
      5       7.6773      0.00000
      6       9.7450      0.00000
      7      10.9368      0.00000
      8      11.3054      0.00000
      9      14.3620      0.00000
     10      14.7744      0.00000
     11      16.9748      0.00000
     12      18.3936      0.00000
     13      19.3732      0.00000
     14      20.7080      0.00000
     15      23.4205      0.00000
     16      23.9568      0.00000

 k-point   191 :       0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -5.3170      2.00000
      2       3.0308      2.00000
      3       4.2137      2.00000
      4       5.2203      2.00000
      5       8.3486      0.00000
      6       9.6823      0.00000
      7      10.4480      0.00000
      8      10.8524      0.00000
      9      13.1749      0.00000
     10      14.6640      0.00000
     11      16.4769      0.00000
     12      17.6505      0.00000
     13      18.9288      0.00000
     14      20.9099      0.00000
     15      23.7152      0.00000
     16      25.1209      0.00000

 k-point   192 :       0.3636    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.7961      2.00000
      2       1.6950      2.00000
      3       3.5934      2.00000
      4       4.8912      2.00000
      5       8.7504      0.00000
      6       9.6426      0.00000
      7      10.7381      0.00000
      8      11.0094      0.00000
      9      13.7765      0.00000
     10      16.0893      0.00000
     11      16.4724      0.00000
     12      18.5871      0.00000
     13      20.1557      0.00000
     14      21.5737      0.00000
     15      22.3275      0.00000
     16      24.5170      0.00000

 k-point   193 :       0.4545    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.2299      2.00000
      2       0.9460      2.00000
      3       2.6003      2.00000
      4       4.5306      2.00000
      5       9.3815      0.00000
      6       9.4938      0.00000
      7      10.7479      0.00000
      8      11.8749      0.00000
      9      13.7126      0.00000
     10      16.6902      0.00000
     11      18.2949      0.00000
     12      18.6476      0.00000
     13      19.7437      0.00000
     14      22.0922      0.00000
     15      22.4617      0.00000
     16      25.0909      0.00000

 k-point   194 :       0.5455    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5499      2.00000
      2      -0.0574      2.00000
      3       2.2231      2.00000
      4       4.1190      2.00000
      5       8.9272      0.00000
      6       9.8857      0.00000
      7      11.7248      0.00000
      8      12.3966      0.00000
      9      14.5415      0.00000
     10      14.9917      0.00000
     11      18.6686      0.00000
     12      20.4553      0.00000
     13      20.6638      0.00000
     14      21.2678      0.00000
     15      23.8856      0.00000
     16      24.3065      0.00000

 k-point   195 :       0.6364    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.0464      2.00000
      2      -0.7505      2.00000
      3       2.2314      2.00000
      4       3.8277      2.00000
      5       8.5453      0.00000
      6      10.0943      0.00000
      7      12.4980      0.00000
      8      12.9739      0.00000
      9      13.4622      0.00000
     10      16.0573      0.00000
     11      18.3575      0.00000
     12      19.2000      0.00000
     13      22.0961      0.00000
     14      22.5366      0.00000
     15      23.5277      0.00000
     16      24.6888      0.00000

 k-point   196 :       0.7273    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.3176      2.00000
      2      -0.3913      2.00000
      3       2.4584      2.00000
      4       3.7393      2.00000
      5       8.3153      0.00000
      6      10.3665      0.00000
      7      11.2567      0.00000
      8      12.6401      0.00000
      9      15.2551      0.00000
     10      16.7626      0.00000
     11      17.8284      0.00000
     12      19.2052      0.00000
     13      20.2276      0.00000
     14      22.5800      0.00000
     15      24.3014      0.00000
     16      24.8307      0.00000

 k-point   197 :      -0.1818    0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.9941      2.00000
      2       0.6364      2.00000
      3       2.8491      2.00000
      4       3.8876      2.00000
      5       8.1762      0.00000
      6       9.8142      0.00000
      7      10.8273      0.00000
      8      12.6458      0.00000
      9      15.4361      0.00000
     10      16.9762      0.00000
     11      18.2252      0.00000
     12      18.7052      0.00000
     13      20.2275      0.00000
     14      20.9932      0.00000
     15      22.5651      0.00000
     16      24.5730      0.00000

 k-point   198 :      -0.0909    0.1818    0.2727
  band No.  band energies     occupation 
      1      -4.6154      2.00000
      2       1.7359      2.00000
      3       3.4460      2.00000
      4       4.1913      2.00000
      5       7.8275      0.00000
      6       9.3627      0.00000
      7      11.1229      0.00000
      8      12.1856      0.00000
      9      14.6935      0.00000
     10      16.2430      0.00000
     11      17.7035      0.00000
     12      18.6768      0.00000
     13      20.0476      0.00000
     14      21.4956      0.00000
     15      21.6410      0.00000
     16      23.8640      0.00000

 k-point   199 :       0.0000    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.7467      2.00000
      2       2.1362      2.00000
      3       3.9640      2.00000
      4       3.9642      2.00000
      5       7.0382      0.00000
      6       8.8420      0.00000
      7      12.3020      0.00000
      8      12.3025      0.00000
      9      14.8579      0.00000
     10      15.2633      0.00000
     11      18.1410      0.00000
     12      19.4318      0.00000
     13      19.4430      0.00000
     14      20.2660      0.00000
     15      23.1952      0.00000
     16      23.2499      0.00000

 k-point   200 :       0.3636    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.7693      2.00000
      2       1.2187      2.00000
      3       4.1242      2.00000
      4       5.2415      2.00000
      5       8.5164      0.00000
      6       9.6247      0.00000
      7       9.7914      0.00000
      8      12.8308      0.00000
      9      12.9949      0.00000
     10      15.4421      0.00000
     11      15.7697      0.00000
     12      19.1366      0.00000
     13      20.4218      0.00000
     14      22.2345      0.00000
     15      22.3244      0.00000
     16      24.1253      0.00000

 k-point   201 :       0.4545    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.2691      2.00000
      2       0.7647      2.00000
      3       2.7987      2.00000
      4       4.9294      2.00000
      5       8.7302      0.00000
      6      10.3140      0.00000
      7      10.4366      0.00000
      8      12.5330      0.00000
      9      12.6691      0.00000
     10      16.2592      0.00000
     11      18.1465      0.00000
     12      18.2511      0.00000
     13      20.2055      0.00000
     14      22.3164      0.00000
     15      23.0019      0.00000
     16      24.0536      0.00000

 k-point   202 :       0.5455    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.6212      2.00000
      2       0.1354      2.00000
      3       1.9458      2.00000
      4       4.4789      2.00000
      5       8.2684      0.00000
      6      11.3151      0.00000
      7      11.6589      0.00000
      8      12.6524      0.00000
      9      12.7690      0.00000
     10      14.9001      0.00000
     11      19.2491      0.00000
     12      19.9530      0.00000
     13      20.5800      0.00000
     14      22.9919      0.00000
     15      23.3591      0.00000
     16      23.8436      0.00000

 k-point   203 :       0.6364    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.9885      2.00000
      2      -0.6318      2.00000
      3       1.7909      2.00000
      4       4.0723      2.00000
      5       7.8101      0.00000
      6      11.9045      0.00000
      7      12.0243      0.00000
      8      12.9651      0.00000
      9      13.8155      0.00000
     10      14.0036      0.00000
     11      19.3800      0.00000
     12      21.2331      0.00000
     13      21.5156      0.00000
     14      22.2279      0.00000
     15      22.9949      0.00000
     16      24.2261      0.00000

 k-point   204 :       0.7273    0.2727    0.2727
  band No.  band energies     occupation 
      1      -2.9502      2.00000
      2      -0.6898      2.00000
      3       2.0759      2.00000
      4       3.7931      2.00000
      5       7.5115      0.00000
      6      10.8526      0.00000
      7      12.2724      0.00000
      8      12.4503      0.00000
      9      15.5518      0.00000
     10      15.7571      0.00000
     11      19.2669      0.00000
     12      19.4452      0.00000
     13      20.0914      0.00000
     14      23.8708      0.00000
     15      23.9721      0.00000
     16      24.4919      0.00000

 k-point   205 :      -0.1818    0.2727    0.2727
  band No.  band energies     occupation 
      1      -3.5702      2.00000
      2       0.1310      2.00000
      3       2.6483      2.00000
      4       3.6764      2.00000
      5       7.3734      0.00000
      6       9.3657      0.00000
      7      12.5495      0.00000
      8      12.6618      0.00000
      9      17.2139      0.00000
     10      17.3949      0.00000
     11      17.7769      0.00000
     12      18.1949      0.00000
     13      19.9451      0.00000
     14      21.8827      0.00000
     15      22.9694      0.00000
     16      24.7669      0.00000

 k-point   206 :      -0.0909    0.2727    0.2727
  band No.  band energies     occupation 
      1      -4.2322      2.00000
      2       1.1758      2.00000
      3       3.3877      2.00000
      4       3.7345      2.00000
      5       7.1830      0.00000
      6       8.5759      0.00000
      7      12.6907      0.00000
      8      12.7873      0.00000
      9      16.0151      0.00000
     10      16.2747      0.00000
     11      18.3458      0.00000
     12      19.4602      0.00000
     13      20.0160      0.00000
     14      20.9933      0.00000
     15      22.0117      0.00000
     16      22.9706      0.00000

 k-point   207 :       0.3636    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.5373      2.00000
      2       0.7285      2.00000
      3       4.5312      2.00000
      4       4.5821      2.00000
      5       8.3213      0.00000
      6       9.4661      0.00000
      7      10.1258      0.00000
      8      12.3582      0.00000
      9      14.9910      0.00000
     10      14.9960      0.00000
     11      15.8085      0.00000
     12      19.8462      0.00000
     13      19.9335      0.00000
     14      21.5104      0.00000
     15      23.1411      0.00000
     16      23.7522      0.00000

 k-point   208 :       0.4545    0.3636    0.2727
  band No.  band energies     occupation 
      1      -4.1121      2.00000
      2       0.3288      2.00000
      3       3.3091      2.00000
      4       4.5179      2.00000
      5       8.7125      0.00000
      6       9.4414      0.00000
      7      10.9031      0.00000
      8      11.9798      0.00000
      9      14.7532      0.00000
     10      15.9394      0.00000
     11      17.8441      0.00000
     12      18.1615      0.00000
     13      20.4812      0.00000
     14      21.6210      0.00000
     15      23.2188      0.00000
     16      24.3642      0.00000

 k-point   209 :       0.5455    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.5230      2.00000
      2      -0.0521      2.00000
      3       2.1941      2.00000
      4       4.0949      2.00000
      5       8.9080      0.00000
      6       9.8133      0.00000
      7      11.8212      0.00000
      8      12.3124      0.00000
      9      14.6144      0.00000
     10      14.9634      0.00000
     11      18.5453      0.00000
     12      20.3911      0.00000
     13      20.8202      0.00000
     14      21.4060      0.00000
     15      24.0625      0.00000
     16      24.2958      0.00000

 k-point   210 :       0.6364    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.8550      2.00000
      2      -0.5988      2.00000
      3       1.6502      2.00000
      4       3.6307      2.00000
      5       8.4041      0.00000
      6      11.1542      0.00000
      7      11.9749      0.00000
      8      12.8456      0.00000
      9      13.7851      0.00000
     10      14.9575      0.00000
     11      20.3695      0.00000
     12      20.8301      0.00000
     13      20.9526      0.00000
     14      22.8825      0.00000
     15      22.9142      0.00000
     16      24.0301      0.00000

 k-point   211 :       0.7273    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.4971      2.00000
      2      -0.9707      2.00000
      3       1.7614      2.00000
      4       3.2950      2.00000
      5       8.0322      0.00000
      6      10.7510      0.00000
      7      12.0069      0.00000
      8      13.3113      0.00000
      9      14.2791      0.00000
     10      16.3413      0.00000
     11      19.4529      0.00000
     12      20.5911      0.00000
     13      21.7971      0.00000
     14      22.2362      0.00000
     15      23.4390      0.00000
     16      24.6895      0.00000

 k-point   212 :       0.8182    0.3636    0.2727
  band No.  band energies     occupation 
      1      -2.9839      2.00000
      2      -0.4476      2.00000
      3       2.2923      2.00000
      4       3.1656      2.00000
      5       7.8210      0.00000
      6       9.1747      0.00000
      7      12.3035      0.00000
      8      14.3572      0.00000
      9      15.3074      0.00000
     10      17.4905      0.00000
     11      18.3200      0.00000
     12      20.0002      0.00000
     13      20.8198      0.00000
     14      21.4001      0.00000
     15      23.4192      0.00000
     16      23.9498      0.00000

 k-point   213 :      -0.0909    0.3636    0.2727
  band No.  band energies     occupation 
      1      -3.6667      2.00000
      2       0.3812      2.00000
      3       2.9525      2.00000
      4       3.3390      2.00000
      5       7.4809      0.00000
      6       8.3372      0.00000
      7      12.6470      0.00000
      8      13.9888      0.00000
      9      16.4052      0.00000
     10      17.3015      0.00000
     11      17.9803      0.00000
     12      19.4941      0.00000
     13      20.3872      0.00000
     14      21.0663      0.00000
     15      22.3993      0.00000
     16      23.2015      0.00000

 k-point   214 :       0.3636    0.4545    0.2727
  band No.  band energies     occupation 
      1      -4.1122      2.00000
      2       0.3290      2.00000
      3       3.3097      2.00000
      4       4.5173      2.00000
      5       8.7119      0.00000
      6       9.4404      0.00000
      7      10.9043      0.00000
      8      11.9795      0.00000
      9      14.7540      0.00000
     10      15.9399      0.00000
     11      17.8425      0.00000
     12      18.1605      0.00000
     13      20.4832      0.00000
     14      21.6224      0.00000
     15      23.2201      0.00000
     16      24.3641      0.00000

 k-point   215 :       0.4545    0.4545    0.2727
  band No.  band energies     occupation 
      1      -3.7692      2.00000
      2      -0.0705      2.00000
      3       3.2279      2.00000
      4       4.0598      2.00000
      5       7.9225      0.00000
      6      10.5733      0.00000
      7      11.0305      0.00000
      8      11.5591      0.00000
      9      16.0654      0.00000
     10      16.9241      0.00000
     11      17.7900      0.00000
     12      17.8838      0.00000
     13      19.0613      0.00000
     14      22.5370      0.00000
     15      24.0166      0.00000
     16      24.5819      0.00000

 k-point   216 :      -0.4545   -0.5455   -0.7273
  band No.  band energies     occupation 
      1      -3.2636      2.00000
      2      -0.4032      2.00000
      3       2.4479      2.00000
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     15      24.3792      0.00000
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 k-point   217 :      -0.3636   -0.5455   -0.7273
  band No.  band energies     occupation 
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     13      21.8221      0.00000
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     15      23.2735      0.00000
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 k-point   218 :       0.7273    0.4545    0.2727
  band No.  band energies     occupation 
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      2      -1.2891      2.00000
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     14      22.9488      0.00000
     15      24.4130      0.00000
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 k-point   219 :      -0.1818   -0.5455    0.2727
  band No.  band energies     occupation 
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      2      -1.0667      2.00000
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     10      17.3564      0.00000
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     12      20.0300      0.00000
     13      21.8516      0.00000
     14      22.5455      0.00000
     15      23.2476      0.00000
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 k-point   220 :       0.3636    0.5455    0.2727
  band No.  band energies     occupation 
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     10      14.9619      0.00000
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     13      20.8228      0.00000
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     15      24.0630      0.00000
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 k-point   221 :      -0.5455   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -3.2636      2.00000
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     10      16.8582      0.00000
     11      17.9096      0.00000
     12      19.2323      0.00000
     13      20.0916      0.00000
     14      22.7722      0.00000
     15      24.3799      0.00000
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 k-point   222 :      -0.4545   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -2.8706      2.00000
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     11      19.3474      0.00000
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     13      20.0944      0.00000
     14      23.9554      0.00000
     15      24.0457      0.00000
     16      24.6328      0.00000

 k-point   223 :      -0.3636   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -2.3993      2.00000
      2      -1.0432      2.00000
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     10      16.2666      0.00000
     11      19.3588      0.00000
     12      20.5744      0.00000
     13      21.9251      0.00000
     14      22.3947      0.00000
     15      23.5713      0.00000
     16      24.6309      0.00000

 k-point   224 :      -0.2727   -0.4545   -0.7273
  band No.  band energies     occupation 
      1      -1.9687      2.00000
      2      -1.3593      2.00000
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     10      16.9108      0.00000
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     13      21.9352      0.00000
     14      22.9663      0.00000
     15      24.5444      0.00000
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 k-point   225 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.8550      2.00000
      2      -0.5983      2.00000
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 k-point   226 :      -0.5455   -0.3636   -0.7273
  band No.  band energies     occupation 
      1      -2.6423      2.00000
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 k-point   227 :      -0.4545   -0.3636   -0.7273
  band No.  band energies     occupation 
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 k-point   228 :      -0.3636   -0.3636   -0.7273
  band No.  band energies     occupation 
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     14      21.9411      0.00000
     15      22.0885      0.00000
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 k-point   229 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
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 k-point   230 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
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 k-point   231 :      -0.4545   -0.2727   -0.7273
  band No.  band energies     occupation 
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 k-point   232 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
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 k-point   233 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
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 k-point   234 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
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     14      21.0676      0.00000
     15      22.4000      0.00000
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 k-point   235 :      -0.0000   -0.0000    0.3636
  band No.  band energies     occupation 
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 k-point   236 :       0.0909    0.0000    0.3636
  band No.  band energies     occupation 
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     15      23.1999      0.00000
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 k-point   237 :       0.1818    0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.4715      2.00000
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     15      22.3565      0.00000
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 k-point   238 :       0.2727    0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.2108      2.00000
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      3       3.4382      2.00000
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     15      22.1731      0.00000
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 k-point   239 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7552      2.00000
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      3       3.4471      2.00000
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     14      21.6599      0.00000
     15      21.9132      0.00000
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 k-point   240 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1323      2.00000
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      3       2.8779      2.00000
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     15      22.0609      0.00000
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 k-point   241 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4539      2.00000
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      3       2.0779      2.00000
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     10      15.9746      0.00000
     11      19.4110      0.00000
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     13      21.6241      0.00000
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     15      22.3812      0.00000
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 k-point   242 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3528      2.00000
      2      -1.1140      2.00000
      3       1.5857      2.00000
      4       3.6666      2.00000
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     10      14.3714      0.00000
     11      21.0796      0.00000
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     14      21.9599      0.00000
     15      22.1579      0.00000
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 k-point   243 :      -0.2727   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.9454      2.00000
      2      -0.6584      2.00000
      3       1.7786      2.00000
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     10      14.1571      0.00000
     11      19.1832      0.00000
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     14      22.3423      0.00000
     15      22.8842      0.00000
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 k-point   244 :      -0.1818    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.5595      2.00000
      2      -0.4027      2.00000
      3       2.7262      2.00000
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     10      14.8028      0.00000
     11      17.5255      0.00000
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     13      21.0603      0.00000
     14      21.5819      0.00000
     15      22.8527      0.00000
     16      25.2217      0.00000

 k-point   245 :      -0.0909    0.0000    0.3636
  band No.  band energies     occupation 
      1      -4.0559      2.00000
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      3       4.0101      2.00000
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     10      15.3245      0.00000
     11      17.4203      0.00000
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     14      21.1455      0.00000
     15      23.1214      0.00000
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 k-point   246 :      -0.0000    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.5296      2.00000
      2       0.7062      2.00000
      3       4.5679      2.00000
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     10      15.0895      0.00000
     11      15.9417      0.00000
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     14      21.5366      0.00000
     15      23.2013      0.00000
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 k-point   247 :       0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.7581      2.00000
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     10      15.4827      0.00000
     11      16.0084      0.00000
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 k-point   248 :       0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.7816      2.00000
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     10      16.3015      0.00000
     11      16.5585      0.00000
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     14      21.7579      0.00000
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 k-point   249 :       0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.5972      2.00000
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      3       3.4707      2.00000
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      9      14.6107      0.00000
     10      16.3919      0.00000
     11      17.7707      0.00000
     12      18.6312      0.00000
     13      20.1736      0.00000
     14      21.6320      0.00000
     15      21.8074      0.00000
     16      23.9223      0.00000

 k-point   250 :       0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.6425      2.00000
      2       0.3485      2.00000
      3       2.9589      2.00000
      4       3.3633      2.00000
      5       7.4548      0.00000
      6       8.2990      0.00000
      7      12.5277      0.00000
      8      13.9594      0.00000
      9      16.3472      0.00000
     10      17.4932      0.00000
     11      18.1535      0.00000
     12      19.4594      0.00000
     13      20.3591      0.00000
     14      21.0490      0.00000
     15      22.4793      0.00000
     16      23.1288      0.00000

 k-point   251 :      -0.4545    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.9586      2.00000
      2      -0.4739      2.00000
      3       2.2731      2.00000
      4       3.2006      2.00000
      5       7.7883      0.00000
      6       9.1639      0.00000
      7      12.1666      0.00000
      8      14.4549      0.00000
      9      15.5056      0.00000
     10      17.2961      0.00000
     11      18.1448      0.00000
     12      20.2493      0.00000
     13      20.9090      0.00000
     14      21.4229      0.00000
     15      23.3649      0.00000
     16      23.8825      0.00000

 k-point   252 :      -0.3636    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4818      2.00000
      2      -0.9808      2.00000
      3       1.7452      2.00000
      4       3.3132      2.00000
      5       8.0147      0.00000
      6      10.7407      0.00000
      7      11.8599      0.00000
      8      13.5168      0.00000
      9      14.3809      0.00000
     10      16.1808      0.00000
     11      19.1932      0.00000
     12      20.6902      0.00000
     13      22.1190      0.00000
     14      22.3731      0.00000
     15      23.3611      0.00000
     16      24.5184      0.00000

 k-point   253 :      -0.2727    0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.8541      2.00000
      2      -0.5989      2.00000
      3       1.6502      2.00000
      4       3.6312      2.00000
      5       8.4016      0.00000
      6      11.1787      0.00000
      7      11.9489      0.00000
      8      12.8404      0.00000
      9      13.7699      0.00000
     10      14.9784      0.00000
     11      20.3496      0.00000
     12      20.7514      0.00000
     13      21.0365      0.00000
     14      22.8687      0.00000
     15      22.9673      0.00000
     16      24.0352      0.00000

 k-point   254 :      -0.1818    0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.5219      2.00000
      2      -0.0666      2.00000
      3       2.2191      2.00000
      4       4.0848      2.00000
      5       8.9147      0.00000
      6       9.9254      0.00000
      7      11.6304      0.00000
      8      12.2452      0.00000
      9      14.7573      0.00000
     10      14.9666      0.00000
     11      18.5033      0.00000
     12      20.3756      0.00000
     13      21.0459      0.00000
     14      21.4644      0.00000
     15      23.7939      0.00000
     16      24.0778      0.00000

 k-point   255 :      -0.0909    0.0909    0.3636
  band No.  band energies     occupation 
      1      -4.1079      2.00000
      2       0.3067      2.00000
      3       3.3455      2.00000
      4       4.5168      2.00000
      5       8.8035      0.00000
      6       9.3846      0.00000
      7      10.8653      0.00000
      8      11.7980      0.00000
      9      14.9149      0.00000
     10      15.9245      0.00000
     11      17.8332      0.00000
     12      18.1662      0.00000
     13      20.7326      0.00000
     14      21.6476      0.00000
     15      23.1976      0.00000
     16      24.1382      0.00000

 k-point   256 :      -0.0000    0.1818    0.3636
  band No.  band energies     occupation 
      1      -4.4717      2.00000
      2       1.1731      2.00000
      3       3.7574      2.00000
      4       4.1362      2.00000
      5       7.9186      0.00000
      6      10.0908      0.00000
      7      10.7234      0.00000
      8      11.3547      0.00000
      9      15.6081      0.00000
     10      16.1094      0.00000
     11      16.6802      0.00000
     12      19.6843      0.00000
     13      19.7933      0.00000
     14      21.4649      0.00000
     15      22.3572      0.00000
     16      23.7038      0.00000

 k-point   257 :       0.0909    0.1818    0.3636
  band No.  band energies     occupation 
      1      -4.7817      2.00000
      2       1.6762      2.00000
      3       3.6311      2.00000
      4       4.8893      2.00000
      5       8.6722      0.00000
      6       9.6269      0.00000
      7      10.7503      0.00000
      8      10.9295      0.00000
      9      13.6015      0.00000
     10      16.3016      0.00000
     11      16.5583      0.00000
     12      18.5880      0.00000
     13      20.2365      0.00000
     14      21.7582      0.00000
     15      22.3335      0.00000
     16      24.3454      0.00000

 k-point   258 :       0.1818    0.1818    0.3636
  band No.  band energies     occupation 
      1      -4.8863      2.00000
      2       1.9588      2.00000
      3       3.3451      2.00000
      4       5.3452      2.00000
      5       9.0506      0.00000
      6       9.7444      0.00000
      7      10.1160      0.00000
      8      11.7592      0.00000
      9      12.0454      0.00000
     10      16.4109      0.00000
     11      16.9408      0.00000
     12      17.8337      0.00000
     13      20.1063      0.00000
     14      21.5029      0.00000
     15      22.8900      0.00000
     16      24.9291      0.00000

 k-point   259 :       0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.9709      2.00000
      2       0.6213      2.00000
      3       2.8774      2.00000
      4       3.8426      2.00000
      5       8.2023      0.00000
      6       9.7448      0.00000
      7      10.7931      0.00000
      8      12.5090      0.00000
      9      15.6412      0.00000
     10      16.8791      0.00000
     11      18.1385      0.00000
     12      18.6922      0.00000
     13      20.5896      0.00000
     14      21.0630      0.00000
     15      22.7155      0.00000
     16      24.3964      0.00000

 k-point   260 :      -0.4545    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.3218      2.00000
      2      -0.0574      2.00000
      3       2.1788      2.00000
      4       3.3831      2.00000
      5       9.1495      0.00000
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      7      10.4464      0.00000
      8      13.8395      0.00000
      9      15.1499      0.00000
     10      15.7369      0.00000
     11      19.7407      0.00000
     12      20.1932      0.00000
     13      20.5153      0.00000
     14      20.8942      0.00000
     15      23.0587      0.00000
     16      24.3563      0.00000

 k-point   261 :      -0.3636    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6861      2.00000
      2      -0.7561      2.00000
      3       1.8733      2.00000
      4       3.0741      2.00000
      5       9.4972      0.00000
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      7      11.2268      0.00000
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      9      14.4326      0.00000
     10      16.7473      0.00000
     11      18.6455      0.00000
     12      20.3914      0.00000
     13      21.8219      0.00000
     14      22.7394      0.00000
     15      23.2358      0.00000
     16      24.9793      0.00000

 k-point   262 :       0.7273    0.1818    0.3636
  band No.  band energies     occupation 
      1      -2.6863      2.00000
      2      -0.7560      2.00000
      3       1.8737      2.00000
      4       3.0739      2.00000
      5       9.4978      0.00000
      6       9.8952      0.00000
      7      11.2278      0.00000
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      9      14.4327      0.00000
     10      16.7467      0.00000
     11      18.6464      0.00000
     12      20.3917      0.00000
     13      21.8231      0.00000
     14      22.7377      0.00000
     15      23.2356      0.00000
     16      24.9812      0.00000

 k-point   263 :      -0.1818    0.1818   -0.6364
  band No.  band energies     occupation 
      1      -3.3221      2.00000
      2      -0.0574      2.00000
      3       2.1795      2.00000
      4       3.3826      2.00000
      5       9.1506      0.00000
      6       9.7572      0.00000
      7      10.4459      0.00000
      8      13.8397      0.00000
      9      15.1484      0.00000
     10      15.7365      0.00000
     11      19.7424      0.00000
     12      20.1929      0.00000
     13      20.5150      0.00000
     14      20.8942      0.00000
     15      23.0595      0.00000
     16      24.3553      0.00000

 k-point   264 :      -0.0909    0.1818    0.3636
  band No.  band energies     occupation 
      1      -3.9712      2.00000
      2       0.6212      2.00000
      3       2.8780      2.00000
      4       3.8425      2.00000
      5       8.2031      0.00000
      6       9.7455      0.00000
      7      10.7922      0.00000
      8      12.5096      0.00000
      9      15.6411      0.00000
     10      16.8782      0.00000
     11      18.1368      0.00000
     12      18.6924      0.00000
     13      20.5900      0.00000
     14      21.0636      0.00000
     15      22.7159      0.00000
     16      24.3969      0.00000

 k-point   265 :      -0.0000    0.2727    0.3636
  band No.  band energies     occupation 
      1      -4.2111      2.00000
      2       1.1446      2.00000
      3       3.4386      2.00000
      4       3.7226      2.00000
      5       7.1580      0.00000
      6       8.5184      0.00000
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      8      12.7554      0.00000
      9      16.0200      0.00000
     10      16.4046      0.00000
     11      18.3049      0.00000
     12      19.6326      0.00000
     13      20.0522      0.00000
     14      21.0645      0.00000
     15      22.1732      0.00000
     16      23.1740      0.00000

 k-point   266 :       0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -4.5975      2.00000
      2       1.7144      2.00000
      3       3.4711      2.00000
      4       4.2014      2.00000
      5       7.7848      0.00000
      6       9.3055      0.00000
      7      11.0542      0.00000
      8      12.1383      0.00000
      9      14.6101      0.00000
     10      16.3924      0.00000
     11      17.7701      0.00000
     12      18.6313      0.00000
     13      20.1731      0.00000
     14      21.6317      0.00000
     15      21.8075      0.00000
     16      23.9220      0.00000

 k-point   267 :       0.4545    0.2727    0.3636
  band No.  band energies     occupation 
      1      -4.1077      2.00000
      2       0.3065      2.00000
      3       3.3449      2.00000
      4       4.5174      2.00000
      5       8.8028      0.00000
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      8      11.7971      0.00000
      9      14.9153      0.00000
     10      15.9243      0.00000
     11      17.8348      0.00000
     12      18.1671      0.00000
     13      20.7322      0.00000
     14      21.6466      0.00000
     15      23.1959      0.00000
     16      24.1366      0.00000

 k-point   268 :       0.5455    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.5217      2.00000
      2      -0.0669      2.00000
      3       2.2185      2.00000
      4       4.0857      2.00000
      5       8.9155      0.00000
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     10      14.9678      0.00000
     11      18.5020      0.00000
     12      20.3774      0.00000
     13      21.0447      0.00000
     14      21.4633      0.00000
     15      23.7918      0.00000
     16      24.0775      0.00000

 k-point   269 :       0.6364    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.8540      2.00000
      2      -0.5993      2.00000
      3       1.6497      2.00000
      4       3.6321      2.00000
      5       8.4024      0.00000
      6      11.1776      0.00000
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      8      12.8420      0.00000
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     10      14.9795      0.00000
     11      20.3474      0.00000
     12      20.7506      0.00000
     13      21.0355      0.00000
     14      22.8699      0.00000
     15      22.9676      0.00000
     16      24.0335      0.00000

 k-point   270 :       0.7273    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.4820      2.00000
      2      -0.9812      2.00000
      3       1.7450      2.00000
      4       3.3140      2.00000
      5       8.0155      0.00000
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     10      16.1819      0.00000
     11      19.1930      0.00000
     12      20.6890      0.00000
     13      22.1187      0.00000
     14      22.3714      0.00000
     15      23.3598      0.00000
     16      24.5167      0.00000

 k-point   271 :       0.8182    0.2727    0.3636
  band No.  band energies     occupation 
      1      -2.9590      2.00000
      2      -0.4742      2.00000
      3       2.2734      2.00000
      4       3.2011      2.00000
      5       7.7891      0.00000
      6       9.1650      0.00000
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      8      14.4557      0.00000
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     10      17.2964      0.00000
     11      18.1461      0.00000
     12      20.2477      0.00000
     13      20.9085      0.00000
     14      21.4239      0.00000
     15      23.3637      0.00000
     16      23.8824      0.00000

 k-point   272 :      -0.0909    0.2727    0.3636
  band No.  band energies     occupation 
      1      -3.6429      2.00000
      2       0.3479      2.00000
      3       2.9597      2.00000
      4       3.3636      2.00000
      5       7.4558      0.00000
      6       8.2996      0.00000
      7      12.5267      0.00000
      8      13.9603      0.00000
      9      16.3480      0.00000
     10      17.4916      0.00000
     11      18.1520      0.00000
     12      19.4603      0.00000
     13      20.3589      0.00000
     14      21.0493      0.00000
     15      22.4788      0.00000
     16      23.1290      0.00000

 k-point   273 :       0.0000    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.7557      2.00000
      2       0.4876      2.00000
      3       3.4480      2.00000
      4       3.4484      2.00000
      5       6.6661      0.00000
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      7      13.9960      0.00000
      8      13.9987      0.00000
      9      16.3958      0.00000
     10      16.8414      0.00000
     11      19.3763      0.00000
     12      19.3954      0.00000
     13      19.8195      0.00000
     14      21.6599      0.00000
     15      21.9123      0.00000
     16      22.9439      0.00000

 k-point   274 :       0.4545    0.3636    0.3636
  band No.  band energies     occupation 
      1      -4.0558      2.00000
      2      -0.1596      2.00000
      3       4.0093      2.00000
      4       4.9043      2.00000
      5       8.2896      0.00000
      6       9.5283      0.00000
      7       9.6780      0.00000
      8      13.9139      0.00000
      9      14.1765      0.00000
     10      15.3239      0.00000
     11      17.4219      0.00000
     12      18.1378      0.00000
     13      20.6534      0.00000
     14      21.1450      0.00000
     15      23.1200      0.00000
     16      24.5641      0.00000

 k-point   275 :       0.5455    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.5594      2.00000
      2      -0.4030      2.00000
      3       2.7254      2.00000
      4       4.5257      2.00000
      5       8.3304      0.00000
      6      10.3583      0.00000
      7      10.5496      0.00000
      8      13.8672      0.00000
      9      14.0741      0.00000
     10      14.8040      0.00000
     11      17.5246      0.00000
     12      20.0429      0.00000
     13      21.0583      0.00000
     14      21.5809      0.00000
     15      22.8504      0.00000
     16      25.2216      0.00000

 k-point   276 :       0.6364    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.9454      2.00000
      2      -0.6588      2.00000
      3       1.7781      2.00000
      4       4.0592      2.00000
      5       7.7936      0.00000
      6      11.8229      0.00000
      7      11.9359      0.00000
      8      12.8732      0.00000
      9      13.9219      0.00000
     10      14.1576      0.00000
     11      19.1814      0.00000
     12      21.3928      0.00000
     13      21.7252      0.00000
     14      22.3414      0.00000
     15      22.8851      0.00000
     16      24.0521      0.00000

 k-point   277 :       0.7273    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.3529      2.00000
      2      -1.1146      2.00000
      3       1.5855      2.00000
      4       3.6675      2.00000
      5       7.3266      0.00000
      6      10.6749      0.00000
      7      13.3290      0.00000
      8      13.8723      0.00000
      9      14.2844      0.00000
     10      14.3721      0.00000
     11      21.0781      0.00000
     12      21.3118      0.00000
     13      21.7210      0.00000
     14      21.9581      0.00000
     15      22.1572      0.00000
     16      23.8139      0.00000

 k-point   278 :       0.8182    0.3636    0.3636
  band No.  band energies     occupation 
      1      -2.4544      2.00000
      2      -1.0442      2.00000
      3       2.0781      2.00000
      4       3.4201      2.00000
      5       7.0428      0.00000
      6       8.9386      0.00000
      7      14.0428      0.00000
      8      14.3584      0.00000
      9      15.7986      0.00000
     10      15.9731      0.00000
     11      19.4111      0.00000
     12      20.0582      0.00000
     13      21.6223      0.00000
     14      21.7448      0.00000
     15      22.3808      0.00000
     16      24.2457      0.00000

 k-point   279 :      -0.0909    0.3636    0.3636
  band No.  band energies     occupation 
      1      -3.1328      2.00000
      2      -0.3253      2.00000
      3       2.8785      2.00000
      4       3.3445      2.00000
      5       6.8749      0.00000
      6       7.7240      0.00000
      7      14.3256      0.00000
      8      14.4652      0.00000
      9      17.5418      0.00000
     10      17.7080      0.00000
     11      17.8970      0.00000
     12      18.3320      0.00000
     13      20.9491      0.00000
     14      21.3893      0.00000
     15      22.0599      0.00000
     16      24.0574      0.00000

 k-point   280 :       0.4545    0.4545    0.3636
  band No.  band energies     occupation 
      1      -3.8290      2.00000
      2      -0.5187      2.00000
      3       4.2327      2.00000
      4       4.5489      2.00000
      5       8.1812      0.00000
      6       9.3756      0.00000
      7       9.8580      0.00000
      8      13.6477      0.00000
      9      14.8851      0.00000
     10      16.4333      0.00000
     11      17.3204      0.00000
     12      17.9498      0.00000
     13      18.8982      0.00000
     14      21.5364      0.00000
     15      23.9077      0.00000
     16      25.3646      0.00000

 k-point   281 :      -0.4545   -0.5455   -0.6364
  band No.  band energies     occupation 
      1      -3.4539      2.00000
      2      -0.7103      2.00000
      3       3.2208      2.00000
      4       4.3026      2.00000
      5       8.7048      0.00000
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      7      10.8082      0.00000
      8      13.5280      0.00000
      9      14.8618      0.00000
     10      15.9632      0.00000
     11      17.3609      0.00000
     12      18.7312      0.00000
     13      19.7771      0.00000
     14      21.9535      0.00000
     15      24.1514      0.00000
     16      25.9460      0.00000

 k-point   282 :       0.6364    0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.9695      2.00000
      2      -0.7972      2.00000
      3       2.2136      2.00000
      4       3.7928      2.00000
      5       8.5165      0.00000
      6      10.0006      0.00000
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      8      12.8999      0.00000
      9      13.5901      0.00000
     10      16.1750      0.00000
     11      18.3025      0.00000
     12      19.2688      0.00000
     13      22.2814      0.00000
     14      22.3461      0.00000
     15      23.7536      0.00000
     16      24.6385      0.00000

 k-point   283 :       0.7273    0.4545    0.3636
  band No.  band energies     occupation 
      1      -2.4173      2.00000
      2      -1.0462      2.00000
      3       1.7540      2.00000
      4       3.3015      2.00000
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      9      14.2374      0.00000
     10      16.3282      0.00000
     11      19.2922      0.00000
     12      20.4702      0.00000
     13      22.0421      0.00000
     14      22.5188      0.00000
     15      23.5924      0.00000
     16      24.4631      0.00000

 k-point   284 :       0.8182    0.4545    0.3636
  band No.  band energies     occupation 
      1      -1.9277      2.00000
      2      -1.5375      2.00000
      3       2.0770      2.00000
      4       2.9631      2.00000
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      9      15.9298      0.00000
     10      16.5635      0.00000
     11      19.2664      0.00000
     12      20.0664      0.00000
     13      21.7861      0.00000
     14      22.5986      0.00000
     15      22.9648      0.00000
     16      23.3970      0.00000

 k-point   285 :      -0.0909   -0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.4757      2.00000
      2      -1.0499      2.00000
      3       2.7706      2.00000
      4       2.8699      2.00000
      5       7.3795      0.00000
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      7      14.2442      0.00000
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      9      16.0138      0.00000
     10      17.5969      0.00000
     11      18.3068      0.00000
     12      19.8403      0.00000
     13      19.9433      0.00000
     14      21.8779      0.00000
     15      22.9712      0.00000
     16      24.3616      0.00000

 k-point   286 :      -0.5455   -0.4545   -0.6364
  band No.  band energies     occupation 
      1      -3.4540      2.00000
      2      -0.7102      2.00000
      3       3.2214      2.00000
      4       4.3021      2.00000
      5       8.7037      0.00000
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      8      13.5277      0.00000
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     10      15.9636      0.00000
     11      17.3621      0.00000
     12      18.7330      0.00000
     13      19.7754      0.00000
     14      21.9537      0.00000
     15      24.1538      0.00000
     16      25.9459      0.00000

 k-point   287 :      -0.4545   -0.4545   -0.6364
  band No.  band energies     occupation 
      1      -3.2398      2.00000
      2      -0.8399      2.00000
      3       2.8912      2.00000
      4       4.2035      2.00000
      5       8.0263      0.00000
      6      10.4210      0.00000
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      8      13.2495      0.00000
      9      15.2180      0.00000
     10      15.6180      0.00000
     11      17.7038      0.00000
     12      18.9569      0.00000
     13      19.8174      0.00000
     14      22.3485      0.00000
     15      25.1556      0.00000
     16      25.4398      0.00000

 k-point   288 :      -0.3636   -0.4545   -0.6364
  band No.  band energies     occupation 
      1      -2.9531      2.00000
      2      -0.8055      2.00000
      3       2.2228      2.00000
      4       3.7629      2.00000
      5       8.4669      0.00000
      6      10.0574      0.00000
      7      12.3500      0.00000
      8      13.0373      0.00000
      9      13.4629      0.00000
     10      16.1219      0.00000
     11      18.3741      0.00000
     12      19.3007      0.00000
     13      21.9697      0.00000
     14      22.6851      0.00000
     15      23.6746      0.00000
     16      24.7166      0.00000

 k-point   289 :       0.7273    0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.6067      2.00000
      2      -0.8279      2.00000
      3       1.8851      2.00000
      4       3.0453      2.00000
      5       9.4707      0.00000
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      8      13.2985      0.00000
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     10      16.7925      0.00000
     11      18.8013      0.00000
     12      20.2445      0.00000
     13      21.8071      0.00000
     14      22.9384      0.00000
     15      23.2787      0.00000
     16      24.9065      0.00000

 k-point   290 :       0.8182    0.5455    0.3636
  band No.  band energies     occupation 
      1      -2.1940      2.00000
      2      -1.1829      2.00000
      3       2.1177      2.00000
      4       2.5275      2.00000
      5       9.0539      0.00000
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     10      17.2906      0.00000
     11      18.6752      0.00000
     12      20.0844      0.00000
     13      21.8400      0.00000
     14      22.9283      0.00000
     15      23.2086      0.00000
     16      24.4307      0.00000

 k-point   291 :       0.4545    0.6364    0.3636
  band No.  band energies     occupation 
      1      -2.9694      2.00000
      2      -0.7969      2.00000
      3       2.2142      2.00000
      4       3.7923      2.00000
      5       8.5150      0.00000
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      8      12.8983      0.00000
      9      13.5894      0.00000
     10      16.1763      0.00000
     11      18.3044      0.00000
     12      19.2709      0.00000
     13      22.2816      0.00000
     14      22.3442      0.00000
     15      23.7564      0.00000
     16      24.6402      0.00000

 k-point   292 :      -0.4545   -0.3636   -0.6364
  band No.  band energies     occupation 
      1      -2.9530      2.00000
      2      -0.8054      2.00000
      3       2.2229      2.00000
      4       3.7631      2.00000
      5       8.4662      0.00000
      6      10.0556      0.00000
      7      12.3517      0.00000
      8      13.0362      0.00000
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     10      16.1240      0.00000
     11      18.3749      0.00000
     12      19.3026      0.00000
     13      21.9677      0.00000
     14      22.6852      0.00000
     15      23.6753      0.00000
     16      24.7188      0.00000

 k-point   293 :      -0.3636   -0.3636   -0.6364
  band No.  band energies     occupation 
      1      -2.8995      2.00000
      2      -0.6847      2.00000
      3       1.7823      2.00000
      4       4.0090      2.00000
      5       7.7388      0.00000
      6      11.8571      0.00000
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     10      13.9772      0.00000
     11      19.3190      0.00000
     12      21.3824      0.00000
     13      21.5536      0.00000
     14      22.3262      0.00000
     15      23.1397      0.00000
     16      24.1539      0.00000

 k-point   294 :      -0.2727   -0.3636   -0.6364
  band No.  band energies     occupation 
      1      -2.7860      2.00000
      2      -0.6487      2.00000
      3       1.6519      2.00000
      4       3.5930      2.00000
      5       8.3229      0.00000
      6      11.1477      0.00000
      7      11.8798      0.00000
      8      12.9897      0.00000
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     10      14.8595      0.00000
     11      20.4315      0.00000
     12      20.8526      0.00000
     13      20.9357      0.00000
     14      22.9383      0.00000
     15      23.1365      0.00000
     16      23.9788      0.00000

 k-point   295 :       0.4545    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.4171      2.00000
      2      -1.0458      2.00000
      3       1.7542      2.00000
      4       3.3010      2.00000
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     10      16.3296      0.00000
     11      19.2945      0.00000
     12      20.4722      0.00000
     13      22.0436      0.00000
     14      22.5191      0.00000
     15      23.5945      0.00000
     16      24.4626      0.00000

 k-point   296 :       0.5455    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.6065      2.00000
      2      -0.8277      2.00000
      3       1.8851      2.00000
      4       3.0454      2.00000
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     10      16.7947      0.00000
     11      18.8029      0.00000
     12      20.2460      0.00000
     13      21.8085      0.00000
     14      22.9384      0.00000
     15      23.2799      0.00000
     16      24.9047      0.00000

 k-point   297 :      -0.3636   -0.2727   -0.6364
  band No.  band energies     occupation 
      1      -2.7858      2.00000
      2      -0.6486      2.00000
      3       1.6518      2.00000
      4       3.5934      2.00000
      5       8.3221      0.00000
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     10      14.8617      0.00000
     11      20.4317      0.00000
     12      20.8547      0.00000
     13      20.9366      0.00000
     14      22.9399      0.00000
     15      23.1362      0.00000
     16      23.9766      0.00000

 k-point   298 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.9273      2.00000
      2      -1.5369      2.00000
      3       2.0767      2.00000
      4       2.9626      2.00000
      5       7.6597      0.00000
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     10      16.5649      0.00000
     11      19.2684      0.00000
     12      20.0679      0.00000
     13      21.7857      0.00000
     14      22.5980      0.00000
     15      22.9667      0.00000
     16      23.3989      0.00000

 k-point   299 :       0.5455    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.1936      2.00000
      2      -1.1825      2.00000
      3       2.1175      2.00000
      4       2.5274      2.00000
      5       9.0523      0.00000
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     10      17.2926      0.00000
     11      18.6768      0.00000
     12      20.0862      0.00000
     13      21.8414      0.00000
     14      22.9277      0.00000
     15      23.2103      0.00000
     16      24.4310      0.00000

 k-point   300 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4752      2.00000
      2      -1.0492      2.00000
      3       2.7699      2.00000
      4       2.8693      2.00000
      5       7.3783      0.00000
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      9      16.0147      0.00000
     10      17.5987      0.00000
     11      18.3077      0.00000
     12      19.8420      0.00000
     13      19.9426      0.00000
     14      21.8771      0.00000
     15      22.9728      0.00000
     16      24.3638      0.00000

 k-point   301 :      -0.0000   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.7372      2.00000
      2      -0.8530      2.00000
      3       4.8194      2.00000
      4       4.8257      2.00000
      5       7.6279      0.00000
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     10      16.1557      0.00000
     11      17.2515      0.00000
     12      18.1628      0.00000
     13      18.3444      0.00000
     14      19.8531      0.00000
     15      24.7498      0.00000
     16      26.9211      0.00000

 k-point   302 :       0.0909   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.8223      2.00000
      2      -0.5344      2.00000
      3       4.2530      2.00000
      4       4.5631      2.00000
      5       8.1974      0.00000
      6       9.2701      0.00000
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     10      16.5200      0.00000
     11      17.4921      0.00000
     12      18.0906      0.00000
     13      19.0291      0.00000
     14      21.2339      0.00000
     15      23.9075      0.00000
     16      25.3689      0.00000

 k-point   303 :       0.1818    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.7570      2.00000
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      3       3.2566      2.00000
      4       4.1010      2.00000
      5       7.9525      0.00000
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     10      16.9909      0.00000
     11      17.8812      0.00000
     12      18.0814      0.00000
     13      19.1708      0.00000
     14      22.5258      0.00000
     15      24.0721      0.00000
     16      24.2558      0.00000

 k-point   304 :       0.2727    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.5201      2.00000
      2       0.0757      2.00000
      3       2.6867      2.00000
      4       3.6573      2.00000
      5       7.3531      0.00000
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     10      17.4326      0.00000
     11      17.9946      0.00000
     12      18.3403      0.00000
     13      19.9026      0.00000
     14      21.9695      0.00000
     15      23.0118      0.00000
     16      24.6273      0.00000

 k-point   305 :       0.3636    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.1050      2.00000
      2      -0.3617      2.00000
      3       2.9092      2.00000
      4       3.3377      2.00000
      5       6.8691      0.00000
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     10      17.8995      0.00000
     11      18.0723      0.00000
     12      18.4552      0.00000
     13      20.8200      0.00000
     14      21.2366      0.00000
     15      21.8652      0.00000
     16      24.1102      0.00000

 k-point   306 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5225      2.00000
      2      -1.0887      2.00000
      3       3.1837      2.00000
      4       3.1839      2.00000
      5       6.6138      0.00000
      6       6.9376      0.00000
      7      15.7345      0.00000
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     10      17.7420      0.00000
     11      17.8570      0.00000
     12      18.6630      0.00000
     13      19.6089      0.00000
     14      19.9783      0.00000
     15      24.0127      0.00000
     16      24.9497      0.00000

 k-point   307 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.8617      2.00000
      2      -1.7457      2.00000
      3       2.7234      2.00000
      4       3.2098      2.00000
      5       6.7944      0.00000
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      7      15.6521      0.00000
      8      15.9918      0.00000
      9      16.3406      0.00000
     10      16.4705      0.00000
     11      19.2927      0.00000
     12      19.4289      0.00000
     13      19.8075      0.00000
     14      20.3290      0.00000
     15      24.0807      0.00000
     16      24.5220      0.00000

 k-point   308 :      -0.3636   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.3952      2.00000
      2      -1.1100      2.00000
      3       2.0966      2.00000
      4       3.4131      2.00000
      5       7.0361      0.00000
      6       8.9113      0.00000
      7      13.9361      0.00000
      8      14.1638      0.00000
      9      15.9591      0.00000
     10      16.1598      0.00000
     11      19.5275      0.00000
     12      20.2018      0.00000
     13      21.3778      0.00000
     14      21.5351      0.00000
     15      22.3024      0.00000
     16      24.5618      0.00000

 k-point   309 :      -0.2727   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.8700      2.00000
      2      -0.7630      2.00000
      3       2.0851      2.00000
      4       3.7735      2.00000
      5       7.4883      0.00000
      6      10.8012      0.00000
      7      12.1653      0.00000
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      9      15.7088      0.00000
     10      15.9153      0.00000
     11      19.2314      0.00000
     12      19.4117      0.00000
     13      20.2511      0.00000
     14      23.8186      0.00000
     15      24.0089      0.00000
     16      24.4676      0.00000

 k-point   310 :      -0.1818    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.2435      2.00000
      2      -0.8524      2.00000
      3       2.8978      2.00000
      4       4.2363      2.00000
      5       8.0579      0.00000
      6      10.3723      0.00000
      7      10.7623      0.00000
      8      13.0003      0.00000
      9      15.2891      0.00000
     10      15.7580      0.00000
     11      17.7185      0.00000
     12      19.0356      0.00000
     13      19.9837      0.00000
     14      21.9921      0.00000
     15      25.2135      0.00000
     16      25.4550      0.00000

 k-point   311 :      -0.0909    0.0000    0.4545
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9551      2.00000
      3       4.0589      2.00000
      4       4.6679      2.00000
      5       8.1782      0.00000
      6       9.3258      0.00000
      7       9.7416      0.00000
      8      14.1504      0.00000
      9      15.4618      0.00000
     10      15.8631      0.00000
     11      17.2679      0.00000
     12      18.5984      0.00000
     13      18.9435      0.00000
     14      20.1102      0.00000
     15      25.3612      0.00000
     16      26.5463      0.00000

 k-point   312 :       0.0000    0.0909    0.4545
  band No.  band energies     occupation 
      1      -3.8224      2.00000
      2      -0.5343      2.00000
      3       4.2522      2.00000
      4       4.5639      2.00000
      5       8.1981      0.00000
      6       9.2689      0.00000
      7       9.9352      0.00000
      8      13.4377      0.00000
      9      14.8427      0.00000
     10      16.5189      0.00000
     11      17.4909      0.00000
     12      18.0899      0.00000
     13      19.0288      0.00000
     14      21.2358      0.00000
     15      23.9077      0.00000
     16      25.3707      0.00000

 k-point   313 :       0.0909    0.0909    0.4545
  band No.  band energies     occupation 
      1      -4.0441      2.00000
      2      -0.1750      2.00000
      3       4.0373      2.00000
      4       4.9029      2.00000
      5       8.2585      0.00000
      6       9.5740      0.00000
      7       9.6023      0.00000
      8      13.8414      0.00000
      9      14.0356      0.00000
     10      15.3356      0.00000
     11      17.7198      0.00000
     12      18.3521      0.00000
     13      20.5757      0.00000
     14      20.9866      0.00000
     15      23.0918      0.00000
     16      24.5246      0.00000

 k-point   314 :       0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1      -4.0916      2.00000
      2       0.2908      2.00000
      3       3.3554      2.00000
      4       4.5287      2.00000
      5       8.7185      0.00000
      6       9.3841      0.00000
      7      10.8672      0.00000
      8      11.7688      0.00000
      9      14.6908      0.00000
     10      16.0347      0.00000
     11      18.1234      0.00000
     12      18.3315      0.00000
     13      20.5295      0.00000
     14      21.6165      0.00000
     15      23.1846      0.00000
     16      24.1433      0.00000

 k-point   315 :       0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1      -3.9507      2.00000
      2       0.5995      2.00000
      3       2.8729      2.00000
      4       3.8729      2.00000
      5       8.1478      0.00000
      6       9.7247      0.00000
      7      10.7164      0.00000
      8      12.5307      0.00000
      9      15.4305      0.00000
     10      17.0757      0.00000
     11      18.3795      0.00000
     12      18.7458      0.00000
     13      20.4435      0.00000
     14      21.0569      0.00000
     15      22.7565      0.00000
     16      24.5088      0.00000

 k-point   316 :       0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -3.6185      2.00000
      2       0.3150      2.00000
      3       2.9700      2.00000
      4       3.3833      2.00000
      5       7.4315      0.00000
      6       8.2607      0.00000
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      8      13.9351      0.00000
      9      16.2668      0.00000
     10      17.6855      0.00000
     11      18.3419      0.00000
     12      19.4488      0.00000
     13      20.4003      0.00000
     14      20.9633      0.00000
     15      22.5221      0.00000
     16      23.0469      0.00000

 k-point   317 :      -0.4545    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4455      2.00000
      2      -1.0835      2.00000
      3       2.7635      2.00000
      4       2.8885      2.00000
      5       7.3755      0.00000
      6       7.6422      0.00000
      7      14.0845      0.00000
      8      15.5891      0.00000
      9      16.0369      0.00000
     10      17.5850      0.00000
     11      18.3082      0.00000
     12      19.8630      0.00000
     13      20.1220      0.00000
     14      21.6966      0.00000
     15      22.8155      0.00000
     16      24.3329      0.00000

 k-point   318 :      -0.3636    0.0909    0.4545
  band No.  band energies     occupation 
      1      -1.9225      2.00000
      2      -1.5420      2.00000
      3       2.0772      2.00000
      4       2.9628      2.00000
      5       7.6594      0.00000
      6       8.9365      0.00000
      7      13.6190      0.00000
      8      13.8528      0.00000
      9      15.9012      0.00000
     10      16.5901      0.00000
     11      19.2451      0.00000
     12      20.1043      0.00000
     13      21.8406      0.00000
     14      22.5491      0.00000
     15      22.9277      0.00000
     16      23.4091      0.00000

 k-point   319 :      -0.2727    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.4307      2.00000
      2      -1.0367      2.00000
      3       1.7707      2.00000
      4       3.2835      2.00000
      5       8.0201      0.00000
      6      10.7230      0.00000
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      8      13.4614      0.00000
      9      14.1422      0.00000
     10      16.4945      0.00000
     11      19.5577      0.00000
     12      20.3667      0.00000
     13      21.7588      0.00000
     14      22.3649      0.00000
     15      23.6700      0.00000
     16      24.6332      0.00000

 k-point   320 :      -0.1818    0.0909    0.4545
  band No.  band energies     occupation 
      1      -2.9761      2.00000
      2      -0.8034      2.00000
      3       2.2482      2.00000
      4       3.7649      2.00000
      5       8.5399      0.00000
      6      10.1100      0.00000
      7      12.3028      0.00000
      8      12.8718      0.00000
      9      13.4048      0.00000
     10      16.3457      0.00000
     11      18.3724      0.00000
     12      19.4719      0.00000
     13      21.9353      0.00000
     14      22.3160      0.00000
     15      23.6958      0.00000
     16      24.5953      0.00000

 k-point   321 :      -0.0909    0.0909   -0.5455
  band No.  band energies     occupation 
      1      -3.4534      2.00000
      2      -0.7240      2.00000
      3       3.2573      2.00000
      4       4.2838      2.00000
      5       8.7929      0.00000
      6       9.1496      0.00000
      7      10.7815      0.00000
      8      13.2978      0.00000
      9      14.8473      0.00000
     10      16.0721      0.00000
     11      17.4937      0.00000
     12      18.9802      0.00000
     13      19.7666      0.00000
     14      21.6219      0.00000
     15      24.1674      0.00000
     16      25.9745      0.00000

 k-point   322 :      -0.0000    0.1818    0.4545
  band No.  band energies     occupation 
      1      -3.7572      2.00000
      2      -0.1098      2.00000
      3       3.2559      2.00000
      4       4.1018      2.00000
      5       7.9532      0.00000
      6      10.5010      0.00000
      7      11.0665      0.00000
      8      11.3326      0.00000
      9      16.0385      0.00000
     10      16.9899      0.00000
     11      17.8796      0.00000
     12      18.0814      0.00000
     13      19.1704      0.00000
     14      22.5259      0.00000
     15      24.0731      0.00000
     16      24.2576      0.00000

 k-point   323 :       0.0909    0.1818    0.4545
  band No.  band energies     occupation 
      1      -4.0917      2.00000
      2       0.2908      2.00000
      3       3.3552      2.00000
      4       4.5287      2.00000
      5       8.7198      0.00000
      6       9.3841      0.00000
      7      10.8665      0.00000
      8      11.7701      0.00000
      9      14.6896      0.00000
     10      16.0344      0.00000
     11      18.1233      0.00000
     12      18.3317      0.00000
     13      20.5279      0.00000
     14      21.6162      0.00000
     15      23.1849      0.00000
     16      24.1447      0.00000

 k-point   324 :       0.1818    0.1818    0.4545
  band No.  band energies     occupation 
      1      -4.2408      2.00000
      2       0.7316      2.00000
      3       2.8400      2.00000
      4       4.9094      2.00000
      5       8.6946      0.00000
      6      10.2398      0.00000
      7      10.4276      0.00000
      8      12.4265      0.00000
      9      12.5100      0.00000
     10      16.4500      0.00000
     11      18.3216      0.00000
     12      18.4387      0.00000
     13      20.2348      0.00000
     14      22.3792      0.00000
     15      22.9527      0.00000
     16      23.9556      0.00000

 k-point   325 :       0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -4.1940      2.00000
      2       0.9188      2.00000
      3       2.6213      2.00000
      4       4.5145      2.00000
      5       9.3289      0.00000
      6       9.4270      0.00000
      7      10.6629      0.00000
      8      11.8140      0.00000
      9      13.5931      0.00000
     10      16.8872      0.00000
     11      18.4975      0.00000
     12      18.6674      0.00000
     13      19.8340      0.00000
     14      22.2589      0.00000
     15      22.4966      0.00000
     16      25.1091      0.00000

 k-point   326 :      -0.4545   -0.8182   -0.5455
  band No.  band energies     occupation 
      1      -2.9284      2.00000
      2      -0.5112      2.00000
      3       2.3204      2.00000
      4       3.1551      2.00000
      5       7.8084      0.00000
      6       9.1226      0.00000
      7      12.1640      0.00000
      8      14.2296      0.00000
      9      15.4904      0.00000
     10      17.5520      0.00000
     11      18.4768      0.00000
     12      20.1130      0.00000
     13      20.6209      0.00000
     14      21.4053      0.00000
     15      23.3606      0.00000
     16      24.0431      0.00000

 k-point   327 :      -0.3636    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.2504      2.00000
      2      -1.1244      2.00000
      3       2.1248      2.00000
      4       2.5161      2.00000
      5       9.0566      0.00000
      6       9.2572      0.00000
      7      11.7456      0.00000
      8      13.3585      0.00000
      9      15.8282      0.00000
     10      17.3274      0.00000
     11      18.6995      0.00000
     12      20.0752      0.00000
     13      21.8515      0.00000
     14      22.7090      0.00000
     15      23.2454      0.00000
     16      24.5268      0.00000

 k-point   328 :      -0.2727    0.1818    0.4545
  band No.  band energies     occupation 
      1      -2.0420      2.00000
      2      -1.2943      2.00000
      3       1.8336      2.00000
      4       2.5542      2.00000
      5       9.4046      0.00000
      6      10.6810      0.00000
      7      11.5117      0.00000
      8      11.5454      0.00000
      9      15.8491      0.00000
     10      16.9752      0.00000
     11      19.0135      0.00000
     12      20.2512      0.00000
     13      21.8876      0.00000
     14      22.9500      0.00000
     15      24.4878      0.00000
     16      24.5717      0.00000

 k-point   329 :      -0.1818    0.1818   -0.5455
  band No.  band energies     occupation 
      1      -2.6484      2.00000
      2      -0.7978      2.00000
      3       1.9121      2.00000
      4       3.0279      2.00000
      5       9.5044      0.00000
      6       9.9230      0.00000
      7      11.1815      0.00000
      8      13.0966      0.00000
      9      14.2039      0.00000
     10      17.0181      0.00000
     11      18.9820      0.00000
     12      20.0920      0.00000
     13      21.6936      0.00000
     14      22.6970      0.00000
     15      23.2759      0.00000
     16      24.9100      0.00000

 k-point   330 :      -0.0909    0.1818   -0.5455
  band No.  band energies     occupation 
      1      -3.2608      2.00000
      2      -0.4354      2.00000
      3       2.4937      2.00000
      4       3.6673      2.00000
      5       8.3284      0.00000
      6      10.3582      0.00000
      7      11.1770      0.00000
      8      12.4305      0.00000
      9      15.1882      0.00000
     10      16.9902      0.00000
     11      18.0630      0.00000
     12      19.3123      0.00000
     13      20.0697      0.00000
     14      22.7884      0.00000
     15      24.0082      0.00000
     16      24.9137      0.00000

 k-point   331 :      -0.0000    0.2727    0.4545
  band No.  band energies     occupation 
      1      -3.5205      2.00000
      2       0.0753      2.00000
      3       2.6866      2.00000
      4       3.6582      2.00000
      5       7.3539      0.00000
      6       9.2914      0.00000
      7      12.3689      0.00000
      8      12.5833      0.00000
      9      17.2874      0.00000
     10      17.4322      0.00000
     11      17.9944      0.00000
     12      18.3398      0.00000
     13      19.9020      0.00000
     14      21.9688      0.00000
     15      23.0120      0.00000
     16      24.6274      0.00000

 k-point   332 :       0.0909    0.2727    0.4545
  band No.  band energies     occupation 
      1      -3.9509      2.00000
      2       0.5993      2.00000
      3       2.8730      2.00000
      4       3.8730      2.00000
      5       8.1489      0.00000
      6       9.7256      0.00000
      7      10.7175      0.00000
      8      12.5295      0.00000
      9      15.4292      0.00000
     10      17.0758      0.00000
     11      18.3798      0.00000
     12      18.7457      0.00000
     13      20.4421      0.00000
     14      21.0557      0.00000
     15      22.7559      0.00000
     16      24.5080      0.00000

 k-point   333 :       0.1818    0.2727    0.4545
  band No.  band energies     occupation 
      1      -4.1942      2.00000
      2       0.9187      2.00000
      3       2.6214      2.00000
      4       4.5142      2.00000
      5       9.3297      0.00000
      6       9.4285      0.00000
      7      10.6638      0.00000
      8      11.8125      0.00000
      9      13.5920      0.00000
     10      16.8873      0.00000
     11      18.4976      0.00000
     12      18.6673      0.00000
     13      19.8337      0.00000
     14      22.2584      0.00000
     15      22.4948      0.00000
     16      25.1104      0.00000

 k-point   334 :      -0.4545   -0.7273   -0.5455
  band No.  band energies     occupation 
      1      -3.2606      2.00000
      2      -0.4354      2.00000
      3       2.4938      2.00000
      4       3.6670      2.00000
      5       8.3277      0.00000
      6      10.3590      0.00000
      7      11.1759      0.00000
      8      12.4300      0.00000
      9      15.1897      0.00000
     10      16.9907      0.00000
     11      18.0624      0.00000
     12      19.3121      0.00000
     13      20.0716      0.00000
     14      22.7871      0.00000
     15      24.0068      0.00000
     16      24.9130      0.00000

 k-point   335 :      -0.3636   -0.7273   -0.5455
  band No.  band energies     occupation 
      1      -2.6482      2.00000
      2      -0.7979      2.00000
      3       1.9117      2.00000
      4       3.0282      2.00000
      5       9.5037      0.00000
      6       9.9234      0.00000
      7      11.1805      0.00000
      8      13.0980      0.00000
      9      14.2038      0.00000
     10      17.0187      0.00000
     11      18.9809      0.00000
     12      20.0918      0.00000
     13      21.6928      0.00000
     14      22.6986      0.00000
     15      23.2757      0.00000
     16      24.9080      0.00000

 k-point   336 :       0.7273    0.2727    0.4545
  band No.  band energies     occupation 
      1      -2.0420      2.00000
      2      -1.2946      2.00000
      3       1.8335      2.00000
      4       2.5547      2.00000
      5       9.4055      0.00000
      6      10.6814      0.00000
      7      11.5106      0.00000
      8      11.5451      0.00000
      9      15.8493      0.00000
     10      16.9759      0.00000
     11      19.0134      0.00000
     12      20.2512      0.00000
     13      21.8864      0.00000
     14      22.9504      0.00000
     15      24.4866      0.00000
     16      24.5710      0.00000

 k-point   337 :      -0.1818    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.2508      2.00000
      2      -1.1247      2.00000
      3       2.1253      2.00000
      4       2.5162      2.00000
      5       9.0577      0.00000
      6       9.2581      0.00000
      7      11.7446      0.00000
      8      13.3572      0.00000
      9      15.8287      0.00000
     10      17.3275      0.00000
     11      18.7006      0.00000
     12      20.0761      0.00000
     13      21.8513      0.00000
     14      22.7072      0.00000
     15      23.2438      0.00000
     16      24.5260      0.00000

 k-point   338 :      -0.0909    0.2727   -0.5455
  band No.  band energies     occupation 
      1      -2.9289      2.00000
      2      -0.5116      2.00000
      3       2.3207      2.00000
      4       3.1556      2.00000
      5       7.8093      0.00000
      6       9.1237      0.00000
      7      12.1630      0.00000
      8      14.2305      0.00000
      9      15.4889      0.00000
     10      17.5522      0.00000
     11      18.4780      0.00000
     12      20.1116      0.00000
     13      20.6202      0.00000
     14      21.4062      0.00000
     15      23.3591      0.00000
     16      24.0431      0.00000

 k-point   339 :      -0.0000    0.3636    0.4545
  band No.  band energies     occupation 
      1      -3.1055      2.00000
      2      -0.3624      2.00000
      3       2.9098      2.00000
      4       3.3386      2.00000
      5       6.8701      0.00000
      6       7.6863      0.00000
      7      14.2241      0.00000
      8      14.3273      0.00000
      9      17.6003      0.00000
     10      17.8985      0.00000
     11      18.0728      0.00000
     12      18.4550      0.00000
     13      20.8195      0.00000
     14      21.2361      0.00000
     15      21.8644      0.00000
     16      24.1110      0.00000

 k-point   340 :       0.0909    0.3636    0.4545
  band No.  band energies     occupation 
      1      -3.6189      2.00000
      2       0.3144      2.00000
      3       2.9705      2.00000
      4       3.3838      2.00000
      5       7.4327      0.00000
      6       8.2615      0.00000
      7      12.4174      0.00000
      8      13.9338      0.00000
      9      16.2657      0.00000
     10      17.6861      0.00000
     11      18.3426      0.00000
     12      19.4476      0.00000
     13      20.3988      0.00000
     14      20.9620      0.00000
     15      22.5218      0.00000
     16      23.0460      0.00000

 k-point   341 :      -0.4545   -0.6364   -0.5455
  band No.  band energies     occupation 
      1      -3.4533      2.00000
      2      -0.7241      2.00000
      3       3.2571      2.00000
      4       4.2840      2.00000
      5       8.7925      0.00000
      6       9.1501      0.00000
      7      10.7814      0.00000
      8      13.2965      0.00000
      9      14.8482      0.00000
     10      16.0728      0.00000
     11      17.4937      0.00000
     12      18.9802      0.00000
     13      19.7682      0.00000
     14      21.6198      0.00000
     15      24.1655      0.00000
     16      25.9743      0.00000

 k-point   342 :       0.6364    0.3636    0.4545
  band No.  band energies     occupation 
      1      -2.9761      2.00000
      2      -0.8035      2.00000
      3       2.2477      2.00000
      4       3.7656      2.00000
      5       8.5407      0.00000
      6      10.1091      0.00000
      7      12.3033      0.00000
      8      12.8728      0.00000
      9      13.4038      0.00000
     10      16.3464      0.00000
     11      18.3715      0.00000
     12      19.4715      0.00000
     13      21.9331      0.00000
     14      22.3180      0.00000
     15      23.6940      0.00000
     16      24.5954      0.00000

 k-point   343 :       0.7273    0.3636    0.4545
  band No.  band energies     occupation 
      1      -2.4309      2.00000
      2      -1.0370      2.00000
      3       1.7705      2.00000
      4       3.2843      2.00000
      5       8.0209      0.00000
      6      10.7242      0.00000
      7      11.8702      0.00000
      8      13.4603      0.00000
      9      14.1427      0.00000
     10      16.4955      0.00000
     11      19.5574      0.00000
     12      20.3657      0.00000
     13      21.7586      0.00000
     14      22.3632      0.00000
     15      23.6687      0.00000
     16      24.6314      0.00000

 k-point   344 :       0.8182    0.3636    0.4545
  band No.  band energies     occupation 
      1      -1.9229      2.00000
      2      -1.5426      2.00000
      3       2.0775      2.00000
      4       2.9636      2.00000
      5       7.6603      0.00000
      6       8.9376      0.00000
      7      13.6178      0.00000
      8      13.8516      0.00000
      9      15.9019      0.00000
     10      16.5913      0.00000
     11      19.2457      0.00000
     12      20.1053      0.00000
     13      21.8385      0.00000
     14      22.5473      0.00000
     15      22.9259      0.00000
     16      23.4080      0.00000

 k-point   345 :      -0.0909    0.3636   -0.5455
  band No.  band energies     occupation 
      1      -2.4461      2.00000
      2      -1.0842      2.00000
      3       2.7642      2.00000
      4       2.8891      2.00000
      5       7.3766      0.00000
      6       7.6431      0.00000
      7      14.0834      0.00000
      8      15.5893      0.00000
      9      16.0362      0.00000
     10      17.5858      0.00000
     11      18.3097      0.00000
     12      19.8642      0.00000
     13      20.1204      0.00000
     14      21.6946      0.00000
     15      22.8144      0.00000
     16      24.3321      0.00000

 k-point   346 :       0.0000    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.5231      2.00000
      2      -1.0894      2.00000
      3       3.1846      2.00000
      4       3.1847      2.00000
      5       6.6148      0.00000
      6       6.9384      0.00000
      7      15.7358      0.00000
      8      15.7429      0.00000
      9      17.7366      0.00000
     10      17.7406      0.00000
     11      17.8574      0.00000
     12      18.6625      0.00000
     13      19.6091      0.00000
     14      19.9777      0.00000
     15      24.0113      0.00000
     16      24.9466      0.00000

 k-point   347 :       0.5455    0.4545    0.4545
  band No.  band energies     occupation 
      1      -3.5342      2.00000
      2      -0.9551      2.00000
      3       4.0580      2.00000
      4       4.6688      2.00000
      5       8.1789      0.00000
      6       9.3248      0.00000
      7       9.7421      0.00000
      8      14.1503      0.00000
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     10      15.8627      0.00000
     11      17.2675      0.00000
     12      18.5969      0.00000
     13      18.9446      0.00000
     14      20.1103      0.00000
     15      25.3597      0.00000
     16      26.5460      0.00000

 k-point   348 :       0.6364    0.4545    0.4545
  band No.  band energies     occupation 
      1      -3.2435      2.00000
      2      -0.8525      2.00000
      3       2.8970      2.00000
      4       4.2372      2.00000
      5       8.0588      0.00000
      6      10.3716      0.00000
      7      10.7627      0.00000
      8      13.0018      0.00000
      9      15.2883      0.00000
     10      15.7578      0.00000
     11      17.7176      0.00000
     12      19.0341      0.00000
     13      19.9828      0.00000
     14      21.9942      0.00000
     15      25.2113      0.00000
     16      25.4543      0.00000

 k-point   349 :       0.7273    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.8703      2.00000
      2      -0.7632      2.00000
      3       2.0847      2.00000
      4       3.7744      2.00000
      5       7.4892      0.00000
      6      10.8026      0.00000
      7      12.1663      0.00000
      8      12.2824      0.00000
      9      15.7074      0.00000
     10      15.9161      0.00000
     11      19.2302      0.00000
     12      19.4104      0.00000
     13      20.2503      0.00000
     14      23.8188      0.00000
     15      24.0081      0.00000
     16      24.4676      0.00000

 k-point   350 :       0.8182    0.4545    0.4545
  band No.  band energies     occupation 
      1      -2.3957      2.00000
      2      -1.1106      2.00000
      3       2.0968      2.00000
      4       3.4140      2.00000
      5       7.0370      0.00000
      6       8.9126      0.00000
      7      13.9372      0.00000
      8      14.1627      0.00000
      9      15.9579      0.00000
     10      16.1607      0.00000
     11      19.5267      0.00000
     12      20.2015      0.00000
     13      21.3769      0.00000
     14      21.5343      0.00000
     15      22.3016      0.00000
     16      24.5595      0.00000

 k-point   351 :       0.9091    0.4545    0.4545
  band No.  band energies     occupation 
      1      -1.8623      2.00000
      2      -1.7464      2.00000
      3       2.7241      2.00000
      4       3.2107      2.00000
      5       6.7953      0.00000
      6       7.3975      0.00000
      7      15.6525      0.00000
      8      15.9917      0.00000
      9      16.3400      0.00000
     10      16.4706      0.00000
     11      19.2932      0.00000
     12      19.4286      0.00000
     13      19.8069      0.00000
     14      20.3286      0.00000
     15      24.0787      0.00000
     16      24.5202      0.00000

 k-point   352 :      -0.4545   -0.4545   -0.5455
  band No.  band energies     occupation 
      1      -3.5298      2.00000
      2      -0.9569      2.00000
      3       4.0616      2.00000
      4       4.6619      2.00000
      5       8.1560      0.00000
      6       9.4102      0.00000
      7       9.6538      0.00000
      8      14.1934      0.00000
      9      15.5915      0.00000
     10      15.7290      0.00000
     11      17.2131      0.00000
     12      18.5184      0.00000
     13      19.0344      0.00000
     14      20.1577      0.00000
     15      25.3462      0.00000
     16      26.5168      0.00000

 k-point   353 :       0.6364    0.5455    0.4545
  band No.  band energies     occupation 
      1      -3.4408      2.00000
      2      -0.7297      2.00000
      3       3.2376      2.00000
      4       4.3062      2.00000
      5       8.7117      0.00000
      6       9.1542      0.00000
      7      10.7950      0.00000
      8      13.2859      0.00000
      9      15.0518      0.00000
     10      15.9691      0.00000
     11      17.3833      0.00000
     12      18.7911      0.00000
     13      20.0623      0.00000
     14      21.6366      0.00000
     15      24.1164      0.00000
     16      25.9587      0.00000

 k-point   354 :       0.7273    0.5455    0.4545
  band No.  band energies     occupation 
      1      -3.2413      2.00000
      2      -0.4483      2.00000
      3       2.4639      2.00000
      4       3.7058      2.00000
      5       8.2853      0.00000
      6      10.2771      0.00000
      7      11.1561      0.00000
      8      12.4934      0.00000
      9      15.4234      0.00000
     10      16.7825      0.00000
     11      17.9263      0.00000
     12      19.2296      0.00000
     13      20.3814      0.00000
     14      22.7394      0.00000
     15      24.1370      0.00000
     16      24.9202      0.00000

 k-point   355 :       0.8182    0.5455    0.4545
  band No.  band energies     occupation 
      1      -2.9037      2.00000
      2      -0.5386      2.00000
      3       2.3012      2.00000
      4       3.1903      2.00000
      5       7.7789      0.00000
      6       9.1151      0.00000
      7      12.0340      0.00000
      8      14.3189      0.00000
      9      15.6984      0.00000
     10      17.3475      0.00000
     11      18.3038      0.00000
     12      20.3706      0.00000
     13      20.7328      0.00000
     14      21.4136      0.00000
     15      23.2748      0.00000
     16      23.9444      0.00000

 k-point   356 :       0.9091    0.5455    0.4545
  band No.  band energies     occupation 
      1      -2.4162      2.00000
      2      -1.1183      2.00000
      3       2.7590      2.00000
      4       2.9060      2.00000
      5       7.3748      0.00000
      6       7.6243      0.00000
      7      13.9310      0.00000
      8      15.6940      0.00000
      9      16.1146      0.00000
     10      17.5836      0.00000
     11      18.2962      0.00000
     12      19.8531      0.00000
     13      20.3033      0.00000
     14      21.5159      0.00000
     15      22.6994      0.00000
     16      24.2549      0.00000

 k-point   357 :       0.5455    0.6364    0.4545
  band No.  band energies     occupation 
      1      -3.4407      2.00000
      2      -0.7297      2.00000
      3       3.2380      2.00000
      4       4.3059      2.00000
      5       8.7102      0.00000
      6       9.1541      0.00000
      7      10.7960      0.00000
      8      13.2843      0.00000
      9      15.0517      0.00000
     10      15.9703      0.00000
     11      17.3844      0.00000
     12      18.7928      0.00000
     13      20.0624      0.00000
     14      21.6347      0.00000
     15      24.1168      0.00000
     16      25.9584      0.00000

 k-point   358 :      -0.3636   -0.3636   -0.5455
  band No.  band energies     occupation 
      1      -3.5326      2.00000
      2      -0.4256      2.00000
      3       2.7451      2.00000
      4       4.4999      2.00000
      5       8.2980      0.00000
      6      10.3891      0.00000
      7      10.4769      0.00000
      8      13.8273      0.00000
      9      13.8347      0.00000
     10      15.0549      0.00000
     11      17.6011      0.00000
     12      20.3668      0.00000
     13      20.9970      0.00000
     14      21.4165      0.00000
     15      22.7713      0.00000
     16      25.2642      0.00000

 k-point   359 :      -0.2727   -0.3636   -0.5455
  band No.  band energies     occupation 
      1      -3.4839      2.00000
      2      -0.0958      2.00000
      3       2.2231      2.00000
      4       4.0757      2.00000
      5       8.8536      0.00000
      6       9.8515      0.00000
      7      11.6043      0.00000
      8      12.2574      0.00000
      9      14.5514      0.00000
     10      15.1938      0.00000
     11      18.6092      0.00000
     12      20.6769      0.00000
     13      20.8572      0.00000
     14      21.3751      0.00000
     15      23.8638      0.00000
     16      24.2225      0.00000

 k-point   360 :       0.8182    0.6364    0.4545
  band No.  band energies     occupation 
      1      -3.2746      2.00000
      2      -0.1045      2.00000
      3       2.1858      2.00000
      4       3.3842      2.00000
      5       9.1186      0.00000
      6       9.7130      0.00000
      7      10.3315      0.00000
      8      13.7938      0.00000
      9      15.3769      0.00000
     10      15.6165      0.00000
     11      19.7515      0.00000
     12      20.4581      0.00000
     13      20.4627      0.00000
     14      20.9102      0.00000
     15      23.0595      0.00000
     16      24.4644      0.00000

 k-point   361 :       0.5455    0.7273    0.4545
  band No.  band energies     occupation 
      1      -3.2411      2.00000
      2      -0.4482      2.00000
      3       2.4643      2.00000
      4       3.7055      2.00000
      5       8.2840      0.00000
      6      10.2762      0.00000
      7      11.1545      0.00000
      8      12.4947      0.00000
      9      15.4229      0.00000
     10      16.7842      0.00000
     11      17.9276      0.00000
     12      19.2311      0.00000
     13      20.3814      0.00000
     14      22.7402      0.00000
     15      24.1362      0.00000
     16      24.9211      0.00000

 k-point   362 :      -0.3636   -0.2727   -0.5455
  band No.  band energies     occupation 
      1      -3.4837      2.00000
      2      -0.0958      2.00000
      3       2.2231      2.00000
      4       4.0760      2.00000
      5       8.8528      0.00000
      6       9.8499      0.00000
      7      11.6027      0.00000
      8      12.2589      0.00000
      9      14.5532      0.00000
     10      15.1935      0.00000
     11      18.6096      0.00000
     12      20.6768      0.00000
     13      20.8586      0.00000
     14      21.3761      0.00000
     15      23.8622      0.00000
     16      24.2240      0.00000

 k-point   363 :      -0.2727   -0.2727   -0.5455
  band No.  band energies     occupation 
      1      -3.5676      2.00000
      2       0.1000      2.00000
      3       1.9564      2.00000
      4       4.4345      2.00000
      5       8.2142      0.00000
      6      11.2552      0.00000
      7      11.6173      0.00000
      8      12.5143      0.00000
      9      12.6905      0.00000
     10      15.1343      0.00000
     11      19.3060      0.00000
     12      19.9832      0.00000
     13      20.8203      0.00000
     14      23.0277      0.00000
     15      23.3024      0.00000
     16      24.0136      0.00000

 k-point   364 :       0.5455    0.8182    0.4545
  band No.  band energies     occupation 
      1      -2.9033      2.00000
      2      -0.5381      2.00000
      3       2.3010      2.00000
      4       3.1898      2.00000
      5       7.7776      0.00000
      6       9.1137      0.00000
      7      12.0326      0.00000
      8      14.3204      0.00000
      9      15.6974      0.00000
     10      17.3492      0.00000
     11      18.3052      0.00000
     12      20.3706      0.00000
     13      20.7339      0.00000
     14      21.4151      0.00000
     15      23.2750      0.00000
     16      23.9453      0.00000

 k-point   365 :       0.6364    0.8182    0.4545
  band No.  band energies     occupation 
      1      -3.2743      2.00000
      2      -0.1042      2.00000
      3       2.1855      2.00000
      4       3.3844      2.00000
      5       9.1170      0.00000
      6       9.7118      0.00000
      7      10.3300      0.00000
      8      13.7955      0.00000
      9      15.3762      0.00000
     10      15.6182      0.00000
     11      19.7522      0.00000
     12      20.4594      0.00000
     13      20.4634      0.00000
     14      20.9110      0.00000
     15      23.0612      0.00000
     16      24.4648      0.00000

 k-point   366 :       0.5455    0.9091    0.4545
  band No.  band energies     occupation 
      1      -2.4156      2.00000
      2      -1.1177      2.00000
      3       2.7584      2.00000
      4       2.9054      2.00000
      5       7.3736      0.00000
      6       7.6232      0.00000
      7      13.9296      0.00000
      8      15.6947      0.00000
      9      16.1142      0.00000
     10      17.5854      0.00000
     11      18.2974      0.00000
     12      19.8547      0.00000
     13      20.3025      0.00000
     14      21.5149      0.00000
     15      22.7009      0.00000
     16      24.2570      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001  -0.001   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.001  -0.000   4.176  -0.000  -0.000  -0.005   0.000   0.000
  0.000  -0.000  -0.000   4.176   0.000   0.000  -0.005  -0.000
  0.000  -0.000  -0.000   0.000   4.176   0.000  -0.000  -0.005
 -0.000   0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
 -0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005   0.000
 -0.000   0.000   0.000  -0.000  -0.005  -0.000   0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821   0.004   0.000   0.000  -0.012  -0.000   0.000
 -0.821   0.832  -0.012  -0.000   0.000   0.016   0.000  -0.000
  0.004  -0.012   1.046   0.000  -0.000  -0.589  -0.000   0.000
  0.000  -0.000   0.000   1.047   0.011  -0.000  -0.590  -0.006
  0.000   0.000  -0.000   0.011   1.046   0.000  -0.006  -0.589
 -0.012   0.016  -0.589  -0.000   0.000   0.391   0.000  -0.000
 -0.000   0.000  -0.000  -0.590  -0.006   0.000   0.391   0.004
  0.000  -0.000   0.000  -0.006  -0.589  -0.000   0.004   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0550: real time    0.0548
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0240: real time    0.0239
    STRESS:  cpu time    0.3739: real time    0.3744
    FORCOR:  cpu time    0.0040: real time    0.0039
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.78369   -76.76086   -76.73294     0.00000    -0.00000     1.29535
  Hartree     4.88213     4.88207     4.89349     0.00000     0.00000     0.31224
  E(xc)     -25.50537   -25.50573   -25.50575    -0.00000    -0.00000    -0.01190
  Local     -28.90971   -28.92949   -28.97210     0.00001     0.00001    -1.59266
  n-local    78.30921    78.31590    78.31801    -0.88589     0.63309     0.23162
  augment   -11.66332   -11.66339   -11.66413    -0.00001    -0.00001    -0.02703
  Kinetic    57.26397    57.25836    57.26629    -0.59414     0.76635     0.20307
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.03405     1.03769     1.04370    -0.00000     0.00000     0.41070
  in kB      42.33504    42.48401    42.73028    -0.00000     0.00000    16.81444
  external pressure =       42.52 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.182767527
    -0.040420200  2.694680000  2.694680000    -0.185550789  0.185550789  0.182767527
     2.654259800  0.000000000  2.694680000     0.185550789 -0.185550789  0.188334051

  length of vectors
     3.810853002  3.811067357  3.782379593     0.319784552  0.319784552  0.322998305


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.699E-07 0.157E+01 0.710E-07   0.361E-14 -.120E+01 -.208E-15   -.689E-17 -.533E+00 -.790E-17   0.248E-06 -.679E-03 0.104E-06
   -.699E-07 -.157E+01 -.710E-07   -.365E-14 0.120E+01 0.509E-15   -.146E-16 0.533E+00 0.803E-17   -.248E-06 0.679E-03 -.104E-06
 -----------------------------------------------------------------------------------------------
   0.384E-14 0.218E-13 -.418E-13   -.452E-16 0.000E+00 0.301E-15   -.215E-16 -.111E-15 0.128E-18   0.754E-15 -.153E-14 -.291E-16
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.164698      0.000000
      1.32713      1.34734      1.34734        -0.000000      0.164698     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82180399 eV

  energy  without entropy=      -10.82180399  energy(sigma->0) =      -10.82180399
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy =-0.5545779E-06 0.555E-06
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.2842171E-13 0.284E-13


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0056


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   6/  7
  Displacement:        2/  2
  Total:              12/ 14
  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.3893600000
  
  Lattice vectors:
  
 A1 = (   2.6946800000,   2.6946800000,   0.0000000000)
 A2 = (   0.0000000000,   2.6946800000,   2.6946800000)
 A3 = (   2.6946800000,   0.0000000000,   2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry C_2v.
 The point group associated with its full space group is D_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry C_2v.
 The point group associated with its full space group is D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     0.000000    -0.707107    -0.707107     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    5    -1.000000     0.000000     1.000000     0.000000     0.000000     0.252783     0.247217     0.252783
    6     1.000000   180.000000     0.000000    -0.707107    -0.707107     0.252783     0.247217     0.252783
    7    -1.000000   180.000000     1.000000     0.000000     0.000000     0.252783     0.247217     0.252783
    8     1.000000   180.000000     0.000000    -0.707107     0.707107     0.252783     0.247217     0.252783
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    216 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      4.000000
  0.181818 -0.000000 -0.000000      4.000000
  0.272727  0.000000  0.000000      4.000000
  0.363636 -0.000000 -0.000000      4.000000
  0.454545 -0.000000 -0.000000      4.000000
 -0.000000  0.090909  0.000000      4.000000
  0.090909  0.090909  0.000000      4.000000
  0.181818  0.090909  0.000000      8.000000
  0.272727  0.090909 -0.000000      8.000000
  0.363636  0.090909  0.000000      8.000000
  0.454545  0.090909 -0.000000      8.000000
 -0.454545  0.090909 -0.000000      8.000000
 -0.363636  0.090909 -0.000000      8.000000
 -0.272727  0.090909  0.000000      8.000000
 -0.181818  0.090909 -0.000000      8.000000
 -0.090909  0.090909 -0.000000      8.000000
 -0.000000  0.181818  0.000000      4.000000
  0.090909  0.181818  0.000000      8.000000
  0.181818  0.181818  0.000000      4.000000
  0.272727  0.181818  0.000000      8.000000
  0.363636  0.181818  0.000000      8.000000
  0.454545  0.181818  0.000000      8.000000
 -0.454545  0.181818 -0.000000      8.000000
 -0.363636  0.181818 -0.000000      8.000000
 -0.272727  0.181818 -0.000000      8.000000
 -0.181818  0.181818 -0.000000      8.000000
 -0.090909  0.181818  0.000000      8.000000
 -0.000000  0.272727  0.000000      4.000000
  0.090909  0.272727  0.000000      8.000000
  0.181818  0.272727  0.000000      8.000000
  0.272727  0.272727  0.000000      4.000000
  0.363636  0.272727  0.000000      8.000000
  0.454545  0.272727  0.000000      8.000000
 -0.454545  0.272727  0.000000      8.000000
 -0.363636  0.272727  0.000000      8.000000
 -0.272727  0.272727  0.000000      8.000000
 -0.181818  0.272727  0.000000      8.000000
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  0.185551 -0.050605 -0.084341      4.000000
  0.151814 -0.050605 -0.050605      4.000000
  0.168683 -0.033737 -0.067473      8.000000
  0.185551 -0.016868 -0.084341      4.000000
  0.134946 -0.033737 -0.033737      4.000000
  0.151814 -0.016868 -0.050605      8.000000
  0.168683  0.000000 -0.067473      8.000000
  0.000000 -0.168683  0.101210      4.000000
  0.118078 -0.016868 -0.016868      4.000000
  0.134946  0.000000 -0.033737      8.000000
  0.151814  0.016868 -0.050605      8.000000
 -0.016868 -0.151814  0.118078      8.000000
  0.000000 -0.134946  0.101210      4.000000
  0.134946  0.000000  0.000000      2.000000
  0.151814  0.016868 -0.016868      4.000000
 -0.016868 -0.151814  0.151814      4.000000
 -0.000000 -0.134946  0.134946      2.000000
  0.185551 -0.050605 -0.050605      2.000000
  0.168683 -0.033737 -0.033737      4.000000
  0.185551 -0.016868 -0.050605      4.000000
  0.151814 -0.016868 -0.016868      4.000000
  0.168683  0.000000 -0.033737      8.000000
 -0.000000 -0.168683  0.134946      4.000000
  0.168683  0.000000  0.000000      2.000000
 -0.000000 -0.168683  0.168683      2.000000
  0.185551 -0.016868 -0.016868      2.000000
 
    WAVPRE:  cpu time    0.1050: real time    0.1097
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0340: real time    0.0348
    ORTHCH:  cpu time    0.1920: real time    0.1920
     LOOP+:  cpu time    9.5545: real time    9.5670


--------------------------------------- Iteration     14(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0057
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.3489: real time    0.3489
  RMM-DIIS:  cpu time    0.2490: real time    0.2492
    ORTHCH:  cpu time    0.1860: real time    0.1861
       DOS:  cpu time    0.0020: real time    0.0020
    CHARGE:  cpu time    0.0340: real time    0.0337
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8259: real time    0.8271

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) :-0.4994316E-02  (-0.6372786E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596497 magnetization 

 Broyden mixing:
  rms(total) = 0.16446E-01    rms(broyden)= 0.16444E-01
  rms(prec ) = 0.60707E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65356660
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85674816
  PAW double counting   =        75.11719000      -40.17621744
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45476740
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82679750 eV

  energy without entropy =      -10.82679750  energy(sigma->0) =      -10.82679750


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0041
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.3499: real time    0.3494
  RMM-DIIS:  cpu time    0.2470: real time    0.2470
    ORTHCH:  cpu time    0.1850: real time    0.1855
       DOS:  cpu time    0.0020: real time    0.0020
    CHARGE:  cpu time    0.0330: real time    0.0330
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8219: real time    0.8224

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) : 0.1982867E-02  (-0.5294766E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4596163 magnetization 

 Broyden mixing:
  rms(total) = 0.10753E-01    rms(broyden)= 0.10753E-01
  rms(prec ) = 0.40500E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.8421
  2.8421

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65264462
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85675943
  PAW double counting   =        75.12011188      -40.17920317
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45590339
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82481463 eV

  energy without entropy =      -10.82481463  energy(sigma->0) =      -10.82481463


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0041
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.3469: real time    0.3475
  RMM-DIIS:  cpu time    0.2330: real time    0.2332
    ORTHCH:  cpu time    0.1860: real time    0.1854
       DOS:  cpu time    0.0020: real time    0.0020
    CHARGE:  cpu time    0.0330: real time    0.0332
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8069: real time    0.8068

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) : 0.1600292E-02  (-0.1172496E-03)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595581 magnetization 

 Broyden mixing:
  rms(total) = 0.10413E-02    rms(broyden)= 0.10412E-02
  rms(prec ) = 0.29246E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4147
  1.9668  2.8625

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65261018
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85664294
  PAW double counting   =        75.12101695      -40.18014484
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45738936
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82321434 eV

  energy without entropy =      -10.82321434  energy(sigma->0) =      -10.82321434


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.3479: real time    0.3476
  RMM-DIIS:  cpu time    0.2470: real time    0.2469
    ORTHCH:  cpu time    0.1850: real time    0.1856
       DOS:  cpu time    0.0030: real time    0.0020
    CHARGE:  cpu time    0.0330: real time    0.0332
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8209: real time    0.8209

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) :-0.6543558E-04  (-0.2703644E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595599 magnetization 

 Broyden mixing:
  rms(total) = 0.18629E-03    rms(broyden)= 0.18625E-03
  rms(prec ) = 0.59335E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1797
  0.9180  3.0492  2.5718

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65208388
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85668497
  PAW double counting   =        75.11504858      -40.17401587
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45667905
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82327977 eV

  energy without entropy =      -10.82327977  energy(sigma->0) =      -10.82327977


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0041
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.3479: real time    0.3473
  RMM-DIIS:  cpu time    0.2330: real time    0.2333
    ORTHCH:  cpu time    0.1850: real time    0.1853
       DOS:  cpu time    0.0020: real time    0.0020
    CHARGE:  cpu time    0.0330: real time    0.0332
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8069: real time    0.8066

 eigenvalue-minimisations  :  6253
 total energy-change (2. order) :-0.1291632E-04  (-0.1427337E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595606 magnetization 

 Broyden mixing:
  rms(total) = 0.87155E-04    rms(broyden)= 0.87149E-04
  rms(prec ) = 0.33070E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1895
  0.9993  3.1117  2.6737  1.9733

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65177991
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85671637
  PAW double counting   =        75.11390855      -40.17284650
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45636423
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82329269 eV

  energy without entropy =      -10.82329269  energy(sigma->0) =      -10.82329269


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0012
    EDDIAG:  cpu time    0.3469: real time    0.3475
  RMM-DIIS:  cpu time    0.2430: real time    0.2426
    ORTHCH:  cpu time    0.1860: real time    0.1856
       DOS:  cpu time    0.0020: real time    0.0021
    CHARGE:  cpu time    0.0330: real time    0.0332
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8159: real time    0.8165

 eigenvalue-minimisations  :  4607
 total energy-change (2. order) :-0.3216336E-05  (-0.1439903E-07)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595618 magnetization 

 Broyden mixing:
  rms(total) = 0.10150E-04    rms(broyden)= 0.10147E-04
  rms(prec ) = 0.31118E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1803
  0.9986  3.1204  2.7093  2.0367  2.0367

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65134593
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85676644
  PAW double counting   =        75.11373630      -40.17267299
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45597585
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82329591 eV

  energy without entropy =      -10.82329591  energy(sigma->0) =      -10.82329591


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   7)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0012
    EDDIAG:  cpu time    0.3469: real time    0.3480
  RMM-DIIS:  cpu time    0.3220: real time    0.3215
    ORTHCH:  cpu time    0.1850: real time    0.1855
       DOS:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time    0.8619: real time    0.8624

 eigenvalue-minimisations  :  3820
 total energy-change (2. order) :-0.1074935E-06  (-0.1751896E-08)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595618 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65123902
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85677894
  PAW double counting   =        75.11382689      -40.17276720
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45588494
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82329601 eV

  energy without entropy =      -10.82329601  energy(sigma->0) =      -10.82329601


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9892       2 -82.9892
 
 
 
 E-fermi :   6.1727     XC(G=0):  -9.4993     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0567      2.00000
      2       5.9879      2.00000
      3       6.0617      2.00000
      4       6.1344      2.00000
      5       8.5947      0.00000
      6       8.6366      0.00000
      7       8.6800      0.00000
      8       9.7005      0.00000
      9      13.8037      0.00000
     10      13.8052      0.00000
     11      14.1119      0.00000
     12      17.3446      0.00000
     13      17.3942      0.00000
     14      17.4437      0.00000
     15      21.6157      0.00000
     16      29.4773      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9466      2.00000
      2       5.1068      2.00000
      3       5.8232      2.00000
      4       5.9156      2.00000
      5       8.6864      0.00000
      6       8.8715      0.00000
      7       8.9263      0.00000
      8      10.4413      0.00000
      9      13.4880      0.00000
     10      13.4901      0.00000
     11      14.5736      0.00000
     12      16.9879      0.00000
     13      18.0538      0.00000
     14      18.1150      0.00000
     15      22.3292      0.00000
     16      28.2918      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6203      2.00000
      2       3.3996      2.00000
      3       5.4848      2.00000
      4       5.5680      2.00000
      5       8.4167      0.00000
      6       9.3348      0.00000
      7       9.4010      0.00000
      8      12.0061      0.00000
      9      13.1303      0.00000
     10      13.1452      0.00000
     11      15.3016      0.00000
     12      16.8847      0.00000
     13      19.5708      0.00000
     14      19.6275      0.00000
     15      23.8615      0.00000
     16      25.8580      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0946      2.00000
      2       1.7082      2.00000
      3       5.1614      2.00000
      4       5.2406      2.00000
      5       8.0808      0.00000
      6       9.5560      0.00000
      7       9.6388      0.00000
      8      13.4329      0.00000
      9      13.4600      0.00000
     10      13.5328      0.00000
     11      15.0742      0.00000
     12      18.5397      0.00000
     13      21.1454      0.00000
     14      21.1845      0.00000
     15      23.7396      0.00000
     16      23.7748      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4215      2.00000
      2       0.2238      2.00000
      3       4.9292      2.00000
      4       5.0074      2.00000
      5       7.8245      0.00000
      6       9.4708      0.00000
      7       9.5598      0.00000
      8      14.0014      0.00000
      9      14.5225      0.00000
     10      14.5572      0.00000
     11      15.8001      0.00000
     12      20.2204      0.00000
     13      20.2504      0.00000
     14      20.3381      0.00000
     15      22.9495      0.00000
     16      24.5790      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.7982      2.00000
      2      -0.8128      2.00000
      3       4.8108      2.00000
      4       4.8890      2.00000
      5       7.6909      0.00000
      6       9.3510      0.00000
      7       9.4410      0.00000
      8      13.8349      0.00000
      9      16.0936      0.00000
     10      16.1166      0.00000
     11      17.2875      0.00000
     12      18.1883      0.00000
     13      18.2411      0.00000
     14      19.7239      0.00000
     15      24.6001      0.00000
     16      26.8851      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9093      2.00000
      2       5.2636      2.00000
      3       5.5527      2.00000
      4       5.5661      2.00000
      5       8.3078      0.00000
      6       9.3255      0.00000
      7       9.3280      0.00000
      8      10.3997      0.00000
      9      12.9257      0.00000
     10      13.9657      0.00000
     11      14.7277      0.00000
     12      17.6443      0.00000
     13      17.6491      0.00000
     14      18.0204      0.00000
     15      22.6401      0.00000
     16      27.8743      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6544      2.00000
      2       3.9237      2.00000
      3       5.1449      2.00000
      4       5.3068      2.00000
      5       8.3499      0.00000
      6       9.4530      0.00000
      7       9.9186      0.00000
      8      11.1593      0.00000
      9      12.8043      0.00000
     10      13.9366      0.00000
     11      15.5602      0.00000
     12      17.2126      0.00000
     13      18.5098      0.00000
     14      19.4664      0.00000
     15      23.9789      0.00000
     16      25.7747      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1928      2.00000
      2       2.2658      2.00000
      3       4.8191      2.00000
      4       4.9386      2.00000
      5       8.4988      0.00000
      6       9.4309      0.00000
      7      10.2504      0.00000
      8      11.4457      0.00000
      9      14.0298      0.00000
     10      14.1549      0.00000
     11      15.7076      0.00000
     12      18.0474      0.00000
     13      20.0057      0.00000
     14      21.2689      0.00000
     15      23.3949      0.00000
     16      24.0094      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5591      2.00000
      2       0.7244      2.00000
      3       4.5397      2.00000
      4       4.6482      2.00000
      5       8.3733      0.00000
      6       9.4119      0.00000
      7      10.1552      0.00000
      8      12.2377      0.00000
      9      15.0147      0.00000
     10      15.1032      0.00000
     11      15.9041      0.00000
     12      19.7616      0.00000
     13      19.9354      0.00000
     14      21.4344      0.00000
     15      23.1346      0.00000
     16      23.6557      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.8757      2.00000
      2      -0.4950      2.00000
      3       4.2449      2.00000
      4       4.6044      2.00000
      5       8.2463      0.00000
      6       9.3417      0.00000
      7       9.9001      0.00000
      8      13.5071      0.00000
      9      14.8968      0.00000
     10      16.5358      0.00000
     11      17.4634      0.00000
     12      17.9985      0.00000
     13      18.8945      0.00000
     14      21.2421      0.00000
     15      23.7972      0.00000
     16      25.2869      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.5992      2.00000
      2      -0.9070      2.00000
      3       4.0650      2.00000
      4       4.7099      2.00000
      5       8.2303      0.00000
      6       9.3843      0.00000
      7       9.7084      0.00000
      8      14.1901      0.00000
      9      15.5382      0.00000
     10      15.8180      0.00000
     11      17.1933      0.00000
     12      18.5910      0.00000
     13      19.0056      0.00000
     14      19.9901      0.00000
     15      25.2223      0.00000
     16      26.3777      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0925      2.00000
      2      -0.1434      2.00000
      3       4.0265      2.00000
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     10      15.3575      0.00000
     11      17.5339      0.00000
     12      18.1231      0.00000
     13      20.6218      0.00000
     14      20.9427      0.00000
     15      23.0448      0.00000
     16      24.4617      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
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     10      15.4818      0.00000
     11      15.8568      0.00000
     12      19.0299      0.00000
     13      20.3558      0.00000
     14      22.2058      0.00000
     15      22.2578      0.00000
     16      24.0604      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3686      2.00000
      2       2.7922      2.00000
      3       4.4456      2.00000
      4       5.6434      2.00000
      5       8.8515      0.00000
      6       9.3279      0.00000
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     10      14.3878      0.00000
     11      15.8558      0.00000
     12      17.4808      0.00000
     13      19.3071      0.00000
     14      21.1447      0.00000
     15      23.4364      0.00000
     16      24.7212      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7634      2.00000
      2       4.2703      2.00000
      3       5.0376      2.00000
      4       5.9204      2.00000
      5       8.9330      0.00000
      6       9.0956      0.00000
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     10      13.6790      0.00000
     11      15.2313      0.00000
     12      17.2250      0.00000
     13      17.9527      0.00000
     14      19.4173      0.00000
     15      23.3432      0.00000
     16      25.9137      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4697      2.00000
      2       3.7743      2.00000
      3       4.7012      2.00000
      4       4.7041      2.00000
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      9      13.0342      0.00000
     10      14.4532      0.00000
     11      16.2360      0.00000
     12      18.3931      0.00000
     13      18.3949      0.00000
     14      19.0090      0.00000
     15      25.1495      0.00000
     16      25.4113      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0758      2.00000
      2       2.6162      2.00000
      3       4.2445      2.00000
      4       4.3560      2.00000
      5       7.7022      0.00000
      6       9.8006      0.00000
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      8      11.2812      0.00000
      9      14.3279      0.00000
     10      14.8108      0.00000
     11      17.0018      0.00000
     12      18.3392      0.00000
     13      19.3115      0.00000
     14      20.6390      0.00000
     15      23.3474      0.00000
     16      23.8543      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4941      2.00000
      2       1.2086      2.00000
      3       3.7086      2.00000
      4       4.1560      2.00000
      5       7.9377      0.00000
      6      10.1629      0.00000
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      8      11.3293      0.00000
      9      15.6732      0.00000
     10      16.0607      0.00000
     11      16.7250      0.00000
     12      19.5480      0.00000
     13      19.6722      0.00000
     14      21.3689      0.00000
     15      22.2800      0.00000
     16      23.6332      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.8007      2.00000
      2      -0.0616      2.00000
      3       3.2287      2.00000
      4       4.1252      2.00000
      5       7.9767      0.00000
      6      10.5701      0.00000
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      9      16.0882      0.00000
     10      17.0220      0.00000
     11      17.9044      0.00000
     12      17.9244      0.00000
     13      19.0385      0.00000
     14      22.4010      0.00000
     15      23.9894      0.00000
     16      24.3528      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.3065      2.00000
      2      -0.7920      2.00000
      3       2.8889      2.00000
      4       4.2613      2.00000
      5       8.0852      0.00000
      6      10.4390      0.00000
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      9      15.2974      0.00000
     10      15.6936      0.00000
     11      17.7035      0.00000
     12      19.0266      0.00000
     13      19.8952      0.00000
     14      22.0683      0.00000
     15      25.0852      0.00000
     16      25.3195      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.5956      2.00000
      2      -0.3758      2.00000
      3       2.7316      2.00000
      4       4.5471      2.00000
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     10      14.8599      0.00000
     11      17.5389      0.00000
     12      20.1556      0.00000
     13      21.0484      0.00000
     14      21.4133      0.00000
     15      22.7650      0.00000
     16      25.1010      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2809      2.00000
      2       0.7640      2.00000
      3       2.8113      2.00000
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     10      16.3225      0.00000
     11      18.1496      0.00000
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     13      20.1547      0.00000
     14      22.2427      0.00000
     15      22.9343      0.00000
     16      24.0132      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9099      2.00000
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     10      16.2454      0.00000
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     12      17.8197      0.00000
     13      19.9534      0.00000
     14      21.2713      0.00000
     15      22.7731      0.00000
     16      24.9725      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     11      18.1398      0.00000
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     14      20.2480      0.00000
     15      23.2467      0.00000
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 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
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     11      18.3465      0.00000
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     13      19.9999      0.00000
     14      21.0250      0.00000
     15      22.1035      0.00000
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 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     10      17.4509      0.00000
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     13      19.8963      0.00000
     14      21.9030      0.00000
     15      22.9977      0.00000
     16      24.6532      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
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     10      15.7695      0.00000
     11      19.3199      0.00000
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     13      20.1585      0.00000
     14      23.8844      0.00000
     15      23.9250      0.00000
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 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9749      2.00000
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     11      19.2639      0.00000
     12      21.4191      0.00000
     13      21.5710      0.00000
     14      22.2868      0.00000
     15      22.9659      0.00000
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 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
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     10      14.9005      0.00000
     11      19.2590      0.00000
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     13      20.5863      0.00000
     14      23.0070      0.00000
     15      23.3991      0.00000
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 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.7555      2.00000
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      5       6.6648      0.00000
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     11      19.3957      0.00000
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     14      21.6556      0.00000
     15      21.9250      0.00000
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 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.1230      2.00000
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      3       2.8838      2.00000
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     13      20.8801      0.00000
     14      21.2857      0.00000
     15      21.9353      0.00000
     16      24.0709      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.4357      2.00000
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      3       2.0782      2.00000
      4       3.4171      2.00000
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     10      16.0214      0.00000
     11      19.5266      0.00000
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     14      21.5866      0.00000
     15      22.3115      0.00000
     16      24.4146      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -2.3520      2.00000
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      3       1.5858      2.00000
      4       3.6670      2.00000
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     10      14.3624      0.00000
     11      21.1119      0.00000
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     14      21.8956      0.00000
     15      22.0804      0.00000
     16      23.8110      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.5231      2.00000
      2      -1.0898      2.00000
      3       3.1841      2.00000
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      5       6.6137      0.00000
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      9      17.7353      0.00000
     10      17.7516      0.00000
     11      17.8597      0.00000
     12      18.6544      0.00000
     13      19.6006      0.00000
     14      19.9685      0.00000
     15      24.0558      0.00000
     16      24.9245      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
      1      -1.8605      2.00000
      2      -1.7487      2.00000
      3       2.7238      2.00000
      4       3.2101      2.00000
      5       6.7943      0.00000
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     10      16.4574      0.00000
     11      19.3265      0.00000
     12      19.4299      0.00000
     13      19.7817      0.00000
     14      20.3125      0.00000
     15      24.1439      0.00000
     16      24.4678      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3286      2.00000
      2       3.0298      2.00000
      3       4.1783      2.00000
      4       5.2293      2.00000
      5       8.4052      0.00000
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     10      14.5866      0.00000
     11      16.4247      0.00000
     12      17.6556      0.00000
     13      18.8556      0.00000
     14      20.8106      0.00000
     15      23.4183      0.00000
     16      25.1217      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8057      2.00000
      2       1.7009      2.00000
      3       3.5860      2.00000
      4       4.9081      2.00000
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     10      16.1483      0.00000
     11      16.5440      0.00000
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     13      20.0888      0.00000
     14      21.5619      0.00000
     15      22.2519      0.00000
     16      24.3791      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1342      2.00000
      2       0.3285      2.00000
      3       3.3239      2.00000
      4       4.5620      2.00000
      5       8.7718      0.00000
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     10      15.9987      0.00000
     11      17.9355      0.00000
     12      18.1330      0.00000
     13      20.5094      0.00000
     14      21.5406      0.00000
     15      23.1205      0.00000
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 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5067      2.00000
      2      -0.6751      2.00000
      3       3.2225      2.00000
      4       4.3501      2.00000
      5       8.7699      0.00000
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     10      16.0422      0.00000
     11      17.3908      0.00000
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     14      21.6696      0.00000
     15      24.0497      0.00000
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 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6152      2.00000
      2       1.7344      2.00000
      3       3.4471      2.00000
      4       4.1907      2.00000
      5       7.8269      0.00000
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     10      16.2484      0.00000
     11      17.7116      0.00000
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     13      20.0437      0.00000
     14      21.5243      0.00000
     15      21.6189      0.00000
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 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9854      2.00000
      2       0.6474      2.00000
      3       2.8337      2.00000
      4       3.8786      2.00000
      5       8.1860      0.00000
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     10      16.9372      0.00000
     11      18.1924      0.00000
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     13      20.4276      0.00000
     14      21.0049      0.00000
     15      22.6364      0.00000
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 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.2987      2.00000
      2      -0.3839      2.00000
      3       2.4383      2.00000
      4       3.7218      2.00000
      5       8.3196      0.00000
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     10      16.9272      0.00000
     11      17.9768      0.00000
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     14      22.6683      0.00000
     15      24.1849      0.00000
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 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.0248      2.00000
      2      -0.7443      2.00000
      3       2.2072      2.00000
      4       3.8109      2.00000
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     10      16.2434      0.00000
     11      18.3872      0.00000
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     13      22.0212      0.00000
     14      22.4462      0.00000
     15      23.6221      0.00000
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5404      2.00000
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     11      18.5741      0.00000
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     14      21.3563      0.00000
     15      23.8905      0.00000
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 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.2298      2.00000
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     10      16.6943      0.00000
     11      18.2997      0.00000
     12      18.6476      0.00000
     13      19.7380      0.00000
     14      22.0875      0.00000
     15      22.4792      0.00000
     16      25.1081      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6428      2.00000
      2       0.3469      2.00000
      3       2.9610      2.00000
      4       3.3620      2.00000
      5       7.4553      0.00000
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      7      12.5311      0.00000
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      9      16.3389      0.00000
     10      17.4956      0.00000
     11      18.1588      0.00000
     12      19.4709      0.00000
     13      20.3935      0.00000
     14      21.0120      0.00000
     15      22.4696      0.00000
     16      23.1186      0.00000

 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9489      2.00000
      2      -0.4792      2.00000
      3       2.2765      2.00000
      4       3.1891      2.00000
      5       7.7978      0.00000
      6       9.1430      0.00000
      7      12.1694      0.00000
      8      14.3148      0.00000
      9      15.4949      0.00000
     10      17.4594      0.00000
     11      18.3465      0.00000
     12      20.1932      0.00000
     13      20.7506      0.00000
     14      21.3829      0.00000
     15      23.3526      0.00000
     16      23.9506      0.00000

 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4673      2.00000
      2      -0.9890      2.00000
      3       1.7419      2.00000
      4       3.3050      2.00000
      5       8.0176      0.00000
      6      10.7241      0.00000
      7      11.8767      0.00000
      8      13.4952      0.00000
      9      14.2214      0.00000
     10      16.3702      0.00000
     11      19.4163      0.00000
     12      20.5090      0.00000
     13      21.9341      0.00000
     14      22.3447      0.00000
     15      23.5186      0.00000
     16      24.5754      0.00000

 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8538      2.00000
      2      -0.6006      2.00000
      3       1.6503      2.00000
      4       3.6311      2.00000
      5       8.4020      0.00000
      6      11.1798      0.00000
      7      11.9475      0.00000
      8      12.8422      0.00000
      9      13.7867      0.00000
     10      14.9594      0.00000
     11      20.3824      0.00000
     12      20.8391      0.00000
     13      20.9302      0.00000
     14      22.8939      0.00000
     15      22.9306      0.00000
     16      24.0344      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4461      2.00000
      2      -1.0846      2.00000
      3       2.7645      2.00000
      4       2.8880      2.00000
      5       7.3758      0.00000
      6       7.6420      0.00000
      7      14.0867      0.00000
      8      15.6003      0.00000
      9      16.0381      0.00000
     10      17.5952      0.00000
     11      18.3054      0.00000
     12      19.8481      0.00000
     13      20.1200      0.00000
     14      21.6974      0.00000
     15      22.8324      0.00000
     16      24.3092      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9226      2.00000
      2      -1.5435      2.00000
      3       2.0773      2.00000
      4       2.9629      2.00000
      5       7.6595      0.00000
      6       8.9365      0.00000
      7      13.6204      0.00000
      8      13.8541      0.00000
      9      15.9312      0.00000
     10      16.5665      0.00000
     11      19.2708      0.00000
     12      20.0720      0.00000
     13      21.8382      0.00000
     14      22.5552      0.00000
     15      22.9772      0.00000
     16      23.3663      0.00000

 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3219      2.00000
      2      -0.0587      2.00000
      3       2.1800      2.00000
      4       3.3819      2.00000
      5       9.1498      0.00000
      6       9.7565      0.00000
      7      10.4483      0.00000
      8      13.8472      0.00000
      9      15.1507      0.00000
     10      15.7257      0.00000
     11      19.7504      0.00000
     12      20.3001      0.00000
     13      20.4511      0.00000
     14      20.8586      0.00000
     15      23.0397      0.00000
     16      24.3504      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6751      2.00000
      2      -0.7591      2.00000
      3       1.8706      2.00000
      4       3.0626      2.00000
      5       9.5170      0.00000
      6       9.8793      0.00000
      7      11.2229      0.00000
      8      13.1060      0.00000
      9      14.2874      0.00000
     10      16.9149      0.00000
     11      18.8543      0.00000
     12      20.2217      0.00000
     13      21.7515      0.00000
     14      22.7155      0.00000
     15      23.2401      0.00000
     16      24.9622      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.2509      2.00000
      2      -1.1254      2.00000
      3       2.1253      2.00000
      4       2.5155      2.00000
      5       9.0569      0.00000
      6       9.2570      0.00000
      7      11.7467      0.00000
      8      13.3590      0.00000
      9      15.8411      0.00000
     10      17.3277      0.00000
     11      18.7056      0.00000
     12      20.0616      0.00000
     13      21.8530      0.00000
     14      22.7230      0.00000
     15      23.2331      0.00000
     16      24.5175      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.0422      2.00000
      2      -1.2954      2.00000
      3       1.8336      2.00000
      4       2.5540      2.00000
      5       9.4046      0.00000
      6      10.6803      0.00000
      7      11.5052      0.00000
      8      11.5541      0.00000
      9      15.8666      0.00000
     10      16.9666      0.00000
     11      19.0277      0.00000
     12      20.2306      0.00000
     13      21.8981      0.00000
     14      22.9449      0.00000
     15      24.5197      0.00000
     16      24.5422      0.00000

 k-point    57 :      -0.0000    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.9461      2.00000
      2       5.0367      2.00000
      3       5.8662      2.00000
      4       5.9551      2.00000
      5       8.7233      0.00000
      6       8.8538      0.00000
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      8      10.4306      0.00000
      9      13.4790      0.00000
     10      13.4792      0.00000
     11      14.5712      0.00000
     12      17.0517      0.00000
     13      18.0270      0.00000
     14      18.0892      0.00000
     15      22.3378      0.00000
     16      28.2577      0.00000

 k-point    58 :      -0.0000    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6181      2.00000
      2       3.3460      2.00000
      3       5.5162      2.00000
      4       5.5974      2.00000
      5       8.4432      0.00000
      6       9.3413      0.00000
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      8      11.9851      0.00000
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     10      13.1158      0.00000
     11      15.2947      0.00000
     12      16.9461      0.00000
     13      19.5548      0.00000
     14      19.6120      0.00000
     15      23.8879      0.00000
     16      25.8373      0.00000

 k-point    59 :       0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6529      2.00000
      2       3.8550      2.00000
      3       5.1412      2.00000
      4       5.3950      2.00000
      5       8.3495      0.00000
      6       9.4412      0.00000
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      8      11.1614      0.00000
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     10      13.9055      0.00000
     11      15.5485      0.00000
     12      17.2758      0.00000
     13      18.5234      0.00000
     14      19.4206      0.00000
     15      23.9967      0.00000
     16      25.7106      0.00000

 k-point    60 :      -0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.3667      2.00000
      2       2.7547      2.00000
      3       4.4865      2.00000
      4       5.6349      2.00000
      5       8.8727      0.00000
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     10      14.3759      0.00000
     11      15.8591      0.00000
     12      17.5147      0.00000
     13      19.2828      0.00000
     14      21.1531      0.00000
     15      23.4275      0.00000
     16      24.7376      0.00000

 k-point    61 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.0887      2.00000
      2       1.6589      2.00000
      3       5.1856      2.00000
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      5       8.1024      0.00000
      6       9.5800      0.00000
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      8      13.3880      0.00000
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     10      13.5165      0.00000
     11      15.0724      0.00000
     12      18.5783      0.00000
     13      21.1491      0.00000
     14      21.1887      0.00000
     15      23.6761      0.00000
     16      23.7117      0.00000

 k-point    62 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.1880      2.00000
      2       2.2073      2.00000
      3       4.8125      2.00000
      4       5.0111      2.00000
      5       8.5213      0.00000
      6       9.4018      0.00000
      7      10.3069      0.00000
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     10      14.0937      0.00000
     11      15.7019      0.00000
     12      18.0995      0.00000
     13      20.0332      0.00000
     14      21.2428      0.00000
     15      23.3198      0.00000
     16      23.9855      0.00000

 k-point    63 :       0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -5.0729      2.00000
      2       2.5578      2.00000
      3       4.3119      2.00000
      4       4.3570      2.00000
      5       7.6951      0.00000
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      7      11.0148      0.00000
      8      11.3194      0.00000
      9      14.2960      0.00000
     10      14.7612      0.00000
     11      16.9806      0.00000
     12      18.4035      0.00000
     13      19.3341      0.00000
     14      20.6128      0.00000
     15      23.2789      0.00000
     16      23.8325      0.00000

 k-point    64 :      -0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -4.2757      2.00000
      2       0.7304      2.00000
      3       2.8424      2.00000
      4       4.9374      2.00000
      5       8.7494      0.00000
      6      10.3459      0.00000
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      9      12.5794      0.00000
     10      16.3112      0.00000
     11      18.1726      0.00000
     12      18.2870      0.00000
     13      20.1264      0.00000
     14      22.2283      0.00000
     15      22.9142      0.00000
     16      24.0303      0.00000

 k-point    65 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7793      2.00000
      2       1.1677      2.00000
      3       4.1917      2.00000
      4       5.2594      2.00000
      5       8.5765      0.00000
      6       9.6381      0.00000
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      8      12.8469      0.00000
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     10      15.4924      0.00000
     11      15.8336      0.00000
     12      19.0629      0.00000
     13      20.3557      0.00000
     14      22.1743      0.00000
     15      22.2524      0.00000
     16      24.0737      0.00000

 k-point    66 :      -0.0000    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4074      2.00000
      2       0.1702      2.00000
      3       4.9494      2.00000
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      8      14.0230      0.00000
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     10      14.5115      0.00000
     11      15.7561      0.00000
     12      20.2058      0.00000
     13      20.2408      0.00000
     14      20.3736      0.00000
     15      22.9631      0.00000
     16      24.5273      0.00000

 k-point    67 :       0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5478      2.00000
      2       0.6675      2.00000
      3       4.5895      2.00000
      4       4.6489      2.00000
      5       8.3939      0.00000
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      7      10.2227      0.00000
      8      12.2330      0.00000
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     10      15.0412      0.00000
     11      15.8653      0.00000
     12      19.7950      0.00000
     13      19.9220      0.00000
     14      21.4563      0.00000
     15      23.1028      0.00000
     16      23.6417      0.00000

 k-point    68 :       0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4858      2.00000
      2       1.1463      2.00000
      3       3.7782      2.00000
      4       4.1494      2.00000
      5       7.9349      0.00000
      6      10.1459      0.00000
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      8      11.3891      0.00000
      9      15.5978      0.00000
     10      16.0242      0.00000
     11      16.7115      0.00000
     12      19.5922      0.00000
     13      19.6749      0.00000
     14      21.3965      0.00000
     15      22.2385      0.00000
     16      23.5676      0.00000

 k-point    69 :       0.2727    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.2191      2.00000
      2       1.1398      2.00000
      3       3.4356      2.00000
      4       3.7279      2.00000
      5       7.1652      0.00000
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      7      12.6289      0.00000
      8      12.7906      0.00000
      9      16.0037      0.00000
     10      16.3095      0.00000
     11      18.3160      0.00000
     12      19.5522      0.00000
     13      20.0600      0.00000
     14      21.0496      0.00000
     15      22.0521      0.00000
     16      23.0363      0.00000

 k-point    70 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.9582      2.00000
      2      -0.6681      2.00000
      3       1.7993      2.00000
      4       4.0638      2.00000
      5       7.8001      0.00000
      6      11.9327      0.00000
      7      11.9646      0.00000
      8      12.8816      0.00000
      9      13.8840      0.00000
     10      14.0467      0.00000
     11      19.2938      0.00000
     12      21.3616      0.00000
     13      21.5326      0.00000
     14      22.3056      0.00000
     15      22.9044      0.00000
     16      24.1648      0.00000

 k-point    71 :      -0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -3.5773      2.00000
      2      -0.4309      2.00000
      3       2.7735      2.00000
      4       4.5382      2.00000
      5       8.3533      0.00000
      6      10.4432      0.00000
      7      10.5869      0.00000
      8      13.8653      0.00000
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     10      14.8504      0.00000
     11      17.5800      0.00000
     12      20.1263      0.00000
     13      20.9971      0.00000
     14      21.3977      0.00000
     15      22.7486      0.00000
     16      25.1326      0.00000

 k-point    72 :      -0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.0759      2.00000
      2      -0.1975      2.00000
      3       4.0735      2.00000
      4       4.9264      2.00000
      5       8.3541      0.00000
      6       9.5693      0.00000
      7       9.7088      0.00000
      8      13.9231      0.00000
      9      14.0858      0.00000
     10      15.3306      0.00000
     11      17.5016      0.00000
     12      18.1554      0.00000
     13      20.5809      0.00000
     14      20.9494      0.00000
     15      23.0441      0.00000
     16      24.4427      0.00000

 k-point    73 :      -0.0000    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.7685      2.00000
      2      -0.8803      2.00000
      3       4.8292      2.00000
      4       4.9058      2.00000
      5       7.7086      0.00000
      6       9.3787      0.00000
      7       9.4691      0.00000
      8      13.8602      0.00000
      9      16.0435      0.00000
     10      16.0665      0.00000
     11      17.2029      0.00000
     12      18.1726      0.00000
     13      18.2264      0.00000
     14      19.7920      0.00000
     15      24.6115      0.00000
     16      26.8680      0.00000

 k-point    74 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8512      2.00000
      2      -0.5605      2.00000
      3       4.3002      2.00000
      4       4.5892      2.00000
      5       8.2623      0.00000
      6       9.3334      0.00000
      7       9.9682      0.00000
      8      13.5119      0.00000
      9      14.8800      0.00000
     10      16.4646      0.00000
     11      17.3992      0.00000
     12      17.9646      0.00000
     13      18.9228      0.00000
     14      21.2713      0.00000
     15      23.8075      0.00000
     16      25.2788      0.00000

 k-point    75 :       0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.7816      2.00000
      2      -0.1281      2.00000
      3       3.2877      2.00000
      4       4.1167      2.00000
      5       7.9736      0.00000
      6      10.6018      0.00000
      7      11.1125      0.00000
      8      11.3843      0.00000
      9      16.0809      0.00000
     10      16.9384      0.00000
     11      17.8567      0.00000
     12      17.8861      0.00000
     13      19.0823      0.00000
     14      22.4402      0.00000
     15      23.9849      0.00000
     16      24.3321      0.00000

 k-point    76 :       0.2727    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5385      2.00000
      2       0.0745      2.00000
      3       2.6930      2.00000
      4       3.6654      2.00000
      5       7.3598      0.00000
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      7      12.4819      0.00000
      8      12.6351      0.00000
      9      17.2804      0.00000
     10      17.3564      0.00000
     11      17.8837      0.00000
     12      18.2196      0.00000
     13      19.9355      0.00000
     14      21.9521      0.00000
     15      23.0006      0.00000
     16      24.7257      0.00000

 k-point    77 :       0.3636    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.1152      2.00000
      2      -0.3556      2.00000
      3       2.9042      2.00000
      4       3.3406      2.00000
      5       6.8683      0.00000
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      9      17.5523      0.00000
     10      17.8292      0.00000
     11      17.9519      0.00000
     12      18.3507      0.00000
     13      20.9179      0.00000
     14      21.3240      0.00000
     15      21.9784      0.00000
     16      24.0947      0.00000

 k-point    78 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.4146      2.00000
      2      -1.0962      2.00000
      3       2.0968      2.00000
      4       3.4159      2.00000
      5       7.0378      0.00000
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     10      16.0062      0.00000
     11      19.4572      0.00000
     12      20.1014      0.00000
     13      21.5372      0.00000
     14      21.6402      0.00000
     15      22.3614      0.00000
     16      24.3925      0.00000

 k-point    79 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.8962      2.00000
      2      -0.7605      2.00000
      3       2.1024      2.00000
      4       3.7814      2.00000
      5       7.4976      0.00000
      6      10.8327      0.00000
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      8      12.3312      0.00000
      9      15.6891      0.00000
     10      15.7471      0.00000
     11      19.3206      0.00000
     12      19.3538      0.00000
     13      20.1369      0.00000
     14      23.9320      0.00000
     15      23.9764      0.00000
     16      24.4829      0.00000

 k-point    80 :      -0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.2738      2.00000
      2      -0.8666      2.00000
      3       2.9387      2.00000
      4       4.2519      2.00000
      5       8.0821      0.00000
      6      10.4658      0.00000
      7      10.8095      0.00000
      8      13.0436      0.00000
      9      15.2774      0.00000
     10      15.6432      0.00000
     11      17.7253      0.00000
     12      18.9668      0.00000
     13      19.8657      0.00000
     14      22.0727      0.00000
     15      25.0496      0.00000
     16      25.3471      0.00000

 k-point    81 :      -0.0909    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5661      2.00000
      2      -0.9786      2.00000
      3       4.1153      2.00000
      4       4.6930      2.00000
      5       8.2447      0.00000
      6       9.3807      0.00000
      7       9.7761      0.00000
      8      14.2174      0.00000
      9      15.4603      0.00000
     10      15.7630      0.00000
     11      17.2279      0.00000
     12      18.5407      0.00000
     13      18.9132      0.00000
     14      20.0718      0.00000
     15      25.2115      0.00000
     16      26.3887      0.00000

 k-point    82 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9093      2.00000
      2       5.2781      2.00000
      3       5.4978      2.00000
      4       5.6058      2.00000
      5       8.3086      0.00000
      6       9.3035      0.00000
      7       9.3502      0.00000
      8      10.3999      0.00000
      9      12.9258      0.00000
     10      13.9646      0.00000
     11      14.7283      0.00000
     12      17.5988      0.00000
     13      17.6992      0.00000
     14      18.0157      0.00000
     15      22.6401      0.00000
     16      27.8804      0.00000

 k-point    83 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6540      2.00000
      2       3.9050      2.00000
      3       5.0998      2.00000
      4       5.3790      2.00000
      5       8.3447      0.00000
      6       9.4279      0.00000
      7       9.9482      0.00000
      8      11.1683      0.00000
      9      12.7929      0.00000
     10      13.9237      0.00000
     11      15.5535      0.00000
     12      17.2154      0.00000
     13      18.5624      0.00000
     14      19.4217      0.00000
     15      23.9847      0.00000
     16      25.7350      0.00000

 k-point    84 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1919      2.00000
      2       2.2541      2.00000
      3       4.7790      2.00000
      4       4.9974      2.00000
      5       8.4974      0.00000
      6       9.3847      0.00000
      7      10.2944      0.00000
      8      11.4760      0.00000
      9      14.0162      0.00000
     10      14.1264      0.00000
     11      15.6946      0.00000
     12      18.0600      0.00000
     13      20.0534      0.00000
     14      21.2274      0.00000
     15      23.3607      0.00000
     16      24.0113      0.00000

 k-point    85 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5578      2.00000
      2       0.7169      2.00000
      3       4.5914      2.00000
      4       4.6068      2.00000
      5       8.3696      0.00000
      6       9.3627      0.00000
      7      10.2076      0.00000
      8      12.2735      0.00000
      9      14.9942      0.00000
     10      15.0694      0.00000
     11      15.9043      0.00000
     12      19.7644      0.00000
     13      19.9215      0.00000
     14      21.4599      0.00000
     15      23.1592      0.00000
     16      23.6378      0.00000

 k-point    86 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.8746      2.00000
      2      -0.4990      2.00000
      3       4.3001      2.00000
      4       4.5517      2.00000
      5       8.2402      0.00000
      6       9.2980      0.00000
      7       9.9563      0.00000
      8      13.5367      0.00000
      9      14.8777      0.00000
     10      16.5187      0.00000
     11      17.4694      0.00000
     12      17.9582      0.00000
     13      18.8959      0.00000
     14      21.2792      0.00000
     15      23.7941      0.00000
     16      25.3282      0.00000

 k-point    87 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.6002      2.00000
      2      -0.9059      2.00000
      3       4.1139      2.00000
      4       4.6551      2.00000
      5       8.2241      0.00000
      6       9.3443      0.00000
      7       9.7669      0.00000
      8      14.1881      0.00000
      9      15.5339      0.00000
     10      15.7998      0.00000
     11      17.2366      0.00000
     12      18.5504      0.00000
     13      19.0069      0.00000
     14      20.0042      0.00000
     15      25.2098      0.00000
     16      26.3773      0.00000

 k-point    88 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.0949      2.00000
      2      -0.1378      2.00000
      3       4.0699      2.00000
      4       4.8850      2.00000
      5       8.3342      0.00000
      6       9.5360      0.00000
      7       9.6971      0.00000
      8      13.9172      0.00000
      9      14.1148      0.00000
     10      15.3715      0.00000
     11      17.5635      0.00000
     12      18.1576      0.00000
     13      20.5911      0.00000
     14      20.9223      0.00000
     15      23.0405      0.00000
     16      24.4637      0.00000

 k-point    89 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7877      2.00000
      2       1.2215      2.00000
      3       4.1842      2.00000
      4       5.2113      2.00000
      5       8.5558      0.00000
      6       9.6512      0.00000
      7       9.7658      0.00000
      8      12.8867      0.00000
      9      12.8992      0.00000
     10      15.4978      0.00000
     11      15.8871      0.00000
     12      19.0298      0.00000
     13      20.3409      0.00000
     14      22.2317      0.00000
     15      22.2383      0.00000
     16      24.0747      0.00000

 k-point    90 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3701      2.00000
      2       2.8126      2.00000
      3       4.4729      2.00000
      4       5.5760      2.00000
      5       8.8496      0.00000
      6       9.3855      0.00000
      7       9.6806      0.00000
      8      12.0453      0.00000
      9      12.4409      0.00000
     10      14.4310      0.00000
     11      15.8662      0.00000
     12      17.4620      0.00000
     13      19.2739      0.00000
     14      21.1762      0.00000
     15      23.4764      0.00000
     16      24.7113      0.00000

 k-point    91 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7644      2.00000
      2       4.3274      2.00000
      3       5.0316      2.00000
      4       5.8486      2.00000
      5       8.9813      0.00000
      6       9.0889      0.00000
      7       9.0896      0.00000
      8      11.2634      0.00000
      9      12.7870      0.00000
     10      13.7080      0.00000
     11      15.2356      0.00000
     12      17.1836      0.00000
     13      17.9429      0.00000
     14      19.4525      0.00000
     15      23.3293      0.00000
     16      25.9550      0.00000

 k-point    92 :       0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.7624      2.00000
      2       4.2155      2.00000
      3       5.0467      2.00000
      4       5.9871      2.00000
      5       8.8960      0.00000
      6       9.1059      0.00000
      7       9.1514      0.00000
      8      11.2596      0.00000
      9      12.7716      0.00000
     10      13.6527      0.00000
     11      15.2261      0.00000
     12      17.2688      0.00000
     13      17.9619      0.00000
     14      19.3802      0.00000
     15      23.3571      0.00000
     16      25.8717      0.00000

 k-point    93 :       0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3652      2.00000
      2       2.7341      2.00000
      3       4.4628      2.00000
      4       5.6991      2.00000
      5       8.8761      0.00000
      6       9.3046      0.00000
      7       9.7538      0.00000
      8      12.0467      0.00000
      9      12.4297      0.00000
     10      14.3337      0.00000
     11      15.8485      0.00000
     12      17.5340      0.00000
     13      19.3168      0.00000
     14      21.1203      0.00000
     15      23.3870      0.00000
     16      24.7478      0.00000

 k-point    94 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3264      2.00000
      2       2.9809      2.00000
      3       4.1873      2.00000
      4       5.2845      2.00000
      5       8.3932      0.00000
      6       9.8046      0.00000
      7      10.4942      0.00000
      8      10.8714      0.00000
      9      13.1993      0.00000
     10      14.5383      0.00000
     11      16.4115      0.00000
     12      17.6971      0.00000
     13      18.8771      0.00000
     14      20.7852      0.00000
     15      23.3735      0.00000
     16      25.1272      0.00000

 k-point    95 :      -0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.8022      2.00000
      2       1.6600      2.00000
      3       3.6368      2.00000
      4       4.8919      2.00000
      5       8.7468      0.00000
      6       9.6882      0.00000
      7      10.7942      0.00000
      8      11.0288      0.00000
      9      13.6682      0.00000
     10      16.1355      0.00000
     11      16.5356      0.00000
     12      18.5182      0.00000
     13      20.0924      0.00000
     14      21.5577      0.00000
     15      22.2388      0.00000
     16      24.3206      0.00000

 k-point    96 :       0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7772      2.00000
      2       1.1574      2.00000
      3       4.1573      2.00000
      4       5.3187      2.00000
      5       8.5799      0.00000
      6       9.5767      0.00000
      7       9.8578      0.00000
      8      12.8806      0.00000
      9      12.8868      0.00000
     10      15.4743      0.00000
     11      15.8058      0.00000
     12      19.0625      0.00000
     13      20.3705      0.00000
     14      22.1778      0.00000
     15      22.2432      0.00000
     16      24.0601      0.00000

 k-point    97 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7994      2.00000
      2       1.6402      2.00000
      3       3.6119      2.00000
      4       4.9493      2.00000
      5       8.7224      0.00000
      6       9.7326      0.00000
      7      10.7973      0.00000
      8      10.9929      0.00000
      9      13.6904      0.00000
     10      16.0918      0.00000
     11      16.5320      0.00000
     12      18.5278      0.00000
     13      20.1190      0.00000
     14      21.5192      0.00000
     15      22.2411      0.00000
     16      24.3244      0.00000

 k-point    98 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6114      2.00000
      2       1.6950      2.00000
      3       3.4544      2.00000
      4       4.2306      2.00000
      5       7.8160      0.00000
      6       9.3568      0.00000
      7      11.1692      0.00000
      8      12.1810      0.00000
      9      14.6773      0.00000
     10      16.1980      0.00000
     11      17.6886      0.00000
     12      18.7085      0.00000
     13      20.0758      0.00000
     14      21.5307      0.00000
     15      21.5625      0.00000
     16      23.8633      0.00000

 k-point    99 :      -0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5312      2.00000
      2      -0.0826      2.00000
      3       2.2424      2.00000
      4       4.0934      2.00000
      5       8.9218      0.00000
      6       9.9121      0.00000
      7      11.6675      0.00000
      8      12.3595      0.00000
      9      14.6121      0.00000
     10      14.9768      0.00000
     11      18.5937      0.00000
     12      20.4377      0.00000
     13      20.8002      0.00000
     14      21.3777      0.00000
     15      23.8512      0.00000
     16      24.1762      0.00000

 k-point   100 :      -0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1229      2.00000
      2       0.2756      2.00000
      3       3.3934      2.00000
      4       4.5272      2.00000
      5       8.8094      0.00000
      6       9.4151      0.00000
      7      10.9609      0.00000
      8      11.8440      0.00000
      9      14.7560      0.00000
     10      15.9784      0.00000
     11      17.9146      0.00000
     12      18.1697      0.00000
     13      20.4639      0.00000
     14      21.5672      0.00000
     15      23.0913      0.00000
     16      24.1957      0.00000

 k-point   101 :       0.0909    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0735      2.00000
      2      -0.2032      2.00000
      3       4.0333      2.00000
      4       4.9812      2.00000
      5       8.3589      0.00000
      6       9.6248      0.00000
      7       9.6316      0.00000
      8      13.9409      0.00000
      9      14.1078      0.00000
     10      15.3160      0.00000
     11      17.4723      0.00000
     12      18.1203      0.00000
     13      20.6142      0.00000
     14      20.9680      0.00000
     15      23.0488      0.00000
     16      24.4421      0.00000

 k-point   102 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1194      2.00000
      2       0.2663      2.00000
      3       3.3523      2.00000
      4       4.5862      2.00000
      5       8.7822      0.00000
      6       9.4728      0.00000
      7      10.9089      0.00000
      8      11.8442      0.00000
      9      14.7931      0.00000
     10      15.9743      0.00000
     11      17.8741      0.00000
     12      18.1440      0.00000
     13      20.5094      0.00000
     14      21.5629      0.00000
     15      23.1114      0.00000
     16      24.1655      0.00000

 k-point   103 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9748      2.00000
      2       0.5889      2.00000
      3       2.8700      2.00000
      4       3.8980      2.00000
      5       8.1789      0.00000
      6       9.7801      0.00000
      7      10.8485      0.00000
      8      12.5722      0.00000
      9      15.5218      0.00000
     10      16.9086      0.00000
     11      18.1384      0.00000
     12      18.7138      0.00000
     13      20.4273      0.00000
     14      21.0243      0.00000
     15      22.6396      0.00000
     16      24.4956      0.00000

 k-point   104 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6367      2.00000
      2       0.3203      2.00000
      3       2.9651      2.00000
      4       3.3853      2.00000
      5       7.4454      0.00000
      6       8.3000      0.00000
      7      12.5672      0.00000
      8      13.9640      0.00000
      9      16.3218      0.00000
     10      17.4619      0.00000
     11      18.1205      0.00000
     12      19.4892      0.00000
     13      20.3882      0.00000
     14      21.0364      0.00000
     15      22.4651      0.00000
     16      23.1542      0.00000

 k-point   105 :      -0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4458      2.00000
      2      -1.0307      2.00000
      3       1.7740      2.00000
      4       3.2918      2.00000
      5       8.0177      0.00000
      6      10.7390      0.00000
      7      11.8567      0.00000
      8      13.4890      0.00000
      9      14.2998      0.00000
     10      16.3023      0.00000
     11      19.3372      0.00000
     12      20.5483      0.00000
     13      21.9403      0.00000
     14      22.3921      0.00000
     15      23.5099      0.00000
     16      24.5810      0.00000

 k-point   106 :      -0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9979      2.00000
      2      -0.8105      2.00000
      3       2.2713      2.00000
      4       3.7812      2.00000
      5       8.5431      0.00000
      6      10.1099      0.00000
      7      12.4488      0.00000
      8      12.8781      0.00000
      9      13.4575      0.00000
     10      16.1681      0.00000
     11      18.3660      0.00000
     12      19.3038      0.00000
     13      22.0213      0.00000
     14      22.4180      0.00000
     15      23.6232      0.00000
     16      24.6555      0.00000

 k-point   107 :      -0.0909   -0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.4797      2.00000
      2      -0.7434      2.00000
      3       3.3033      2.00000
      4       4.3018      2.00000
      5       8.8161      0.00000
      6       9.1641      0.00000
      7      10.8898      0.00000
      8      13.3456      0.00000
      9      14.9070      0.00000
     10      15.9735      0.00000
     11      17.3858      0.00000
     12      18.7846      0.00000
     13      19.8263      0.00000
     14      21.6873      0.00000
     15      24.0401      0.00000
     16      25.8407      0.00000

 k-point   108 :       0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5650      2.00000
      2      -0.9797      2.00000
      3       4.0704      2.00000
      4       4.7436      2.00000
      5       8.2509      0.00000
      6       9.4287      0.00000
      7       9.7098      0.00000
      8      14.2193      0.00000
      9      15.4644      0.00000
     10      15.7812      0.00000
     11      17.1850      0.00000
     12      18.5825      0.00000
     13      18.9100      0.00000
     14      20.0587      0.00000
     15      25.2242      0.00000
     16      26.3900      0.00000

 k-point   109 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.4765      2.00000
      2      -0.7473      2.00000
      3       3.2559      2.00000
      4       4.3583      2.00000
      5       8.7884      0.00000
      6       9.2269      0.00000
      7      10.8323      0.00000
      8      13.3499      0.00000
      9      14.8966      0.00000
     10      16.0032      0.00000
     11      17.3731      0.00000
     12      18.8049      0.00000
     13      19.8096      0.00000
     14      21.6866      0.00000
     15      24.0509      0.00000
     16      25.8303      0.00000

 k-point   110 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.2745      2.00000
      2      -0.4530      2.00000
      3       2.4828      2.00000
      4       3.7247      2.00000
      5       8.3145      0.00000
      6      10.4073      0.00000
      7      11.2089      0.00000
      8      12.5257      0.00000
      9      15.1946      0.00000
     10      16.8819      0.00000
     11      17.9492      0.00000
     12      19.2535      0.00000
     13      20.1110      0.00000
     14      22.6972      0.00000
     15      24.1588      0.00000
     16      24.8359      0.00000

 k-point   111 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9316      2.00000
      2      -0.5246      2.00000
      3       2.3057      2.00000
      4       3.1917      2.00000
      5       7.7926      0.00000
      6       9.1448      0.00000
      7      12.2002      0.00000
      8      14.3431      0.00000
      9      15.4630      0.00000
     10      17.4127      0.00000
     11      18.3188      0.00000
     12      20.1650      0.00000
     13      20.7543      0.00000
     14      21.4244      0.00000
     15      23.4033      0.00000
     16      23.9389      0.00000

 k-point   112 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4363      2.00000
      2      -1.1008      2.00000
      3       2.7632      2.00000
      4       2.8979      2.00000
      5       7.3677      0.00000
      6       7.6476      0.00000
      7      14.1185      0.00000
      8      15.6089      0.00000
      9      15.9923      0.00000
     10      17.5997      0.00000
     11      18.3003      0.00000
     12      19.8527      0.00000
     13      20.0679      0.00000
     14      21.7501      0.00000
     15      22.8705      0.00000
     16      24.2791      0.00000

 k-point   113 :      -0.2727    0.5455    0.0909
  band No.  band energies     occupation 
      1      -2.9389      2.00000
      2      -0.5083      2.00000
      3       2.3174      2.00000
      4       3.1667      2.00000
      5       7.7990      0.00000
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     10      17.3871      0.00000
     11      18.2824      0.00000
     12      20.1902      0.00000
     13      20.7781      0.00000
     14      21.4336      0.00000
     15      23.3591      0.00000
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 k-point   114 :      -0.1818    0.5455    0.0909
  band No.  band energies     occupation 
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      2      -0.4438      2.00000
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     14      22.7032      0.00000
     15      24.1723      0.00000
     16      24.8567      0.00000

 k-point   115 :       0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
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      2      -0.5564      2.00000
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     11      17.3927      0.00000
     12      18.0066      0.00000
     13      18.9205      0.00000
     14      21.2338      0.00000
     15      23.8107      0.00000
     16      25.2368      0.00000

 k-point   116 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
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      2      -0.7410      2.00000
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     10      15.9903      0.00000
     11      17.4173      0.00000
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     13      19.8455      0.00000
     14      21.6474      0.00000
     15      24.0390      0.00000
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 k-point   117 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9955      2.00000
      2      -0.8115      2.00000
      3       2.2478      2.00000
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     10      16.2116      0.00000
     11      18.3961      0.00000
     12      19.3043      0.00000
     13      21.9833      0.00000
     14      22.4132      0.00000
     15      23.6190      0.00000
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 k-point   118 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4409      2.00000
      2      -1.0372      2.00000
      3       1.7657      2.00000
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     10      16.3441      0.00000
     11      19.3671      0.00000
     12      20.5469      0.00000
     13      21.9378      0.00000
     14      22.3286      0.00000
     15      23.4990      0.00000
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 k-point   119 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.9234      2.00000
      2      -1.5426      2.00000
      3       2.0772      2.00000
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     10      16.5662      0.00000
     11      19.2714      0.00000
     12      20.0702      0.00000
     13      21.8342      0.00000
     14      22.5568      0.00000
     15      22.9777      0.00000
     16      23.3682      0.00000

 k-point   120 :      -0.4545   -0.3636   -0.9091
  band No.  band energies     occupation 
      1      -2.4559      2.00000
      2      -1.0683      2.00000
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     10      17.5904      0.00000
     11      18.3095      0.00000
     12      19.8455      0.00000
     13      20.1684      0.00000
     14      21.6447      0.00000
     15      22.7951      0.00000
     16      24.3398      0.00000

 k-point   121 :      -0.1818   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.9794      2.00000
      2       0.6082      2.00000
      3       2.8937      2.00000
      4       3.8503      2.00000
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     10      16.9247      0.00000
     11      18.1823      0.00000
     12      18.7069      0.00000
     13      20.3837      0.00000
     14      21.0533      0.00000
     15      22.6337      0.00000
     16      24.4675      0.00000

 k-point   122 :       0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5492      2.00000
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     10      15.0581      0.00000
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     14      21.4294      0.00000
     15      23.0775      0.00000
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 k-point   123 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1236      2.00000
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     10      15.9870      0.00000
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 k-point   124 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5312      2.00000
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 k-point   125 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.8540      2.00000
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 k-point   126 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
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 k-point   127 :       0.5455   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9562      2.00000
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      3       2.2874      2.00000
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     14      21.3940      0.00000
     15      23.3057      0.00000
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 k-point   128 :      -0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6488      2.00000
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     10      17.5271      0.00000
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     14      20.9888      0.00000
     15      22.4727      0.00000
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 k-point   129 :       0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
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      3       4.8625      2.00000
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     14      21.2843      0.00000
     15      23.3550      0.00000
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 k-point   130 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
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     15      22.2641      0.00000
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 k-point   131 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
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     16      25.1082      0.00000

 k-point   132 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5405      2.00000
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      3       2.2136      2.00000
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     14      21.3997      0.00000
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 k-point   133 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.0273      2.00000
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      3       2.2303      2.00000
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     15      23.6265      0.00000
     16      24.6380      0.00000

 k-point   134 :       0.5455   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.3038      2.00000
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      3       2.4677      2.00000
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     13      20.1950      0.00000
     14      22.6753      0.00000
     15      24.1968      0.00000
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 k-point   135 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.9901      2.00000
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      3       2.8575      2.00000
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     13      20.3850      0.00000
     14      21.0347      0.00000
     15      22.6312      0.00000
     16      24.4784      0.00000

 k-point   136 :      -0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.6189      2.00000
      2       1.7749      2.00000
      3       3.4406      2.00000
      4       4.1487      2.00000
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     10      16.2999      0.00000
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     13      20.0109      0.00000
     14      21.5354      0.00000
     15      21.6574      0.00000
     16      23.9193      0.00000

 k-point   137 :       0.0909   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6534      2.00000
      2       3.8747      2.00000
      3       5.1911      2.00000
      4       5.3158      2.00000
      5       8.3548      0.00000
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     14      19.4650      0.00000
     15      23.9908      0.00000
     16      25.7512      0.00000

 k-point   138 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3286      2.00000
      2       3.0307      2.00000
      3       4.1774      2.00000
      4       5.2288      2.00000
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     11      16.4251      0.00000
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 k-point   139 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8053      2.00000
      2       1.6933      2.00000
      3       3.6034      2.00000
      4       4.8975      2.00000
      5       8.7151      0.00000
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     10      16.1478      0.00000
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     15      22.2257      0.00000
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 k-point   140 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1336      2.00000
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      3       3.3535      2.00000
      4       4.5355      2.00000
      5       8.7680      0.00000
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     10      15.9912      0.00000
     11      17.9360      0.00000
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     13      20.4813      0.00000
     14      21.5821      0.00000
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 k-point   141 :      -0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5071      2.00000
      2      -0.6774      2.00000
      3       3.2639      2.00000
      4       4.3059      2.00000
      5       8.7789      0.00000
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     10      16.0290      0.00000
     11      17.3593      0.00000
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     14      21.7083      0.00000
     15      24.0503      0.00000
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 k-point   142 :       0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.5098      2.00000
      2      -0.6713      2.00000
      3       3.2699      2.00000
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     10      16.0148      0.00000
     11      17.4035      0.00000
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     15      24.0393      0.00000
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 k-point   143 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1377      2.00000
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      3       3.3663      2.00000
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     10      16.0026      0.00000
     11      17.9758      0.00000
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     14      21.5454      0.00000
     15      23.1005      0.00000
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 k-point   144 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8086      2.00000
      2       1.7209      2.00000
      3       3.6129      2.00000
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     10      16.1916      0.00000
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     13      20.0620      0.00000
     14      21.6020      0.00000
     15      22.2476      0.00000
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 k-point   145 :      -0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3308      2.00000
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     11      16.4377      0.00000
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     14      20.8349      0.00000
     15      23.4626      0.00000
     16      25.1171      0.00000

 k-point   146 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4697      2.00000
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     10      14.4521      0.00000
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     13      18.4468      0.00000
     14      19.0072      0.00000
     15      25.1494      0.00000
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 k-point   147 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
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     12      18.3531      0.00000
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     14      20.6010      0.00000
     15      23.3094      0.00000
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 k-point   148 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.4922      2.00000
      2       1.1902      2.00000
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     10      16.0369      0.00000
     11      16.7090      0.00000
     12      19.5665      0.00000
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     14      21.3804      0.00000
     15      22.2934      0.00000
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 k-point   149 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.7987      2.00000
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     10      17.0039      0.00000
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     12      17.9240      0.00000
     13      19.0469      0.00000
     14      22.4375      0.00000
     15      24.0377      0.00000
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 k-point   150 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
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      2      -0.7928      2.00000
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     10      15.6729      0.00000
     11      17.7311      0.00000
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     14      22.1079      0.00000
     15      25.0657      0.00000
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 k-point   151 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.6020      2.00000
      2      -0.3639      2.00000
      3       2.7643      2.00000
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     10      14.8721      0.00000
     11      17.5601      0.00000
     12      20.1953      0.00000
     13      21.0101      0.00000
     14      21.3908      0.00000
     15      22.7612      0.00000
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 k-point   152 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2869      2.00000
      2       0.7891      2.00000
      3       2.8295      2.00000
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     10      16.3279      0.00000
     11      18.1552      0.00000
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     13      20.1404      0.00000
     14      22.2253      0.00000
     15      22.9074      0.00000
     16      24.0487      0.00000

 k-point   153 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9147      2.00000
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      3       3.3040      2.00000
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     10      16.2971      0.00000
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     12      17.7829      0.00000
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     14      21.3198      0.00000
     15      22.7844      0.00000
     16      24.9832      0.00000

 k-point   154 :       0.1818    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.9052      2.00000
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      3       3.3213      2.00000
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     10      16.1937      0.00000
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     12      17.8587      0.00000
     13      19.9888      0.00000
     14      21.2229      0.00000
     15      22.7602      0.00000
     16      24.9624      0.00000

 k-point   155 :       0.1818    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2696      2.00000
      2       0.7051      2.00000
      3       2.8259      2.00000
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     13      20.1417      0.00000
     14      22.2473      0.00000
     15      22.9409      0.00000
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 k-point   156 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2216      2.00000
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      3       2.6070      2.00000
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     14      22.1022      0.00000
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     16      25.0794      0.00000

 k-point   157 :      -0.1818   -0.5455    0.1818
  band No.  band energies     occupation 
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     15      23.2518      0.00000
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 k-point   158 :       0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5707      2.00000
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 k-point   159 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
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 k-point   160 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
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 k-point   161 :       0.1818    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.2720      2.00000
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     15      25.0692      0.00000
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 k-point   162 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -2.9904      2.00000
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 k-point   163 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6455      2.00000
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 k-point   164 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.2294      2.00000
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 k-point   165 :       0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.7838      2.00000
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 k-point   166 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.2795      2.00000
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 k-point   167 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.6566      2.00000
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 k-point   168 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.0434      2.00000
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      3       1.8328      2.00000
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 k-point   169 :      -0.4545   -0.2727   -0.8182
  band No.  band energies     occupation 
      1      -2.2721      2.00000
      2      -1.0928      2.00000
      3       2.1337      2.00000
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     10      17.3273      0.00000
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     14      22.7873      0.00000
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 k-point   170 :       0.1818   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4878      2.00000
      2       1.1655      2.00000
      3       3.7192      2.00000
      4       4.1845      2.00000
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 k-point   171 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.9803      2.00000
      2       0.6195      2.00000
      3       2.8546      2.00000
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 k-point   172 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3222      2.00000
      2      -0.0578      2.00000
      3       2.1791      2.00000
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     10      15.7285      0.00000
     11      19.7498      0.00000
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     14      20.8564      0.00000
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 k-point   173 :      -0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6789      2.00000
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      3       1.8968      2.00000
      4       3.0356      2.00000
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     10      16.8752      0.00000
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 k-point   174 :       0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6891      2.00000
      2      -0.7358      2.00000
      3       1.8976      2.00000
      4       3.0226      2.00000
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     10      16.8841      0.00000
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 k-point   175 :      -0.3636   -0.1818   -0.8182
  band No.  band energies     occupation 
      1      -3.3352      2.00000
      2      -0.0158      2.00000
      3       2.1796      2.00000
      4       3.3466      2.00000
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     11      19.7144      0.00000
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     15      23.0355      0.00000
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 k-point   176 :       0.1818   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.0739      2.00000
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      3       4.2528      2.00000
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     10      14.7828      0.00000
     11      17.0027      0.00000
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 k-point   177 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.6152      2.00000
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      3       3.4457      2.00000
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 k-point   178 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.9848      2.00000
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 k-point   179 :      -0.5455   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.2992      2.00000
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     10      16.8835      0.00000
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     14      22.7062      0.00000
     15      24.2070      0.00000
     16      24.8251      0.00000

 k-point   180 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.0323      2.00000
      2      -0.7362      2.00000
      3       2.2501      2.00000
      4       3.7623      2.00000
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      9      13.4255      0.00000
     10      16.2011      0.00000
     11      18.3810      0.00000
     12      19.3006      0.00000
     13      22.0291      0.00000
     14      22.4787      0.00000
     15      23.6284      0.00000
     16      24.6169      0.00000

 k-point   181 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5501      2.00000
      2      -0.0189      2.00000
      3       2.2245      2.00000
      4       4.0617      2.00000
      5       8.8822      0.00000
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      7      11.6901      0.00000
      8      12.3241      0.00000
      9      14.6619      0.00000
     10      14.9882      0.00000
     11      18.5696      0.00000
     12      20.4860      0.00000
     13      20.8321      0.00000
     14      21.3719      0.00000
     15      23.8620      0.00000
     16      24.1769      0.00000

 k-point   182 :      -0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.2380      2.00000
      2       0.9934      2.00000
      3       2.5953      2.00000
      4       4.4834      2.00000
      5       9.3523      0.00000
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      7      10.7545      0.00000
      8      11.8823      0.00000
      9      13.7130      0.00000
     10      16.7136      0.00000
     11      18.3276      0.00000
     12      18.6313      0.00000
     13      19.7618      0.00000
     14      22.0738      0.00000
     15      22.4743      0.00000
     16      25.1384      0.00000

 k-point   183 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7465      2.00000
      2       2.1363      2.00000
      3       3.9327      2.00000
      4       3.9949      2.00000
      5       7.0357      0.00000
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      9      14.8511      0.00000
     10      15.2630      0.00000
     11      18.1412      0.00000
     12      19.3912      0.00000
     13      19.4968      0.00000
     14      20.2471      0.00000
     15      23.2359      0.00000
     16      23.2626      0.00000

 k-point   184 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2223      2.00000
      2       1.1627      2.00000
      3       3.4415      2.00000
      4       3.6983      2.00000
      5       7.1527      0.00000
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      7      12.6222      0.00000
      8      12.7699      0.00000
      9      16.0343      0.00000
     10      16.3216      0.00000
     11      18.3124      0.00000
     12      19.5744      0.00000
     13      20.0216      0.00000
     14      21.0342      0.00000
     15      22.1013      0.00000
     16      23.0593      0.00000

 k-point   185 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5498      2.00000
      2       0.1137      2.00000
      3       2.6924      2.00000
      4       3.6367      2.00000
      5       7.3275      0.00000
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      9      17.2568      0.00000
     10      17.4264      0.00000
     11      17.8628      0.00000
     12      18.2670      0.00000
     13      19.9167      0.00000
     14      21.9224      0.00000
     15      23.0457      0.00000
     16      24.6787      0.00000

 k-point   186 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9271      2.00000
      2      -0.6968      2.00000
      3       2.0991      2.00000
      4       3.7514      2.00000
      5       7.4621      0.00000
      6      10.8657      0.00000
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      9      15.7209      0.00000
     10      15.7358      0.00000
     11      19.3334      0.00000
     12      19.3513      0.00000
     13      20.1601      0.00000
     14      23.9335      0.00000
     15      23.9374      0.00000
     16      24.5022      0.00000

 k-point   187 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9893      2.00000
      2      -0.6005      2.00000
      3       1.7943      2.00000
      4       4.0301      2.00000
      5       7.7630      0.00000
      6      11.9431      0.00000
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      9      13.9000      0.00000
     10      14.0342      0.00000
     11      19.2654      0.00000
     12      21.3752      0.00000
     13      21.5509      0.00000
     14      22.3098      0.00000
     15      23.0060      0.00000
     16      24.1506      0.00000

 k-point   188 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6351      2.00000
      2       0.1832      2.00000
      3       1.9450      2.00000
      4       4.4380      2.00000
      5       8.2291      0.00000
      6      11.3670      0.00000
      7      11.6526      0.00000
      8      12.6586      0.00000
      9      12.7506      0.00000
     10      14.9149      0.00000
     11      19.2114      0.00000
     12      19.9702      0.00000
     13      20.6426      0.00000
     14      22.9751      0.00000
     15      23.4517      0.00000
     16      23.7988      0.00000

 k-point   189 :       0.2727    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.6065      2.00000
      2       0.0866      2.00000
      3       1.9471      2.00000
      4       4.5173      2.00000
      5       8.3080      0.00000
      6      11.2839      0.00000
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      8      12.6142      0.00000
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     10      14.8846      0.00000
     11      19.3074      0.00000
     12      19.9103      0.00000
     13      20.5311      0.00000
     14      23.0409      0.00000
     15      23.3527      0.00000
     16      23.8531      0.00000

 k-point   190 :       0.2727    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9435      2.00000
      2      -0.6918      2.00000
      3       1.7755      2.00000
      4       4.0989      2.00000
      5       7.8400      0.00000
      6      11.8850      0.00000
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      8      12.9049      0.00000
      9      13.9166      0.00000
     10      14.0420      0.00000
     11      19.2919      0.00000
     12      21.4138      0.00000
     13      21.5461      0.00000
     14      22.2837      0.00000
     15      22.8659      0.00000
     16      24.1281      0.00000

 k-point   191 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.8306      2.00000
      2      -0.6473      2.00000
      3       1.6431      2.00000
      4       3.6643      2.00000
      5       8.4413      0.00000
      6      11.1557      0.00000
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      9      13.8010      0.00000
     10      14.9548      0.00000
     11      20.4313      0.00000
     12      20.8713      0.00000
     13      20.8789      0.00000
     14      22.8476      0.00000
     15      22.9164      0.00000
     16      24.0027      0.00000

 k-point   192 :       0.2727    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.8942      2.00000
      2      -0.7557      2.00000
      3       2.0616      2.00000
      4       3.8138      2.00000
      5       7.5375      0.00000
      6      10.7867      0.00000
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      9      15.7204      0.00000
     10      15.7569      0.00000
     11      19.3329      0.00000
     12      19.3807      0.00000
     13      20.1347      0.00000
     14      23.8966      0.00000
     15      23.9468      0.00000
     16      24.4922      0.00000

 k-point   193 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.4314      2.00000
      2      -1.0468      2.00000
      3       1.7402      2.00000
      4       3.3280      2.00000
      5       8.0550      0.00000
      6      10.6924      0.00000
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     10      16.3391      0.00000
     11      19.3786      0.00000
     12      20.5462      0.00000
     13      21.9041      0.00000
     14      22.3951      0.00000
     15      23.5132      0.00000
     16      24.5926      0.00000

 k-point   194 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.0078      2.00000
      2      -1.3381      2.00000
      3       1.8149      2.00000
      4       2.5816      2.00000
      5       9.4443      0.00000
      6      10.6391      0.00000
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     10      16.9674      0.00000
     11      19.0232      0.00000
     12      20.2343      0.00000
     13      21.9516      0.00000
     14      22.9086      0.00000
     15      24.4998      0.00000
     16      24.5106      0.00000

 k-point   195 :       0.2727   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5413      2.00000
      2       0.0931      2.00000
      3       2.6418      2.00000
      4       3.6960      2.00000
      5       7.3979      0.00000
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     10      17.3789      0.00000
     11      17.9220      0.00000
     12      18.2201      0.00000
     13      19.9153      0.00000
     14      21.9330      0.00000
     15      22.9522      0.00000
     16      24.7016      0.00000

 k-point   196 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.9389      2.00000
      2      -0.5020      2.00000
      3       2.2743      2.00000
      4       3.2029      2.00000
      5       7.8328      0.00000
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     10      17.4275      0.00000
     11      18.3235      0.00000
     12      20.1729      0.00000
     13      20.7724      0.00000
     14      21.4116      0.00000
     15      23.3522      0.00000
     16      23.9529      0.00000

 k-point   197 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.2521      2.00000
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      3       2.1231      2.00000
      4       2.5167      2.00000
      5       9.0509      0.00000
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     10      17.3283      0.00000
     11      18.7053      0.00000
     12      20.0597      0.00000
     13      21.8519      0.00000
     14      22.7246      0.00000
     15      23.2333      0.00000
     16      24.5191      0.00000

 k-point   198 :      -0.4545   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.0760      2.00000
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      3       1.8518      2.00000
      4       2.5252      2.00000
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      9      15.8716      0.00000
     10      16.9649      0.00000
     11      19.0334      0.00000
     12      20.2236      0.00000
     13      21.8450      0.00000
     14      22.9804      0.00000
     15      24.5301      0.00000
     16      24.5840      0.00000

 k-point   199 :       0.2727   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2210      2.00000
      2       1.1580      2.00000
      3       3.3836      2.00000
      4       3.7575      2.00000
      5       7.1843      0.00000
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     10      16.3197      0.00000
     11      18.3521      0.00000
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     13      20.0385      0.00000
     14      21.0408      0.00000
     15      22.0538      0.00000
     16      23.0736      0.00000

 k-point   200 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6430      2.00000
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      3       2.9586      2.00000
      4       3.3629      2.00000
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     10      17.4963      0.00000
     11      18.1582      0.00000
     12      19.4720      0.00000
     13      20.3942      0.00000
     14      21.0114      0.00000
     15      22.4696      0.00000
     16      23.1197      0.00000

 k-point   201 :      -0.5455   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9498      2.00000
      2      -0.4829      2.00000
      3       2.3181      2.00000
      4       3.1520      2.00000
      5       7.7645      0.00000
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     10      17.4203      0.00000
     11      18.3043      0.00000
     12      20.2089      0.00000
     13      20.7570      0.00000
     14      21.4067      0.00000
     15      23.3591      0.00000
     16      23.9581      0.00000

 k-point   202 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.4821      2.00000
      2      -0.9712      2.00000
      3       1.7754      2.00000
      4       3.2673      2.00000
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     10      16.3334      0.00000
     11      19.3753      0.00000
     12      20.5102      0.00000
     13      21.9704      0.00000
     14      22.3426      0.00000
     15      23.5159      0.00000
     16      24.5658      0.00000

 k-point   203 :      -0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.8768      2.00000
      2      -0.5531      2.00000
      3       1.6577      2.00000
      4       3.5962      2.00000
      5       8.3640      0.00000
      6      11.2021      0.00000
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     10      14.9611      0.00000
     11      20.3339      0.00000
     12      20.8570      0.00000
     13      20.9325      0.00000
     14      22.9355      0.00000
     15      22.9479      0.00000
     16      24.0735      0.00000

 k-point   204 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7558      2.00000
      2       0.4881      2.00000
      3       3.4198      2.00000
      4       3.4748      2.00000
      5       6.6637      0.00000
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     10      16.8329      0.00000
     11      19.3752      0.00000
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     13      19.8173      0.00000
     14      21.6581      0.00000
     15      21.9256      0.00000
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 k-point   205 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1211      2.00000
      2      -0.3407      2.00000
      3       2.9207      2.00000
      4       3.3133      2.00000
      5       6.8449      0.00000
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     10      17.7944      0.00000
     11      17.9586      0.00000
     12      18.4138      0.00000
     13      20.8898      0.00000
     14      21.3148      0.00000
     15      21.9511      0.00000
     16      24.1052      0.00000

 k-point   206 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4406      2.00000
      2      -1.0573      2.00000
      3       2.1122      2.00000
      4       3.3878      2.00000
      5       7.0031      0.00000
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      7      14.0347      0.00000
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     10      15.9975      0.00000
     11      19.4790      0.00000
     12      20.1491      0.00000
     13      21.5192      0.00000
     14      21.6129      0.00000
     15      22.3037      0.00000
     16      24.4104      0.00000

 k-point   207 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3861      2.00000
      2      -1.0686      2.00000
      3       1.6033      2.00000
      4       3.6360      2.00000
      5       7.2889      0.00000
      6      10.7105      0.00000
      7      13.3874      0.00000
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     10      14.3342      0.00000
     11      21.0931      0.00000
     12      21.2905      0.00000
     13      21.8371      0.00000
     14      21.9189      0.00000
     15      22.1132      0.00000
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 k-point   208 :       0.3636    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.3169      2.00000
      2      -1.1638      2.00000
      3       1.5682      2.00000
      4       3.6964      2.00000
      5       7.3632      0.00000
      6      10.6363      0.00000
      7      13.3111      0.00000
      8      13.9318      0.00000
      9      14.2312      0.00000
     10      14.3812      0.00000
     11      21.1263      0.00000
     12      21.3749      0.00000
     13      21.8051      0.00000
     14      21.8648      0.00000
     15      22.0441      0.00000
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 k-point   209 :       0.3636    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.4116      2.00000
      2      -1.0950      2.00000
      3       2.0620      2.00000
      4       3.4436      2.00000
      5       7.0755      0.00000
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      7      13.9997      0.00000
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      9      15.9460      0.00000
     10      16.0143      0.00000
     11      19.5053      0.00000
     12      20.0788      0.00000
     13      21.5586      0.00000
     14      21.5911      0.00000
     15      22.3722      0.00000
     16      24.3980      0.00000

 k-point   210 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.8787      2.00000
      2      -1.5900      2.00000
      3       2.0515      2.00000
      4       2.9905      2.00000
      5       7.6954      0.00000
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      7      13.6085      0.00000
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      9      15.9336      0.00000
     10      16.5715      0.00000
     11      19.2716      0.00000
     12      20.0588      0.00000
     13      21.8382      0.00000
     14      22.5873      0.00000
     15      23.0140      0.00000
     16      23.3255      0.00000

 k-point   211 :       0.3636   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.1180      2.00000
      2      -0.3454      2.00000
      3       2.8660      2.00000
      4       3.3674      2.00000
      5       6.8968      0.00000
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      7      14.3115      0.00000
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      9      17.5841      0.00000
     10      17.8638      0.00000
     11      17.9637      0.00000
     12      18.3445      0.00000
     13      20.9135      0.00000
     14      21.2951      0.00000
     15      21.9615      0.00000
     16      24.0601      0.00000

 k-point   212 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4473      2.00000
      2      -1.0824      2.00000
      3       2.7582      2.00000
      4       2.8929      2.00000
      5       7.3716      0.00000
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     10      17.5960      0.00000
     11      18.3041      0.00000
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     13      20.1313      0.00000
     14      21.6989      0.00000
     15      22.8316      0.00000
     16      24.3099      0.00000

 k-point   213 :      -0.4545   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -1.9654      2.00000
      2      -1.4963      2.00000
      3       2.1022      2.00000
      4       2.9339      2.00000
      5       7.6244      0.00000
      6       8.9714      0.00000
      7      13.6313      0.00000
      8      13.8475      0.00000
      9      15.9332      0.00000
     10      16.5591      0.00000
     11      19.2715      0.00000
     12      20.0802      0.00000
     13      21.8391      0.00000
     14      22.5269      0.00000
     15      22.9420      0.00000
     16      23.4072      0.00000

 k-point   214 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5243      2.00000
      2      -1.0877      2.00000
      3       3.1574      2.00000
      4       3.2094      2.00000
      5       6.6101      0.00000
      6       6.9417      0.00000
      7      15.7458      0.00000
      8      15.7522      0.00000
      9      17.7510      0.00000
     10      17.7565      0.00000
     11      17.8395      0.00000
     12      18.6476      0.00000
     13      19.6029      0.00000
     14      19.9737      0.00000
     15      24.0557      0.00000
     16      24.9003      0.00000

 k-point   215 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.9065      2.00000
      2      -1.7011      2.00000
      3       2.7499      2.00000
      4       3.1831      2.00000
      5       6.7589      0.00000
      6       7.4311      0.00000
      7      15.7145      0.00000
      8      15.9902      0.00000
      9      16.3282      0.00000
     10      16.4256      0.00000
     11      19.2792      0.00000
     12      19.4791      0.00000
     13      19.8567      0.00000
     14      20.2407      0.00000
     15      24.0976      0.00000
     16      24.5077      0.00000

 k-point   216 :       0.4545    0.9091    0.4545
  band No.  band energies     occupation 
      1      -1.8129      2.00000
      2      -1.7960      2.00000
      3       2.6965      2.00000
      4       3.2356      2.00000
      5       6.8304      0.00000
      6       7.3621      0.00000
      7      15.6664      0.00000
      8      15.9903      0.00000
      9      16.3529      0.00000
     10      16.4644      0.00000
     11      19.3631      0.00000
     12      19.3950      0.00000
     13      19.7082      0.00000
     14      20.3817      0.00000
     15      24.1928      0.00000
     16      24.4267      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.001   0.006  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   4.176   0.000  -0.000  -0.005  -0.000   0.000
  0.000  -0.000   0.000   4.176  -0.000  -0.000  -0.005   0.000
  0.000  -0.000  -0.000  -0.000   4.176   0.000   0.000  -0.005
 -0.000   0.000  -0.005  -0.000   0.000   0.005   0.000  -0.000
 -0.000   0.000  -0.000  -0.005   0.000   0.000   0.005   0.000
 -0.000   0.000   0.000   0.000  -0.005  -0.000   0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821  -0.000   0.000   0.003  -0.000   0.000  -0.005
 -0.821   0.831   0.000  -0.000  -0.007  -0.000   0.000   0.007
 -0.000   0.000   1.046   0.005  -0.000  -0.589  -0.007   0.000
  0.000  -0.000   0.005   1.046   0.000  -0.007  -0.589  -0.000
  0.003  -0.007  -0.000   0.000   1.046   0.000  -0.000  -0.589
  0.000  -0.000  -0.589  -0.007   0.000   0.391   0.007  -0.000
  0.000   0.000  -0.007  -0.589  -0.000   0.007   0.391   0.000
 -0.005   0.007   0.000  -0.000  -0.589  -0.000   0.000   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0320: real time    0.0332
    FORLOC:  cpu time    0.0010: real time    0.0002
    FORNL :  cpu time    0.0140: real time    0.0144
    STRESS:  cpu time    0.2220: real time    0.2222
    FORCOR:  cpu time    0.0040: real time    0.0039
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.77295   -76.75573   -76.75573     0.00000     1.19668    -0.00000
  Hartree     4.88313     4.88403     4.88403     0.00000     0.12943     0.00000
  E(xc)     -25.50507   -25.50534   -25.50534    -0.00000    -0.01109    -0.00000
  Local     -28.91960   -28.93735   -28.93735     0.00001    -1.24742     0.00001
  n-local    78.30727    76.39607    80.22960    -0.06975     0.25819     2.00029
  augment   -11.66290   -11.66319   -11.66319    -0.00001    -0.01146    -0.00001
  Kinetic    57.26176    57.03861    57.48231     0.17797    -0.14964     2.51063
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.03245     1.03654     1.03654     0.00000     0.16473    -0.00000
  in kB      42.26976    42.43722    42.43722     0.00000     6.74410    -0.00000
  external pressure =       42.38 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.185550789  0.185550789  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.185550789  0.185550789

  length of vectors
     3.810853002  3.810853002  3.810853002     0.321383394  0.321383394  0.321383394


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.371E+00 0.170E-06 0.143E-06   -.370E+00 -.427E-15 -.985E-15   -.214E+00 -.564E-16 0.241E-16   -.557E-05 -.319E-05 0.101E-07
   -.371E+00 -.136E-06 -.116E-06   0.370E+00 0.107E-15 0.108E-14   0.214E+00 0.598E-16 -.471E-16   0.369E-05 0.319E-05 0.153E-07
 -----------------------------------------------------------------------------------------------
   -.249E-06 0.343E-07 0.272E-07   0.777E-15 -.320E-15 0.939E-16   -.833E-16 0.333E-17 -.230E-16   -.188E-05 -.253E-08 0.254E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.01500     -0.00000     -0.00000        -0.213188     -0.000000     -0.000000
      1.34734      1.34734      1.34734         0.213188      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000000      0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82329601 eV

  energy  without entropy=      -10.82329601  energy(sigma->0) =      -10.82329601
 
 d Force =-0.1598908E-02[-0.320E-02, 0.494E-16]  d Energy = 0.1492025E-02-0.309E-02
 d Force =-0.2773866E-02[-0.555E-02, 0.412E-15]  d Ewald  = 0.6941030E-02-0.971E-02


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0060: real time    0.0055


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   7/  7
  Displacement:        1/  2
  Total:              13/ 14
  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.3893600000
  
  Lattice vectors:
  
 A1 = (   2.6946800000,   2.6946800000,   0.0000000000)
 A2 = (   0.0000000000,   2.6946800000,   2.6946800000)
 A3 = (   2.6946800000,   0.0000000000,   2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry C_2v.
 The point group associated with its full space group is D_2h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry C_2v.
 The point group associated with its full space group is D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000   180.000000     0.000000    -0.707107    -0.707107     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
    5    -1.000000     0.000000     1.000000     0.000000     0.000000     0.247217     0.252783     0.247217
    6     1.000000   180.000000     0.000000    -0.707107    -0.707107     0.247217     0.252783     0.247217
    7    -1.000000   180.000000     1.000000     0.000000     0.000000     0.247217     0.252783     0.247217
    8     1.000000   180.000000     0.000000    -0.707107     0.707107     0.247217     0.252783     0.247217
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    216 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      4.000000
  0.181818 -0.000000 -0.000000      4.000000
  0.272727  0.000000  0.000000      4.000000
  0.363636 -0.000000 -0.000000      4.000000
  0.454545 -0.000000 -0.000000      4.000000
 -0.000000  0.090909  0.000000      4.000000
  0.090909  0.090909  0.000000      4.000000
  0.181818  0.090909  0.000000      8.000000
  0.272727  0.090909 -0.000000      8.000000
  0.363636  0.090909  0.000000      8.000000
  0.454545  0.090909 -0.000000      8.000000
 -0.454545  0.090909 -0.000000      8.000000
 -0.363636  0.090909 -0.000000      8.000000
 -0.272727  0.090909  0.000000      8.000000
 -0.181818  0.090909 -0.000000      8.000000
 -0.090909  0.090909 -0.000000      8.000000
 -0.000000  0.181818  0.000000      4.000000
  0.090909  0.181818  0.000000      8.000000
  0.181818  0.181818  0.000000      4.000000
  0.272727  0.181818  0.000000      8.000000
  0.363636  0.181818  0.000000      8.000000
  0.454545  0.181818  0.000000      8.000000
 -0.454545  0.181818 -0.000000      8.000000
 -0.363636  0.181818 -0.000000      8.000000
 -0.272727  0.181818 -0.000000      8.000000
 -0.181818  0.181818 -0.000000      8.000000
 -0.090909  0.181818  0.000000      8.000000
 -0.000000  0.272727  0.000000      4.000000
  0.090909  0.272727  0.000000      8.000000
  0.181818  0.272727  0.000000      8.000000
  0.272727  0.272727  0.000000      4.000000
  0.363636  0.272727  0.000000      8.000000
  0.454545  0.272727  0.000000      8.000000
 -0.454545  0.272727  0.000000      8.000000
 -0.363636  0.272727  0.000000      8.000000
 -0.272727  0.272727  0.000000      8.000000
 -0.181818  0.272727  0.000000      8.000000
 -0.090909  0.272727  0.000000      8.000000
 -0.000000  0.363636  0.000000      4.000000
  0.090909  0.363636  0.000000      8.000000
  0.181818  0.363636  0.000000      8.000000
  0.272727  0.363636  0.000000      8.000000
  0.363636  0.363636  0.000000      4.000000
  0.454545  0.363636  0.000000      8.000000
 -0.454545  0.363636  0.000000      8.000000
 -0.363636  0.363636 -0.000000      8.000000
 -0.272727  0.363636  0.000000      8.000000
 -0.181818  0.363636  0.000000      8.000000
 -0.090909  0.363636  0.000000      8.000000
 -0.000000  0.454545  0.000000      4.000000
  0.090909  0.454545  0.000000      8.000000
  0.181818  0.454545  0.000000      8.000000
  0.272727  0.454545  0.000000      8.000000
  0.363636  0.454545  0.000000      8.000000
  0.454545  0.454545  0.000000      4.000000
 -0.454545  0.454545  0.000000      8.000000
 -0.363636  0.454545  0.000000      8.000000
 -0.272727  0.454545 -0.000000      8.000000
 -0.181818  0.454545  0.000000      8.000000
 -0.090909  0.454545  0.000000      8.000000
  0.090909  0.000000  0.090909      2.000000
  0.181818 -0.000000  0.090909      4.000000
  0.272727  0.000000  0.090909      4.000000
  0.363636 -0.000000  0.090909      4.000000
  0.454545 -0.000000  0.090909      4.000000
 -0.454545 -0.000000  0.090909      4.000000
 -0.363636  0.000000  0.090909      4.000000
 -0.272727 -0.000000  0.090909      4.000000
 -0.181818  0.000000  0.090909      4.000000
 -0.090909  0.000000  0.090909      2.000000
  0.090909  0.181818  0.090909      2.000000
  0.272727  0.181818  0.090909      8.000000
  0.363636  0.181818  0.090909      8.000000
  0.454545  0.181818  0.090909      8.000000
 -0.454545  0.181818  0.090909      8.000000
  0.090909  0.272727  0.090909      4.000000
  0.181818  0.272727  0.090909      4.000000
  0.363636  0.272727  0.090909      8.000000
  0.454545  0.272727  0.090909      8.000000
 -0.454545  0.272727  0.090909      8.000000
 -0.363636  0.272727  0.090909      8.000000
 -0.272727  0.272727  0.090909      8.000000
 -0.181818  0.272727  0.090909      8.000000
 -0.090909  0.272727  0.090909      8.000000
  0.090909  0.363636  0.090909      4.000000
  0.181818  0.363636  0.090909      8.000000
  0.272727  0.363636  0.090909      4.000000
  0.454545  0.363636  0.090909      8.000000
 -0.454545  0.363636  0.090909      8.000000
 -0.363636  0.363636  0.090909      8.000000
 -0.272727  0.363636  0.090909      8.000000
 -0.181818  0.363636  0.090909      8.000000
 -0.090909  0.363636  0.090909      8.000000
  0.090909  0.454545  0.090909      4.000000
  0.181818  0.454545  0.090909      8.000000
  0.272727  0.454545  0.090909      8.000000
  0.363636  0.454545  0.090909      4.000000
 -0.454545  0.454545  0.090909      8.000000
 -0.363636  0.454545  0.090909      8.000000
 -0.272727  0.454545  0.090909      8.000000
 -0.181818  0.454545  0.090909      8.000000
 -0.090909  0.454545  0.090909      8.000000
  0.090909 -0.454545  0.090909      4.000000
  0.181818 -0.454545  0.090909      8.000000
  0.272727 -0.454545  0.090909      8.000000
  0.363636 -0.454545  0.090909      8.000000
  0.454545 -0.454545  0.090909      4.000000
 -0.272727 -0.454545  0.090909      8.000000
 -0.181818 -0.454545  0.090909      8.000000
  0.090909 -0.363636  0.090909      4.000000
  0.181818 -0.363636  0.090909      8.000000
  0.272727 -0.363636  0.090909      8.000000
  0.363636 -0.363636  0.090909      8.000000
  0.454545 -0.363636  0.090909      8.000000
 -0.454545 -0.363636  0.090909      4.000000
 -0.181818 -0.363636  0.090909      8.000000
  0.090909 -0.272727  0.090909      4.000000
  0.181818 -0.272727  0.090909      8.000000
  0.272727 -0.272727  0.090909      8.000000
  0.363636 -0.272727  0.090909      8.000000
  0.454545 -0.272727  0.090909      8.000000
 -0.454545 -0.272727  0.090909      8.000000
 -0.363636 -0.272727  0.090909      4.000000
  0.090909 -0.181818  0.090909      4.000000
  0.181818 -0.181818  0.090909      8.000000
  0.272727 -0.181818  0.090909      8.000000
  0.363636 -0.181818  0.090909      8.000000
  0.454545 -0.181818  0.090909      8.000000
 -0.454545 -0.181818  0.090909      8.000000
 -0.363636 -0.181818  0.090909      8.000000
 -0.272727 -0.181818  0.090909      4.000000
  0.090909 -0.090909  0.090909      4.000000
  0.181818 -0.090909  0.090909      8.000000
  0.272727 -0.090909  0.090909      8.000000
  0.363636 -0.090909  0.090909      8.000000
  0.454545 -0.090909  0.090909      8.000000
 -0.454545 -0.090909  0.090909      8.000000
 -0.363636 -0.090909  0.090909      8.000000
 -0.272727 -0.090909  0.090909      8.000000
 -0.181818 -0.090909  0.090909      4.000000
  0.181818  0.000000  0.181818      2.000000
  0.272727  0.000000  0.181818      4.000000
  0.363636 -0.000000  0.181818      4.000000
  0.454545  0.000000  0.181818      4.000000
 -0.454545 -0.000000  0.181818      4.000000
 -0.363636  0.000000  0.181818      4.000000
 -0.272727 -0.000000  0.181818      4.000000
 -0.181818  0.000000  0.181818      2.000000
  0.181818  0.363636  0.181818      2.000000
 -0.454545  0.363636  0.181818      8.000000
 -0.363636  0.363636  0.181818      8.000000
  0.181818  0.454545  0.181818      4.000000
  0.272727  0.454545  0.181818      4.000000
 -0.363636  0.454545  0.181818      8.000000
 -0.272727  0.454545  0.181818      8.000000
 -0.181818  0.454545  0.181818      8.000000
  0.181818 -0.454545  0.181818      4.000000
  0.272727 -0.454545  0.181818      8.000000
  0.363636 -0.454545  0.181818      4.000000
  0.181818 -0.363636  0.181818      4.000000
  0.272727 -0.363636  0.181818      8.000000
  0.363636 -0.363636  0.181818      8.000000
  0.454545 -0.363636  0.181818      4.000000
  0.181818 -0.272727  0.181818      4.000000
  0.272727 -0.272727  0.181818      8.000000
  0.363636 -0.272727  0.181818      8.000000
  0.454545 -0.272727  0.181818      8.000000
 -0.454545 -0.272727  0.181818      4.000000
  0.181818 -0.181818  0.181818      4.000000
  0.272727 -0.181818  0.181818      8.000000
  0.363636 -0.181818  0.181818      8.000000
  0.454545 -0.181818  0.181818      8.000000
 -0.454545 -0.181818  0.181818      8.000000
 -0.363636 -0.181818  0.181818      4.000000
  0.181818 -0.090909  0.181818      4.000000
  0.272727 -0.090909  0.181818      8.000000
  0.363636 -0.090909  0.181818      8.000000
  0.454545 -0.090909  0.181818      8.000000
 -0.454545 -0.090909  0.181818      8.000000
 -0.363636 -0.090909  0.181818      8.000000
 -0.272727 -0.090909  0.181818      4.000000
  0.272727  0.000000  0.272727      2.000000
  0.363636  0.000000  0.272727      4.000000
  0.454545  0.000000  0.272727      4.000000
 -0.454545  0.000000  0.272727      4.000000
 -0.363636  0.000000  0.272727      4.000000
 -0.272727 -0.000000  0.272727      2.000000
  0.272727 -0.454545  0.272727      2.000000
  0.272727 -0.363636  0.272727      4.000000
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 Following cartesian coordinates:
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 -0.000000 -0.168683  0.168683      2.000000
  0.185551 -0.016868 -0.016868      2.000000
 
    WAVPRE:  cpu time    0.1050: real time    0.1094
    FEWALD:  cpu time    0.0000: real time    0.0001
    GENKIN:  cpu time    0.0340: real time    0.0348
    ORTHCH:  cpu time    0.1930: real time    0.1926
     LOOP+:  cpu time    6.3920: real time    6.4035


--------------------------------------- Iteration     15(   1)  ---------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0067
    SETDIJ:  cpu time    0.0020: real time    0.0014
    EDDIAG:  cpu time    0.3509: real time    0.3514
  RMM-DIIS:  cpu time    0.2700: real time    0.2696
    ORTHCH:  cpu time    0.1860: real time    0.1866
       DOS:  cpu time    0.0020: real time    0.0020
    CHARGE:  cpu time    0.0340: real time    0.0338
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8499: real time    0.8516

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) :-0.8279885E-04  (-0.6694196E-02)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595528 magnetization 

 Broyden mixing:
  rms(total) = 0.11738E-01    rms(broyden)= 0.11734E-01
  rms(prec ) = 0.29558E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65042206
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85695282
  PAW double counting   =        75.11387844      -40.17282079
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45516122
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82337871 eV

  energy without entropy =      -10.82337871  energy(sigma->0) =      -10.82337871


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0020: real time    0.0013
    EDDIAG:  cpu time    0.3499: real time    0.3499
  RMM-DIIS:  cpu time    0.3449: real time    0.3449
    ORTHCH:  cpu time    0.1860: real time    0.1860
       DOS:  cpu time    0.0020: real time    0.0020
    CHARGE:  cpu time    0.0330: real time    0.0332
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.9219: real time    0.9217

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) : 0.4162027E-04  (-0.5563448E-04)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595673 magnetization 

 Broyden mixing:
  rms(total) = 0.72217E-02    rms(broyden)= 0.72214E-02
  rms(prec ) = 0.18203E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5819
  2.5819

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65020892
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85696204
  PAW double counting   =        75.11334408      -40.17226509
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45497757
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82333709 eV

  energy without entropy =      -10.82333709  energy(sigma->0) =      -10.82333709


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   3)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.3499: real time    0.3492
  RMM-DIIS:  cpu time    0.3449: real time    0.3451
    ORTHCH:  cpu time    0.1850: real time    0.1855
       DOS:  cpu time    0.0020: real time    0.0020
    CHARGE:  cpu time    0.0330: real time    0.0332
    MIXING:  cpu time    0.0010: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.9209: real time    0.9206

 eigenvalue-minimisations  :  6912
 total energy-change (2. order) : 0.3930583E-04  (-0.6543972E-05)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595613 magnetization 

 Broyden mixing:
  rms(total) = 0.50712E-03    rms(broyden)= 0.50692E-03
  rms(prec ) = 0.19898E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1273
  1.6530  2.6016

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65140894
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85676377
  PAW double counting   =        75.11449869      -40.17346336
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45606228
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82329778 eV

  energy without entropy =      -10.82329778  energy(sigma->0) =      -10.82329778


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0040: real time    0.0042
    SETDIJ:  cpu time    0.0010: real time    0.0013
    EDDIAG:  cpu time    0.3489: real time    0.3488
  RMM-DIIS:  cpu time    0.3180: real time    0.3179
    ORTHCH:  cpu time    0.1850: real time    0.1858
       DOS:  cpu time    0.0030: real time    0.0021
    CHARGE:  cpu time    0.0330: real time    0.0332
    MIXING:  cpu time    0.0000: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    0.8929: real time    0.8934

 eigenvalue-minimisations  :  6875
 total energy-change (2. order) : 0.1746046E-05  (-0.3142442E-06)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595621 magnetization 

 Broyden mixing:
  rms(total) = 0.99238E-04    rms(broyden)= 0.99160E-04
  rms(prec ) = 0.36182E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8864
  0.9563  2.6721  2.0309

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65119995
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85678306
  PAW double counting   =        75.11389199      -40.17283510
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45585277
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82329603 eV

  energy without entropy =      -10.82329603  energy(sigma->0) =      -10.82329603


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0920: real time    0.2548
    SETDIJ:  cpu time    0.0030: real time    0.0030
    EDDIAG:  cpu time    0.3499: real time    0.3495
  RMM-DIIS:  cpu time    0.2070: real time    0.2071
    ORTHCH:  cpu time    0.1850: real time    0.1854
       DOS:  cpu time    0.0020: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time    0.8389: real time    1.0018

 eigenvalue-minimisations  :  4713
 total energy-change (2. order) : 0.3089812E-07  (-0.1138724E-07)
 number of electron       7.9999999 magnetization 
 augmentation part       -0.4595621 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.44082216
  Ewald energy   TEWEN  =      -230.28429899
  -Hartree energ DENC   =       -14.65120016
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.85678290
  PAW double counting   =        75.11388677      -40.17282971
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         7.45585268
  atomic energy  EATOM  =       206.13125414
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.82329600 eV

  energy without entropy =      -10.82329600  energy(sigma->0) =      -10.82329600


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -82.9892       2 -82.9892
 
 
 
 E-fermi :   6.1727     XC(G=0):  -9.4993     alpha+bet :-12.2577


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0567      2.00000
      2       5.9879      2.00000
      3       6.0617      2.00000
      4       6.1345      2.00000
      5       8.5946      0.00000
      6       8.6366      0.00000
      7       8.6801      0.00000
      8       9.7005      0.00000
      9      13.8037      0.00000
     10      13.8052      0.00000
     11      14.1119      0.00000
     12      17.3444      0.00000
     13      17.3942      0.00000
     14      17.4438      0.00000
     15      21.6157      0.00000
     16      29.4562      0.00000

 k-point     2 :       0.0909   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.9461      2.00000
      2       5.0367      2.00000
      3       5.8662      2.00000
      4       5.9552      2.00000
      5       8.7233      0.00000
      6       8.8537      0.00000
      7       8.9105      0.00000
      8      10.4306      0.00000
      9      13.4790      0.00000
     10      13.4792      0.00000
     11      14.5712      0.00000
     12      17.0518      0.00000
     13      18.0269      0.00000
     14      18.0892      0.00000
     15      22.3378      0.00000
     16      28.3088      0.00000

 k-point     3 :       0.1818   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -5.6181      2.00000
      2       3.3459      2.00000
      3       5.5162      2.00000
      4       5.5974      2.00000
      5       8.4433      0.00000
      6       9.3412      0.00000
      7       9.4065      0.00000
      8      11.9851      0.00000
      9      13.1027      0.00000
     10      13.1158      0.00000
     11      15.2947      0.00000
     12      16.9461      0.00000
     13      19.5547      0.00000
     14      19.6120      0.00000
     15      23.8879      0.00000
     16      25.8605      0.00000

 k-point     4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.0887      2.00000
      2       1.6588      2.00000
      3       5.1855      2.00000
      4       5.2631      2.00000
      5       8.1024      0.00000
      6       9.5799      0.00000
      7       9.6627      0.00000
      8      13.3880      0.00000
      9      13.4210      0.00000
     10      13.5165      0.00000
     11      15.0725      0.00000
     12      18.5782      0.00000
     13      21.1491      0.00000
     14      21.1888      0.00000
     15      23.6759      0.00000
     16      23.7117      0.00000

 k-point     5 :       0.3636   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -4.4074      2.00000
      2       0.1702      2.00000
      3       4.9493      2.00000
      4       5.0260      2.00000
      5       7.8434      0.00000
      6       9.4988      0.00000
      7       9.5882      0.00000
      8      14.0231      0.00000
      9      14.4778      0.00000
     10      14.5114      0.00000
     11      15.7561      0.00000
     12      20.2058      0.00000
     13      20.2407      0.00000
     14      20.3735      0.00000
     15      22.9632      0.00000
     16      24.4996      0.00000

 k-point     6 :       0.4545   -0.0000   -0.0000
  band No.  band energies     occupation 
      1      -3.7685      2.00000
      2      -0.8803      2.00000
      3       4.8291      2.00000
      4       4.9058      2.00000
      5       7.7086      0.00000
      6       9.3787      0.00000
      7       9.4691      0.00000
      8      13.8602      0.00000
      9      16.0434      0.00000
     10      16.0665      0.00000
     11      17.2028      0.00000
     12      18.1726      0.00000
     13      18.2264      0.00000
     14      19.7920      0.00000
     15      24.6115      0.00000
     16      26.8501      0.00000

 k-point     7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.9093      2.00000
      2       5.2636      2.00000
      3       5.5527      2.00000
      4       5.5661      2.00000
      5       8.3078      0.00000
      6       9.3255      0.00000
      7       9.3280      0.00000
      8      10.3997      0.00000
      9      12.9257      0.00000
     10      13.9657      0.00000
     11      14.7277      0.00000
     12      17.6443      0.00000
     13      17.6491      0.00000
     14      18.0204      0.00000
     15      22.6401      0.00000
     16      27.8749      0.00000

 k-point     8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -5.6529      2.00000
      2       3.8549      2.00000
      3       5.1412      2.00000
      4       5.3950      2.00000
      5       8.3495      0.00000
      6       9.4412      0.00000
      7       9.9450      0.00000
      8      11.1614      0.00000
      9      12.7761      0.00000
     10      13.9055      0.00000
     11      15.5485      0.00000
     12      17.2758      0.00000
     13      18.5234      0.00000
     14      19.4206      0.00000
     15      23.9967      0.00000
     16      25.7109      0.00000

 k-point     9 :       0.2727    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.1880      2.00000
      2       2.2073      2.00000
      3       4.8125      2.00000
      4       5.0112      2.00000
      5       8.5213      0.00000
      6       9.4018      0.00000
      7      10.3070      0.00000
      8      11.4482      0.00000
      9      13.9882      0.00000
     10      14.0937      0.00000
     11      15.7020      0.00000
     12      18.0995      0.00000
     13      20.0332      0.00000
     14      21.2428      0.00000
     15      23.3198      0.00000
     16      23.9855      0.00000

 k-point    10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.5478      2.00000
      2       0.6674      2.00000
      3       4.5895      2.00000
      4       4.6489      2.00000
      5       8.3939      0.00000
      6       9.3947      0.00000
      7      10.2227      0.00000
      8      12.2330      0.00000
      9      14.9998      0.00000
     10      15.0412      0.00000
     11      15.8653      0.00000
     12      19.7950      0.00000
     13      19.9220      0.00000
     14      21.4563      0.00000
     15      23.1028      0.00000
     16      23.6418      0.00000

 k-point    11 :       0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.8512      2.00000
      2      -0.5605      2.00000
      3       4.3002      2.00000
      4       4.5892      2.00000
      5       8.2623      0.00000
      6       9.3333      0.00000
      7       9.9682      0.00000
      8      13.5119      0.00000
      9      14.8800      0.00000
     10      16.4645      0.00000
     11      17.3991      0.00000
     12      17.9645      0.00000
     13      18.9228      0.00000
     14      21.2713      0.00000
     15      23.8075      0.00000
     16      25.2788      0.00000

 k-point    12 :      -0.4545    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -3.5661      2.00000
      2      -0.9786      2.00000
      3       4.1153      2.00000
      4       4.6930      2.00000
      5       8.2448      0.00000
      6       9.3807      0.00000
      7       9.7761      0.00000
      8      14.2174      0.00000
      9      15.4603      0.00000
     10      15.7630      0.00000
     11      17.2279      0.00000
     12      18.5407      0.00000
     13      18.9132      0.00000
     14      20.0718      0.00000
     15      25.2115      0.00000
     16      26.3890      0.00000

 k-point    13 :      -0.3636    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -4.0759      2.00000
      2      -0.1975      2.00000
      3       4.0735      2.00000
      4       4.9264      2.00000
      5       8.3541      0.00000
      6       9.5693      0.00000
      7       9.7088      0.00000
      8      13.9231      0.00000
      9      14.0858      0.00000
     10      15.3306      0.00000
     11      17.5016      0.00000
     12      18.1554      0.00000
     13      20.5809      0.00000
     14      20.9493      0.00000
     15      23.0441      0.00000
     16      24.4427      0.00000

 k-point    14 :      -0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -4.7793      2.00000
      2       1.1677      2.00000
      3       4.1917      2.00000
      4       5.2594      2.00000
      5       8.5765      0.00000
      6       9.6381      0.00000
      7       9.8179      0.00000
      8      12.8468      0.00000
      9      12.8900      0.00000
     10      15.4925      0.00000
     11      15.8336      0.00000
     12      19.0629      0.00000
     13      20.3556      0.00000
     14      22.1743      0.00000
     15      22.2524      0.00000
     16      24.0737      0.00000

 k-point    15 :      -0.1818    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.3667      2.00000
      2       2.7547      2.00000
      3       4.4865      2.00000
      4       5.6349      2.00000
      5       8.8727      0.00000
      6       9.3597      0.00000
      7       9.7140      0.00000
      8      12.0355      0.00000
      9      12.4230      0.00000
     10      14.3759      0.00000
     11      15.8591      0.00000
     12      17.5147      0.00000
     13      19.2827      0.00000
     14      21.1531      0.00000
     15      23.4275      0.00000
     16      24.7376      0.00000

 k-point    16 :      -0.0909    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.7634      2.00000
      2       4.2702      2.00000
      3       5.0376      2.00000
      4       5.9204      2.00000
      5       8.9330      0.00000
      6       9.0956      0.00000
      7       9.1280      0.00000
      8      11.2621      0.00000
      9      12.7800      0.00000
     10      13.6790      0.00000
     11      15.2313      0.00000
     12      17.2249      0.00000
     13      17.9527      0.00000
     14      19.4173      0.00000
     15      23.3432      0.00000
     16      25.9137      0.00000

 k-point    17 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.4697      2.00000
      2       3.7743      2.00000
      3       4.7012      2.00000
      4       4.7041      2.00000
      5       7.6446      0.00000
      6      10.2566      0.00000
      7      10.7089      0.00000
      8      10.7098      0.00000
      9      13.0342      0.00000
     10      14.4532      0.00000
     11      16.2360      0.00000
     12      18.3931      0.00000
     13      18.3949      0.00000
     14      19.0089      0.00000
     15      25.1495      0.00000
     16      25.4115      0.00000

 k-point    18 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -5.0729      2.00000
      2       2.5578      2.00000
      3       4.3119      2.00000
      4       4.3571      2.00000
      5       7.6951      0.00000
      6       9.7836      0.00000
      7      11.0148      0.00000
      8      11.3194      0.00000
      9      14.2960      0.00000
     10      14.7612      0.00000
     11      16.9806      0.00000
     12      18.4035      0.00000
     13      19.3341      0.00000
     14      20.6128      0.00000
     15      23.2788      0.00000
     16      23.8326      0.00000

 k-point    19 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -4.4858      2.00000
      2       1.1463      2.00000
      3       3.7782      2.00000
      4       4.1494      2.00000
      5       7.9349      0.00000
      6      10.1459      0.00000
      7      10.8244      0.00000
      8      11.3891      0.00000
      9      15.5977      0.00000
     10      16.0241      0.00000
     11      16.7115      0.00000
     12      19.5922      0.00000
     13      19.6749      0.00000
     14      21.3965      0.00000
     15      22.2385      0.00000
     16      23.5676      0.00000

 k-point    20 :       0.4545    0.1818    0.0000
  band No.  band energies     occupation 
      1      -3.7816      2.00000
      2      -0.1282      2.00000
      3       3.2877      2.00000
      4       4.1167      2.00000
      5       7.9736      0.00000
      6      10.6019      0.00000
      7      11.1125      0.00000
      8      11.3843      0.00000
      9      16.0809      0.00000
     10      16.9384      0.00000
     11      17.8567      0.00000
     12      17.8861      0.00000
     13      19.0823      0.00000
     14      22.4402      0.00000
     15      23.9849      0.00000
     16      24.3322      0.00000

 k-point    21 :      -0.4545    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.2737      2.00000
      2      -0.8666      2.00000
      3       2.9387      2.00000
      4       4.2519      2.00000
      5       8.0821      0.00000
      6      10.4658      0.00000
      7      10.8095      0.00000
      8      13.0436      0.00000
      9      15.2773      0.00000
     10      15.6432      0.00000
     11      17.7253      0.00000
     12      18.9668      0.00000
     13      19.8656      0.00000
     14      22.0727      0.00000
     15      25.0496      0.00000
     16      25.3472      0.00000

 k-point    22 :      -0.3636    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -3.5773      2.00000
      2      -0.4310      2.00000
      3       2.7735      2.00000
      4       4.5382      2.00000
      5       8.3533      0.00000
      6      10.4432      0.00000
      7      10.5869      0.00000
      8      13.8653      0.00000
      9      13.9220      0.00000
     10      14.8504      0.00000
     11      17.5800      0.00000
     12      20.1262      0.00000
     13      20.9970      0.00000
     14      21.3977      0.00000
     15      22.7486      0.00000
     16      25.1327      0.00000

 k-point    23 :      -0.2727    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.2757      2.00000
      2       0.7304      2.00000
      3       2.8424      2.00000
      4       4.9374      2.00000
      5       8.7494      0.00000
      6      10.3459      0.00000
      7      10.4835      0.00000
      8      12.5206      0.00000
      9      12.5794      0.00000
     10      16.3112      0.00000
     11      18.1726      0.00000
     12      18.2870      0.00000
     13      20.1264      0.00000
     14      22.2283      0.00000
     15      22.9142      0.00000
     16      24.0303      0.00000

 k-point    24 :      -0.1818    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -4.9100      2.00000
      2       1.9684      2.00000
      3       3.3120      2.00000
      4       5.3658      2.00000
      5       9.1133      0.00000
      6       9.8413      0.00000
      7      10.1542      0.00000
      8      11.8434      0.00000
      9      12.1337      0.00000
     10      16.2454      0.00000
     11      16.8527      0.00000
     12      17.8197      0.00000
     13      19.9534      0.00000
     14      21.2713      0.00000
     15      22.7731      0.00000
     16      24.9725      0.00000

 k-point    25 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7465      2.00000
      2       2.1344      2.00000
      3       3.9644      2.00000
      4       3.9656      2.00000
      5       7.0363      0.00000
      6       8.8412      0.00000
      7      12.3058      0.00000
      8      12.3072      0.00000
      9      14.8520      0.00000
     10      15.2642      0.00000
     11      18.1398      0.00000
     12      19.4433      0.00000
     13      19.4443      0.00000
     14      20.2480      0.00000
     15      23.2477      0.00000
     16      23.2504      0.00000

 k-point    26 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.2191      2.00000
      2       1.1398      2.00000
      3       3.4356      2.00000
      4       3.7279      2.00000
      5       7.1652      0.00000
      6       8.5445      0.00000
      7      12.6289      0.00000
      8      12.7906      0.00000
      9      16.0036      0.00000
     10      16.3095      0.00000
     11      18.3160      0.00000
     12      19.5522      0.00000
     13      20.0600      0.00000
     14      21.0496      0.00000
     15      22.0521      0.00000
     16      23.0365      0.00000

 k-point    27 :       0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.5385      2.00000
      2       0.0744      2.00000
      3       2.6931      2.00000
      4       3.6654      2.00000
      5       7.3597      0.00000
      6       9.3269      0.00000
      7      12.4819      0.00000
      8      12.6351      0.00000
      9      17.2804      0.00000
     10      17.3564      0.00000
     11      17.8837      0.00000
     12      18.2196      0.00000
     13      19.9355      0.00000
     14      21.9522      0.00000
     15      23.0006      0.00000
     16      24.7262      0.00000

 k-point    28 :      -0.4545    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.8962      2.00000
      2      -0.7606      2.00000
      3       2.1024      2.00000
      4       3.7814      2.00000
      5       7.4976      0.00000
      6      10.8327      0.00000
      7      12.2797      0.00000
      8      12.3313      0.00000
      9      15.6890      0.00000
     10      15.7471      0.00000
     11      19.3206      0.00000
     12      19.3539      0.00000
     13      20.1368      0.00000
     14      23.9322      0.00000
     15      23.9765      0.00000
     16      24.4833      0.00000

 k-point    29 :      -0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -2.9582      2.00000
      2      -0.6682      2.00000
      3       1.7993      2.00000
      4       4.0638      2.00000
      5       7.8001      0.00000
      6      11.9327      0.00000
      7      11.9647      0.00000
      8      12.8816      0.00000
      9      13.8840      0.00000
     10      14.0467      0.00000
     11      19.2939      0.00000
     12      21.3615      0.00000
     13      21.5326      0.00000
     14      22.3056      0.00000
     15      22.9045      0.00000
     16      24.1649      0.00000

 k-point    30 :      -0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -3.6209      2.00000
      2       0.1347      2.00000
      3       1.9457      2.00000
      4       4.4786      2.00000
      5       8.2679      0.00000
      6      11.3256      0.00000
      7      11.6638      0.00000
      8      12.6365      0.00000
      9      12.7666      0.00000
     10      14.9005      0.00000
     11      19.2590      0.00000
     12      19.9403      0.00000
     13      20.5863      0.00000
     14      23.0072      0.00000
     15      23.3990      0.00000
     16      23.8281      0.00000

 k-point    31 :       0.3636    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.7555      2.00000
      2       0.4867      2.00000
      3       3.4479      2.00000
      4       3.4484      2.00000
      5       6.6648      0.00000
      6       7.6772      0.00000
      7      14.0023      0.00000
      8      14.0037      0.00000
      9      16.3958      0.00000
     10      16.8340      0.00000
     11      19.3957      0.00000
     12      19.4002      0.00000
     13      19.8185      0.00000
     14      21.6560      0.00000
     15      21.9251      0.00000
     16      22.9221      0.00000

 k-point    32 :       0.4545    0.3636    0.0000
  band No.  band energies     occupation 
      1      -3.1152      2.00000
      2      -0.3556      2.00000
      3       2.9042      2.00000
      4       3.3406      2.00000
      5       6.8683      0.00000
      6       7.7044      0.00000
      7      14.3333      0.00000
      8      14.3723      0.00000
      9      17.5523      0.00000
     10      17.8291      0.00000
     11      17.9519      0.00000
     12      18.3507      0.00000
     13      20.9179      0.00000
     14      21.3240      0.00000
     15      21.9784      0.00000
     16      24.0948      0.00000

 k-point    33 :      -0.4545    0.3636    0.0000
  band No.  band energies     occupation 
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     10      16.0061      0.00000
     11      19.4572      0.00000
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     13      21.5372      0.00000
     14      21.6402      0.00000
     15      22.3614      0.00000
     16      24.3924      0.00000

 k-point    34 :      -0.3636    0.3636   -0.0000
  band No.  band energies     occupation 
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      3       1.5858      2.00000
      4       3.6670      2.00000
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     10      14.3624      0.00000
     11      21.1119      0.00000
     12      21.3280      0.00000
     13      21.8162      0.00000
     14      21.8956      0.00000
     15      22.0804      0.00000
     16      23.8118      0.00000

 k-point    35 :       0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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      2      -1.0898      2.00000
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     10      17.7516      0.00000
     11      17.8597      0.00000
     12      18.6544      0.00000
     13      19.6006      0.00000
     14      19.9685      0.00000
     15      24.0558      0.00000
     16      24.9250      0.00000

 k-point    36 :      -0.4545    0.4545    0.0000
  band No.  band energies     occupation 
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      4       3.2101      2.00000
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     10      16.4574      0.00000
     11      19.3265      0.00000
     12      19.4299      0.00000
     13      19.7817      0.00000
     14      20.3125      0.00000
     15      24.1439      0.00000
     16      24.4678      0.00000

 k-point    37 :       0.2727    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.3286      2.00000
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      4       5.2293      2.00000
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     10      14.5866      0.00000
     11      16.4247      0.00000
     12      17.6555      0.00000
     13      18.8556      0.00000
     14      20.8106      0.00000
     15      23.4183      0.00000
     16      25.1218      0.00000

 k-point    38 :       0.3636    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8022      2.00000
      2       1.6600      2.00000
      3       3.6368      2.00000
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     10      16.1355      0.00000
     11      16.5356      0.00000
     12      18.5181      0.00000
     13      20.0924      0.00000
     14      21.5577      0.00000
     15      22.2387      0.00000
     16      24.3208      0.00000

 k-point    39 :       0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.1229      2.00000
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     10      15.9784      0.00000
     11      17.9146      0.00000
     12      18.1697      0.00000
     13      20.4638      0.00000
     14      21.5672      0.00000
     15      23.0913      0.00000
     16      24.1957      0.00000

 k-point    40 :      -0.4545    0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.4797      2.00000
      2      -0.7435      2.00000
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     10      15.9735      0.00000
     11      17.3858      0.00000
     12      18.7846      0.00000
     13      19.8263      0.00000
     14      21.6872      0.00000
     15      24.0401      0.00000
     16      25.8409      0.00000

 k-point    41 :       0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.6152      2.00000
      2       1.7344      2.00000
      3       3.4471      2.00000
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     10      16.2484      0.00000
     11      17.7116      0.00000
     12      18.6658      0.00000
     13      20.0437      0.00000
     14      21.5242      0.00000
     15      21.6189      0.00000
     16      23.8896      0.00000

 k-point    42 :       0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.9794      2.00000
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     10      16.9247      0.00000
     11      18.1823      0.00000
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     13      20.3836      0.00000
     14      21.0533      0.00000
     15      22.6337      0.00000
     16      24.4682      0.00000

 k-point    43 :      -0.4545    0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.2797      2.00000
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      3       2.5128      2.00000
      4       3.6842      2.00000
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     10      16.8413      0.00000
     11      17.9311      0.00000
     12      19.2451      0.00000
     13      20.1451      0.00000
     14      22.7032      0.00000
     15      24.1722      0.00000
     16      24.8568      0.00000

 k-point    44 :      -0.3636    0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9979      2.00000
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      4       3.7812      2.00000
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     10      16.1680      0.00000
     11      18.3660      0.00000
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     13      22.0213      0.00000
     14      22.4180      0.00000
     15      23.6231      0.00000
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 k-point    45 :      -0.2727    0.2727    0.0909
  band No.  band energies     occupation 
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     13      20.8001      0.00000
     14      21.3777      0.00000
     15      23.8511      0.00000
     16      24.1763      0.00000

 k-point    46 :      -0.1818    0.2727    0.0909
  band No.  band energies     occupation 
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     10      16.6943      0.00000
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     13      19.7380      0.00000
     14      22.0875      0.00000
     15      22.4792      0.00000
     16      25.1090      0.00000

 k-point    47 :       0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.6428      2.00000
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     10      17.4956      0.00000
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     13      20.3935      0.00000
     14      21.0119      0.00000
     15      22.4696      0.00000
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 k-point    48 :      -0.4545    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.9389      2.00000
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      4       3.1667      2.00000
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     10      17.3870      0.00000
     11      18.2823      0.00000
     12      20.1902      0.00000
     13      20.7782      0.00000
     14      21.4336      0.00000
     15      23.3591      0.00000
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 k-point    49 :      -0.3636    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4458      2.00000
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      3       1.7741      2.00000
      4       3.2918      2.00000
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     10      16.3023      0.00000
     11      19.3371      0.00000
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 k-point    50 :      -0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.8539      2.00000
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     10      14.9594      0.00000
     11      20.3824      0.00000
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     14      22.8941      0.00000
     15      22.9306      0.00000
     16      24.0349      0.00000

 k-point    51 :      -0.4545    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4461      2.00000
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     10      17.5952      0.00000
     11      18.3054      0.00000
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     13      20.1200      0.00000
     14      21.6974      0.00000
     15      22.8324      0.00000
     16      24.3092      0.00000

 k-point    52 :      -0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -1.9226      2.00000
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      3       2.0773      2.00000
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     11      19.2708      0.00000
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     14      22.5552      0.00000
     15      22.9772      0.00000
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 k-point    53 :      -0.4545    0.3636    0.1818
  band No.  band energies     occupation 
      1      -3.3219      2.00000
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     10      15.7257      0.00000
     11      19.7504      0.00000
     12      20.3001      0.00000
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     14      20.8586      0.00000
     15      23.0397      0.00000
     16      24.3503      0.00000

 k-point    54 :      -0.3636    0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6597      2.00000
      2      -0.7967      2.00000
      3       1.9151      2.00000
      4       3.0385      2.00000
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     10      16.8474      0.00000
     11      18.7828      0.00000
     12      20.2607      0.00000
     13      21.7863      0.00000
     14      22.7123      0.00000
     15      23.2517      0.00000
     16      24.9273      0.00000

 k-point    55 :      -0.3636    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.2509      2.00000
      2      -1.1254      2.00000
      3       2.1253      2.00000
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     10      17.3277      0.00000
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     13      21.8530      0.00000
     14      22.7230      0.00000
     15      23.2331      0.00000
     16      24.5175      0.00000

 k-point    56 :      -0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -2.0422      2.00000
      2      -1.2954      2.00000
      3       1.8336      2.00000
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     10      16.9666      0.00000
     11      19.0277      0.00000
     12      20.2306      0.00000
     13      21.8981      0.00000
     14      22.9448      0.00000
     15      24.5196      0.00000
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 k-point    57 :      -0.0000    0.0909   -0.0000
  band No.  band energies     occupation 
      1      -5.9466      2.00000
      2       5.1069      2.00000
      3       5.8231      2.00000
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     10      13.4901      0.00000
     11      14.5736      0.00000
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     13      18.0538      0.00000
     14      18.1151      0.00000
     15      22.3291      0.00000
     16      28.3427      0.00000

 k-point    58 :      -0.0000    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6203      2.00000
      2       3.3996      2.00000
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      5       8.4166      0.00000
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     10      13.1452      0.00000
     11      15.3015      0.00000
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     13      19.5707      0.00000
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     15      23.8615      0.00000
     16      25.8801      0.00000

 k-point    59 :       0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.6545      2.00000
      2       3.9237      2.00000
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      4       5.3068      2.00000
      5       8.3499      0.00000
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     10      13.9366      0.00000
     11      15.5602      0.00000
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     14      19.4665      0.00000
     15      23.9789      0.00000
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 k-point    60 :      -0.0909    0.1818   -0.0000
  band No.  band energies     occupation 
      1      -5.3686      2.00000
      2       2.7922      2.00000
      3       4.4456      2.00000
      4       5.6434      2.00000
      5       8.8515      0.00000
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     10      14.3878      0.00000
     11      15.8558      0.00000
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     13      19.3071      0.00000
     14      21.1447      0.00000
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 k-point    61 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.0946      2.00000
      2       1.7083      2.00000
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     10      13.5328      0.00000
     11      15.0741      0.00000
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     13      21.1453      0.00000
     14      21.1846      0.00000
     15      23.7395      0.00000
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 k-point    62 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -5.1928      2.00000
      2       2.2659      2.00000
      3       4.8191      2.00000
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     10      14.1549      0.00000
     11      15.7075      0.00000
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     13      20.0057      0.00000
     14      21.2690      0.00000
     15      23.3949      0.00000
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 k-point    63 :       0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -5.0758      2.00000
      2       2.6163      2.00000
      3       4.2444      2.00000
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     10      14.8109      0.00000
     11      17.0017      0.00000
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     15      23.3475      0.00000
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 k-point    64 :      -0.1818    0.2727   -0.0000
  band No.  band energies     occupation 
      1      -4.2809      2.00000
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     10      16.3224      0.00000
     11      18.1495      0.00000
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     14      22.2427      0.00000
     15      22.9344      0.00000
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 k-point    65 :      -0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1      -4.7857      2.00000
      2       1.2114      2.00000
      3       4.1467      2.00000
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     10      15.4817      0.00000
     11      15.8568      0.00000
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     16      24.0603      0.00000

 k-point    66 :      -0.0000    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4215      2.00000
      2       0.2238      2.00000
      3       4.9292      2.00000
      4       5.0074      2.00000
      5       7.8244      0.00000
      6       9.4707      0.00000
      7       9.5599      0.00000
      8      14.0013      0.00000
      9      14.5225      0.00000
     10      14.5572      0.00000
     11      15.8001      0.00000
     12      20.2204      0.00000
     13      20.2503      0.00000
     14      20.3381      0.00000
     15      22.9495      0.00000
     16      24.5519      0.00000

 k-point    67 :       0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.5591      2.00000
      2       0.7244      2.00000
      3       4.5396      2.00000
      4       4.6482      2.00000
      5       8.3733      0.00000
      6       9.4119      0.00000
      7      10.1551      0.00000
      8      12.2377      0.00000
      9      15.0147      0.00000
     10      15.1032      0.00000
     11      15.9041      0.00000
     12      19.7616      0.00000
     13      19.9354      0.00000
     14      21.4344      0.00000
     15      23.1346      0.00000
     16      23.6556      0.00000

 k-point    68 :       0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.4941      2.00000
      2       1.2087      2.00000
      3       3.7086      2.00000
      4       4.1560      2.00000
      5       7.9377      0.00000
      6      10.1629      0.00000
      7      10.8038      0.00000
      8      11.3293      0.00000
      9      15.6732      0.00000
     10      16.0607      0.00000
     11      16.7249      0.00000
     12      19.5480      0.00000
     13      19.6722      0.00000
     14      21.3688      0.00000
     15      22.2800      0.00000
     16      23.6333      0.00000

 k-point    69 :       0.2727    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.2239      2.00000
      2       1.1784      2.00000
      3       3.3903      2.00000
      4       3.7303      2.00000
      5       7.1731      0.00000
      6       8.5477      0.00000
      7      12.6143      0.00000
      8      12.7457      0.00000
      9      16.0648      0.00000
     10      16.3358      0.00000
     11      18.3465      0.00000
     12      19.5497      0.00000
     13      19.9998      0.00000
     14      21.0250      0.00000
     15      22.1035      0.00000
     16      23.0955      0.00000

 k-point    70 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1      -2.9750      2.00000
      2      -0.6243      2.00000
      3       1.7697      2.00000
      4       4.0669      2.00000
      5       7.8019      0.00000
      6      11.8858      0.00000
      7      11.9145      0.00000
      8      12.9463      0.00000
      9      13.9250      0.00000
     10      14.0394      0.00000
     11      19.2639      0.00000
     12      21.4191      0.00000
     13      21.5711      0.00000
     14      22.2868      0.00000
     15      22.9659      0.00000
     16      24.1138      0.00000

 k-point    71 :      -0.1818    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -3.5956      2.00000
      2      -0.3758      2.00000
      3       2.7316      2.00000
      4       4.5471      2.00000
      5       8.3553      0.00000
      6      10.4170      0.00000
      7      10.5299      0.00000
      8      13.9131      0.00000
      9      13.9617      0.00000
     10      14.8599      0.00000
     11      17.5388      0.00000
     12      20.1556      0.00000
     13      21.0484      0.00000
     14      21.4134      0.00000
     15      22.7650      0.00000
     16      25.1010      0.00000

 k-point    72 :      -0.0909    0.3636   -0.0000
  band No.  band energies     occupation 
      1      -4.0925      2.00000
      2      -0.1433      2.00000
      3       4.0264      2.00000
      4       4.9432      2.00000
      5       8.3388      0.00000
      6       9.5620      0.00000
      7       9.6493      0.00000
      8      13.9305      0.00000
      9      14.1409      0.00000
     10      15.3575      0.00000
     11      17.5338      0.00000
     12      18.1231      0.00000
     13      20.6218      0.00000
     14      20.9428      0.00000
     15      23.0448      0.00000
     16      24.4617      0.00000

 k-point    73 :      -0.0000    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.7982      2.00000
      2      -0.8127      2.00000
      3       4.8108      2.00000
      4       4.8890      2.00000
      5       7.6909      0.00000
      6       9.3510      0.00000
      7       9.4411      0.00000
      8      13.8348      0.00000
      9      16.0936      0.00000
     10      16.1166      0.00000
     11      17.2875      0.00000
     12      18.1884      0.00000
     13      18.2411      0.00000
     14      19.7239      0.00000
     15      24.6000      0.00000
     16      26.8679      0.00000

 k-point    74 :       0.0909    0.4545    0.0000
  band No.  band energies     occupation 
      1      -3.8758      2.00000
      2      -0.4949      2.00000
      3       4.2449      2.00000
      4       4.6044      2.00000
      5       8.2463      0.00000
      6       9.3416      0.00000
      7       9.9001      0.00000
      8      13.5071      0.00000
      9      14.8968      0.00000
     10      16.5358      0.00000
     11      17.4634      0.00000
     12      17.9985      0.00000
     13      18.8946      0.00000
     14      21.2421      0.00000
     15      23.7971      0.00000
     16      25.2868      0.00000

 k-point    75 :       0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.8007      2.00000
      2      -0.0616      2.00000
      3       3.2287      2.00000
      4       4.1252      2.00000
      5       7.9767      0.00000
      6      10.5701      0.00000
      7      11.0507      0.00000
      8      11.4112      0.00000
      9      16.0882      0.00000
     10      17.0220      0.00000
     11      17.9044      0.00000
     12      17.9245      0.00000
     13      19.0385      0.00000
     14      22.4010      0.00000
     15      23.9894      0.00000
     16      24.3527      0.00000

 k-point    76 :       0.2727    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5521      2.00000
      2       0.1307      2.00000
      3       2.6411      2.00000
      4       3.6692      2.00000
      5       7.3652      0.00000
      6       9.3278      0.00000
      7      12.4699      0.00000
      8      12.5799      0.00000
      9      17.2948      0.00000
     10      17.4509      0.00000
     11      17.8996      0.00000
     12      18.2670      0.00000
     13      19.8963      0.00000
     14      21.9030      0.00000
     15      22.9977      0.00000
     16      24.6531      0.00000

 k-point    77 :       0.3636    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.1230      2.00000
      2      -0.3334      2.00000
      3       2.8838      2.00000
      4       3.3418      2.00000
      5       6.8744      0.00000
      6       7.7037      0.00000
      7      14.2900      0.00000
      8      14.3580      0.00000
      9      17.6214      0.00000
     10      17.8208      0.00000
     11      17.9772      0.00000
     12      18.4099      0.00000
     13      20.8800      0.00000
     14      21.2857      0.00000
     15      21.9352      0.00000
     16      24.0709      0.00000

 k-point    78 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.4358      2.00000
      2      -1.0596      2.00000
      3       2.0782      2.00000
      4       3.4171      2.00000
      5       7.0400      0.00000
      6       8.9242      0.00000
      7      13.9929      0.00000
      8      14.2316      0.00000
      9      15.9516      0.00000
     10      16.0215      0.00000
     11      19.5266      0.00000
     12      20.1277      0.00000
     13      21.5167      0.00000
     14      21.5866      0.00000
     15      22.3115      0.00000
     16      24.4146      0.00000

 k-point    79 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1      -2.9245      2.00000
      2      -0.6931      2.00000
      3       2.0577      2.00000
      4       3.7855      2.00000
      5       7.5011      0.00000
      6      10.8187      0.00000
      7      12.2307      0.00000
      8      12.3323      0.00000
      9      15.7293      0.00000
     10      15.7695      0.00000
     11      19.3199      0.00000
     12      19.4023      0.00000
     13      20.1585      0.00000
     14      23.8844      0.00000
     15      23.9249      0.00000
     16      24.5060      0.00000

 k-point    80 :      -0.1818    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.3065      2.00000
      2      -0.7920      2.00000
      3       2.8889      2.00000
      4       4.2613      2.00000
      5       8.0852      0.00000
      6      10.4389      0.00000
      7      10.7492      0.00000
      8      13.0663      0.00000
      9      15.2974      0.00000
     10      15.6936      0.00000
     11      17.7034      0.00000
     12      19.0266      0.00000
     13      19.8953      0.00000
     14      22.0683      0.00000
     15      25.0852      0.00000
     16      25.3194      0.00000

 k-point    81 :      -0.0909    0.4545   -0.0000
  band No.  band energies     occupation 
      1      -3.5992      2.00000
      2      -0.9070      2.00000
      3       4.0649      2.00000
      4       4.7099      2.00000
      5       8.2303      0.00000
      6       9.3843      0.00000
      7       9.7084      0.00000
      8      14.1900      0.00000
      9      15.5383      0.00000
     10      15.8180      0.00000
     11      17.1933      0.00000
     12      18.5910      0.00000
     13      19.0056      0.00000
     14      19.9901      0.00000
     15      25.2224      0.00000
     16      26.3776      0.00000

 k-point    82 :       0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.9093      2.00000
      2       5.2781      2.00000
      3       5.4977      2.00000
      4       5.6058      2.00000
      5       8.3085      0.00000
      6       9.3035      0.00000
      7       9.3502      0.00000
      8      10.3999      0.00000
      9      12.9258      0.00000
     10      13.9646      0.00000
     11      14.7283      0.00000
     12      17.5986      0.00000
     13      17.6993      0.00000
     14      18.0157      0.00000
     15      22.6401      0.00000
     16      27.8709      0.00000

 k-point    83 :       0.1818   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.6534      2.00000
      2       3.8747      2.00000
      3       5.1911      2.00000
      4       5.3158      2.00000
      5       8.3548      0.00000
      6       9.4671      0.00000
      7       9.9159      0.00000
      8      11.1544      0.00000
      9      12.7863      0.00000
     10      13.9164      0.00000
     11      15.5561      0.00000
     12      17.2730      0.00000
     13      18.4712      0.00000
     14      19.4650      0.00000
     15      23.9908      0.00000
     16      25.7510      0.00000

 k-point    84 :       0.2727    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.1890      2.00000
      2       2.2194      2.00000
      3       4.8625      2.00000
      4       4.9415      2.00000
      5       8.5222      0.00000
      6       9.4505      0.00000
      7      10.2616      0.00000
      8      11.4189      0.00000
      9      14.0067      0.00000
     10      14.1155      0.00000
     11      15.7156      0.00000
     12      18.0871      0.00000
     13      19.9856      0.00000
     14      21.2844      0.00000
     15      23.3550      0.00000
     16      23.9824      0.00000

 k-point    85 :       0.3636   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.5492      2.00000
      2       0.6751      2.00000
      3       4.5545      2.00000
      4       4.6729      2.00000
      5       8.3974      0.00000
      6       9.4481      0.00000
      7      10.1668      0.00000
      8      12.1972      0.00000
      9      15.0371      0.00000
     10      15.0581      0.00000
     11      15.8647      0.00000
     12      19.7961      0.00000
     13      19.9338      0.00000
     14      21.4294      0.00000
     15      23.0774      0.00000
     16      23.6592      0.00000

 k-point    86 :       0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.8524      2.00000
      2      -0.5564      2.00000
      3       4.2514      2.00000
      4       4.6351      2.00000
      5       8.2684      0.00000
      6       9.3822      0.00000
      7       9.9072      0.00000
      8      13.4818      0.00000
      9      14.8999      0.00000
     10      16.4815      0.00000
     11      17.3928      0.00000
     12      18.0066      0.00000
     13      18.9205      0.00000
     14      21.2338      0.00000
     15      23.8107      0.00000
     16      25.2367      0.00000

 k-point    87 :      -0.4545    0.0000    0.0909
  band No.  band energies     occupation 
      1      -3.5650      2.00000
      2      -0.9797      2.00000
      3       4.0703      2.00000
      4       4.7436      2.00000
      5       8.2510      0.00000
      6       9.4288      0.00000
      7       9.7097      0.00000
      8      14.2194      0.00000
      9      15.4644      0.00000
     10      15.7811      0.00000
     11      17.1850      0.00000
     12      18.5825      0.00000
     13      18.9100      0.00000
     14      20.0587      0.00000
     15      25.2242      0.00000
     16      26.3902      0.00000

 k-point    88 :      -0.3636    0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.0735      2.00000
      2      -0.2032      2.00000
      3       4.0333      2.00000
      4       4.9813      2.00000
      5       8.3590      0.00000
      6       9.6248      0.00000
      7       9.6315      0.00000
      8      13.9409      0.00000
      9      14.1077      0.00000
     10      15.3160      0.00000
     11      17.4722      0.00000
     12      18.1203      0.00000
     13      20.6142      0.00000
     14      20.9680      0.00000
     15      23.0488      0.00000
     16      24.4420      0.00000

 k-point    89 :      -0.2727   -0.0000    0.0909
  band No.  band energies     occupation 
      1      -4.7772      2.00000
      2       1.1574      2.00000
      3       4.1573      2.00000
      4       5.3188      2.00000
      5       8.5800      0.00000
      6       9.5767      0.00000
      7       9.8578      0.00000
      8      12.8806      0.00000
      9      12.8868      0.00000
     10      15.4743      0.00000
     11      15.8057      0.00000
     12      19.0625      0.00000
     13      20.3705      0.00000
     14      22.1777      0.00000
     15      22.2432      0.00000
     16      24.0600      0.00000

 k-point    90 :      -0.1818    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.3652      2.00000
      2       2.7341      2.00000
      3       4.4628      2.00000
      4       5.6991      2.00000
      5       8.8762      0.00000
      6       9.3045      0.00000
      7       9.7539      0.00000
      8      12.0467      0.00000
      9      12.4297      0.00000
     10      14.3337      0.00000
     11      15.8486      0.00000
     12      17.5340      0.00000
     13      19.3168      0.00000
     14      21.1202      0.00000
     15      23.3870      0.00000
     16      24.7478      0.00000

 k-point    91 :      -0.0909    0.0000    0.0909
  band No.  band energies     occupation 
      1      -5.7624      2.00000
      2       4.2155      2.00000
      3       5.0467      2.00000
      4       5.9872      2.00000
      5       8.8960      0.00000
      6       9.1060      0.00000
      7       9.1514      0.00000
      8      11.2596      0.00000
      9      12.7715      0.00000
     10      13.6527      0.00000
     11      15.2261      0.00000
     12      17.2689      0.00000
     13      17.9619      0.00000
     14      19.3801      0.00000
     15      23.3571      0.00000
     16      25.8717      0.00000

 k-point    92 :       0.0909    0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.7644      2.00000
      2       4.3275      2.00000
      3       5.0316      2.00000
      4       5.8486      2.00000
      5       8.9814      0.00000
      6       9.0889      0.00000
      7       9.0895      0.00000
      8      11.2634      0.00000
      9      12.7870      0.00000
     10      13.7080      0.00000
     11      15.2356      0.00000
     12      17.1835      0.00000
     13      17.9429      0.00000
     14      19.4526      0.00000
     15      23.3293      0.00000
     16      25.9551      0.00000

 k-point    93 :       0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3701      2.00000
      2       2.8126      2.00000
      3       4.4729      2.00000
      4       5.5760      2.00000
      5       8.8495      0.00000
      6       9.3856      0.00000
      7       9.6805      0.00000
      8      12.0453      0.00000
      9      12.4410      0.00000
     10      14.4311      0.00000
     11      15.8661      0.00000
     12      17.4619      0.00000
     13      19.2739      0.00000
     14      21.1763      0.00000
     15      23.4764      0.00000
     16      24.7113      0.00000

 k-point    94 :       0.1818    0.2727    0.0909
  band No.  band energies     occupation 
      1      -5.3308      2.00000
      2       3.0807      2.00000
      3       4.1706      2.00000
      4       5.1707      2.00000
      5       8.4179      0.00000
      6       9.7778      0.00000
      7      10.4990      0.00000
      8      10.8455      0.00000
      9      13.2100      0.00000
     10      14.6364      0.00000
     11      16.4376      0.00000
     12      17.6152      0.00000
     13      18.8339      0.00000
     14      20.8349      0.00000
     15      23.4626      0.00000
     16      25.1171      0.00000

 k-point    95 :      -0.0909    0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.8057      2.00000
      2       1.7009      2.00000
      3       3.5860      2.00000
      4       4.9081      2.00000
      5       8.7188      0.00000
      6       9.7273      0.00000
      7      10.8035      0.00000
      8      10.9493      0.00000
      9      13.7322      0.00000
     10      16.1483      0.00000
     11      16.5440      0.00000
     12      18.4836      0.00000
     13      20.0888      0.00000
     14      21.5619      0.00000
     15      22.2519      0.00000
     16      24.3792      0.00000

 k-point    96 :       0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.7877      2.00000
      2       1.2215      2.00000
      3       4.1842      2.00000
      4       5.2112      2.00000
      5       8.5557      0.00000
      6       9.6512      0.00000
      7       9.7657      0.00000
      8      12.8867      0.00000
      9      12.8991      0.00000
     10      15.4978      0.00000
     11      15.8871      0.00000
     12      19.0297      0.00000
     13      20.3408      0.00000
     14      22.2317      0.00000
     15      22.2384      0.00000
     16      24.0746      0.00000

 k-point    97 :       0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.8086      2.00000
      2       1.7210      2.00000
      3       3.6129      2.00000
      4       4.8481      2.00000
      5       8.7443      0.00000
      6       9.6793      0.00000
      7      10.8040      0.00000
      8      10.9854      0.00000
      9      13.7083      0.00000
     10      16.1917      0.00000
     11      16.5484      0.00000
     12      18.4748      0.00000
     13      20.0619      0.00000
     14      21.6020      0.00000
     15      22.2476      0.00000
     16      24.3771      0.00000

 k-point    98 :       0.2727    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.6189      2.00000
      2       1.7749      2.00000
      3       3.4406      2.00000
      4       4.1486      2.00000
      5       7.8381      0.00000
      6       9.3666      0.00000
      7      11.0895      0.00000
      8      12.1876      0.00000
      9      14.6975      0.00000
     10      16.2999      0.00000
     11      17.7349      0.00000
     12      18.6239      0.00000
     13      20.0108      0.00000
     14      21.5354      0.00000
     15      21.6574      0.00000
     16      23.9196      0.00000

 k-point    99 :      -0.1818    0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.5404      2.00000
      2      -0.0432      2.00000
      3       2.1997      2.00000
      4       4.1094      2.00000
      5       8.9207      0.00000
      6       9.9016      0.00000
      7      11.6930      0.00000
      8      12.2772      0.00000
      9      14.6897      0.00000
     10      14.9738      0.00000
     11      18.5741      0.00000
     12      20.4451      0.00000
     13      20.8720      0.00000
     14      21.3562      0.00000
     15      23.8905      0.00000
     16      24.1358      0.00000

 k-point   100 :      -0.0909    0.3636    0.0909
  band No.  band energies     occupation 
      1      -4.1342      2.00000
      2       0.3285      2.00000
      3       3.3239      2.00000
      4       4.5620      2.00000
      5       8.7718      0.00000
      6       9.4569      0.00000
      7      10.8720      0.00000
      8      11.8476      0.00000
      9      14.8377      0.00000
     10      15.9986      0.00000
     11      17.9355      0.00000
     12      18.1330      0.00000
     13      20.5094      0.00000
     14      21.5406      0.00000
     15      23.1205      0.00000
     16      24.1743      0.00000

 k-point   101 :       0.0909    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.0949      2.00000
      2      -0.1378      2.00000
      3       4.0699      2.00000
      4       4.8850      2.00000
      5       8.3342      0.00000
      6       9.5360      0.00000
      7       9.6972      0.00000
      8      13.9172      0.00000
      9      14.1149      0.00000
     10      15.3714      0.00000
     11      17.5635      0.00000
     12      18.1576      0.00000
     13      20.5911      0.00000
     14      20.9222      0.00000
     15      23.0404      0.00000
     16      24.4637      0.00000

 k-point   102 :       0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -4.1377      2.00000
      2       0.3377      2.00000
      3       3.3663      2.00000
      4       4.5013      2.00000
      5       8.8002      0.00000
      6       9.3975      0.00000
      7      10.9252      0.00000
      8      11.8472      0.00000
      9      14.8001      0.00000
     10      16.0025      0.00000
     11      17.9759      0.00000
     12      18.1590      0.00000
     13      20.4648      0.00000
     14      21.5453      0.00000
     15      23.1005      0.00000
     16      24.2052      0.00000

 k-point   103 :       0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.9901      2.00000
      2       0.6673      2.00000
      3       2.8574      2.00000
      4       3.8301      2.00000
      5       8.1994      0.00000
      6       9.7774      0.00000
      7      10.7795      0.00000
      8      12.5808      0.00000
      9      15.5488      0.00000
     10      16.9526      0.00000
     11      18.2360      0.00000
     12      18.6863      0.00000
     13      20.3850      0.00000
     14      21.0347      0.00000
     15      22.6313      0.00000
     16      24.4784      0.00000

 k-point   104 :       0.3636    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.6488      2.00000
      2       0.3739      2.00000
      3       2.9573      2.00000
      4       3.3378      2.00000
      5       7.4653      0.00000
      6       8.2964      0.00000
      7      12.4944      0.00000
      8      13.9679      0.00000
      9      16.3549      0.00000
     10      17.5271      0.00000
     11      18.1966      0.00000
     12      19.4569      0.00000
     13      20.3971      0.00000
     14      20.9887      0.00000
     15      22.4727      0.00000
     16      23.0840      0.00000

 k-point   105 :      -0.2727    0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4673      2.00000
      2      -0.9890      2.00000
      3       1.7418      2.00000
      4       3.3050      2.00000
      5       8.0176      0.00000
      6      10.7241      0.00000
      7      11.8767      0.00000
      8      13.4952      0.00000
      9      14.2214      0.00000
     10      16.3703      0.00000
     11      19.4163      0.00000
     12      20.5089      0.00000
     13      21.9341      0.00000
     14      22.3447      0.00000
     15      23.5186      0.00000
     16      24.5749      0.00000

 k-point   106 :      -0.1818    0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.0248      2.00000
      2      -0.7443      2.00000
      3       2.2072      2.00000
      4       3.8109      2.00000
      5       8.5422      0.00000
      6      10.0970      0.00000
      7      12.3565      0.00000
      8      12.9580      0.00000
      9      13.4118      0.00000
     10      16.2434      0.00000
     11      18.3872      0.00000
     12      19.3280      0.00000
     13      22.0212      0.00000
     14      22.4462      0.00000
     15      23.6221      0.00000
     16      24.6120      0.00000

 k-point   107 :      -0.0909   -0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.5067      2.00000
      2      -0.6751      2.00000
      3       3.2224      2.00000
      4       4.3501      2.00000
      5       8.7699      0.00000
      6       9.2144      0.00000
      7      10.7903      0.00000
      8      13.3586      0.00000
      9      14.9244      0.00000
     10      16.0422      0.00000
     11      17.3908      0.00000
     12      18.8252      0.00000
     13      19.8507      0.00000
     14      21.6696      0.00000
     15      24.0497      0.00000
     16      25.8343      0.00000

 k-point   108 :       0.0909    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.6003      2.00000
      2      -0.9059      2.00000
      3       4.1139      2.00000
      4       4.6551      2.00000
      5       8.2241      0.00000
      6       9.3442      0.00000
      7       9.7669      0.00000
      8      14.1880      0.00000
      9      15.5339      0.00000
     10      15.7999      0.00000
     11      17.2365      0.00000
     12      18.5504      0.00000
     13      19.0069      0.00000
     14      20.0042      0.00000
     15      25.2098      0.00000
     16      26.3773      0.00000

 k-point   109 :       0.1818   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.5098      2.00000
      2      -0.6712      2.00000
      3       3.2699      2.00000
      4       4.2931      2.00000
      5       8.7975      0.00000
      6       9.1517      0.00000
      7      10.8480      0.00000
      8      13.3550      0.00000
      9      14.9325      0.00000
     10      16.0148      0.00000
     11      17.4035      0.00000
     12      18.8021      0.00000
     13      19.8708      0.00000
     14      21.6693      0.00000
     15      24.0393      0.00000
     16      25.8458      0.00000

 k-point   110 :       0.2727   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -3.3038      2.00000
      2      -0.3746      2.00000
      3       2.4677      2.00000
      4       3.6814      2.00000
      5       8.3284      0.00000
      6      10.3212      0.00000
      7      11.2244      0.00000
      8      12.5401      0.00000
      9      15.2512      0.00000
     10      16.8868      0.00000
     11      17.9596      0.00000
     12      19.2237      0.00000
     13      20.1951      0.00000
     14      22.6753      0.00000
     15      24.1965      0.00000
     16      24.8464      0.00000

 k-point   111 :       0.3636   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.9562      2.00000
      2      -0.4625      2.00000
      3       2.2874      2.00000
      4       3.1643      2.00000
      5       7.8044      0.00000
      6       9.1418      0.00000
      7      12.1337      0.00000
      8      14.3454      0.00000
      9      15.5341      0.00000
     10      17.4323      0.00000
     11      18.3108      0.00000
     12      20.2140      0.00000
     13      20.7785      0.00000
     14      21.3939      0.00000
     15      23.3056      0.00000
     16      23.9709      0.00000

 k-point   112 :       0.4545   -0.4545    0.0909
  band No.  band energies     occupation 
      1      -2.4559      2.00000
      2      -1.0683      2.00000
      3       2.7658      2.00000
      4       2.8778      2.00000
      5       7.3840      0.00000
      6       7.6365      0.00000
      7      14.0542      0.00000
      8      15.5910      0.00000
      9      16.0882      0.00000
     10      17.5904      0.00000
     11      18.3095      0.00000
     12      19.8455      0.00000
     13      20.1684      0.00000
     14      21.6446      0.00000
     15      22.7950      0.00000
     16      24.3398      0.00000

 k-point   113 :      -0.2727    0.5455    0.0909
  band No.  band energies     occupation 
      1      -2.9489      2.00000
      2      -0.4792      2.00000
      3       2.2765      2.00000
      4       3.1891      2.00000
      5       7.7978      0.00000
      6       9.1429      0.00000
      7      12.1694      0.00000
      8      14.3147      0.00000
      9      15.4948      0.00000
     10      17.4595      0.00000
     11      18.3466      0.00000
     12      20.1932      0.00000
     13      20.7506      0.00000
     14      21.3829      0.00000
     15      23.3526      0.00000
     16      23.9506      0.00000

 k-point   114 :      -0.1818    0.5455    0.0909
  band No.  band energies     occupation 
      1      -3.2987      2.00000
      2      -0.3839      2.00000
      3       2.4383      2.00000
      4       3.7218      2.00000
      5       8.3196      0.00000
      6      10.3522      0.00000
      7      11.2344      0.00000
      8      12.4914      0.00000
      9      15.2253      0.00000
     10      16.9273      0.00000
     11      17.9768      0.00000
     12      19.2352      0.00000
     13      20.1583      0.00000
     14      22.6683      0.00000
     15      24.1846      0.00000
     16      24.8230      0.00000

 k-point   115 :       0.0909   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.8746      2.00000
      2      -0.4989      2.00000
      3       4.3001      2.00000
      4       4.5517      2.00000
      5       8.2401      0.00000
      6       9.2979      0.00000
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      8      13.5367      0.00000
      9      14.8776      0.00000
     10      16.5187      0.00000
     11      17.4693      0.00000
     12      17.9582      0.00000
     13      18.8958      0.00000
     14      21.2793      0.00000
     15      23.7940      0.00000
     16      25.3283      0.00000

 k-point   116 :       0.1818    0.6364    0.0909
  band No.  band energies     occupation 
      1      -3.5071      2.00000
      2      -0.6774      2.00000
      3       3.2639      2.00000
      4       4.3059      2.00000
      5       8.7789      0.00000
      6       9.1670      0.00000
      7      10.8473      0.00000
      8      13.3844      0.00000
      9      14.9063      0.00000
     10      16.0290      0.00000
     11      17.3593      0.00000
     12      18.8300      0.00000
     13      19.8339      0.00000
     14      21.7084      0.00000
     15      24.0504      0.00000
     16      25.8494      0.00000

 k-point   117 :       0.2727   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.0274      2.00000
      2      -0.7429      2.00000
      3       2.2303      2.00000
      4       3.7847      2.00000
      5       8.5474      0.00000
      6      10.0654      0.00000
      7      12.3959      0.00000
      8      12.9425      0.00000
      9      13.4594      0.00000
     10      16.2012      0.00000
     11      18.3586      0.00000
     12      19.3248      0.00000
     13      22.0640      0.00000
     14      22.4466      0.00000
     15      23.6265      0.00000
     16      24.6380      0.00000

 k-point   118 :       0.3636   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -2.4724      2.00000
      2      -0.9818      2.00000
      3       1.7497      2.00000
      4       3.2929      2.00000
      5       8.0200      0.00000
      6      10.7256      0.00000
      7      11.8425      0.00000
      8      13.5131      0.00000
      9      14.2758      0.00000
     10      16.3295      0.00000
     11      19.3861      0.00000
     12      20.5097      0.00000
     13      21.9343      0.00000
     14      22.4101      0.00000
     15      23.5292      0.00000
     16      24.5217      0.00000

 k-point   119 :       0.4545   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -1.9234      2.00000
      2      -1.5426      2.00000
      3       2.0771      2.00000
      4       2.9629      2.00000
      5       7.6595      0.00000
      6       8.9367      0.00000
      7      13.6163      0.00000
      8      13.8574      0.00000
      9      15.9331      0.00000
     10      16.5662      0.00000
     11      19.2714      0.00000
     12      20.0702      0.00000
     13      21.8342      0.00000
     14      22.5568      0.00000
     15      22.9776      0.00000
     16      23.3682      0.00000

 k-point   120 :      -0.4545   -0.3636   -0.9091
  band No.  band energies     occupation 
      1      -2.4363      2.00000
      2      -1.1008      2.00000
      3       2.7632      2.00000
      4       2.8979      2.00000
      5       7.3677      0.00000
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      7      14.1185      0.00000
      8      15.6089      0.00000
      9      15.9922      0.00000
     10      17.5997      0.00000
     11      18.3003      0.00000
     12      19.8527      0.00000
     13      20.0678      0.00000
     14      21.7501      0.00000
     15      22.8705      0.00000
     16      24.2792      0.00000

 k-point   121 :      -0.1818   -0.3636    0.0909
  band No.  band energies     occupation 
      1      -3.9854      2.00000
      2       0.6475      2.00000
      3       2.8337      2.00000
      4       3.8786      2.00000
      5       8.1860      0.00000
      6       9.7791      0.00000
      7      10.8209      0.00000
      8      12.5403      0.00000
      9      15.5724      0.00000
     10      16.9371      0.00000
     11      18.1924      0.00000
     12      18.6927      0.00000
     13      20.4276      0.00000
     14      21.0049      0.00000
     15      22.6364      0.00000
     16      24.5076      0.00000

 k-point   122 :       0.0909   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.5578      2.00000
      2       0.7169      2.00000
      3       4.5914      2.00000
      4       4.6069      2.00000
      5       8.3696      0.00000
      6       9.3627      0.00000
      7      10.2076      0.00000
      8      12.2736      0.00000
      9      14.9941      0.00000
     10      15.0694      0.00000
     11      15.9043      0.00000
     12      19.7644      0.00000
     13      19.9215      0.00000
     14      21.4598      0.00000
     15      23.1593      0.00000
     16      23.6378      0.00000

 k-point   123 :       0.1818   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -4.1336      2.00000
      2       0.3223      2.00000
      3       3.3535      2.00000
      4       4.5355      2.00000
      5       8.7680      0.00000
      6       9.4197      0.00000
      7      10.9219      0.00000
      8      11.8820      0.00000
      9      14.7922      0.00000
     10      15.9912      0.00000
     11      17.9359      0.00000
     12      18.1323      0.00000
     13      20.4813      0.00000
     14      21.5821      0.00000
     15      23.1192      0.00000
     16      24.1885      0.00000

 k-point   124 :       0.2727   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.5405      2.00000
      2      -0.0465      2.00000
      3       2.2136      2.00000
      4       4.0969      2.00000
      5       8.9245      0.00000
      6       9.8736      0.00000
      7      11.7059      0.00000
      8      12.3244      0.00000
      9      14.6645      0.00000
     10      14.9636      0.00000
     11      18.5620      0.00000
     12      20.4388      0.00000
     13      20.8479      0.00000
     14      21.3997      0.00000
     15      23.8913      0.00000
     16      24.1322      0.00000

 k-point   125 :       0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.8540      2.00000
      2      -0.6001      2.00000
      3       1.6500      2.00000
      4       3.6310      2.00000
      5       8.4022      0.00000
      6      11.1778      0.00000
      7      11.9506      0.00000
      8      12.8411      0.00000
      9      13.7865      0.00000
     10      14.9597      0.00000
     11      20.3816      0.00000
     12      20.8622      0.00000
     13      20.9076      0.00000
     14      22.8515      0.00000
     15      22.9749      0.00000
     16      24.0336      0.00000

 k-point   126 :       0.4545   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.4409      2.00000
      2      -1.0373      2.00000
      3       1.7657      2.00000
      4       3.3038      2.00000
      5       8.0154      0.00000
      6      10.7377      0.00000
      7      11.8905      0.00000
      8      13.4694      0.00000
      9      14.2469      0.00000
     10      16.3442      0.00000
     11      19.3671      0.00000
     12      20.5469      0.00000
     13      21.9378      0.00000
     14      22.3285      0.00000
     15      23.4990      0.00000
     16      24.6378      0.00000

 k-point   127 :       0.5455   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -2.9316      2.00000
      2      -0.5246      2.00000
      3       2.3057      2.00000
      4       3.1917      2.00000
      5       7.7926      0.00000
      6       9.1448      0.00000
      7      12.2003      0.00000
      8      14.3430      0.00000
      9      15.4629      0.00000
     10      17.4127      0.00000
     11      18.3188      0.00000
     12      20.1650      0.00000
     13      20.7543      0.00000
     14      21.4244      0.00000
     15      23.4033      0.00000
     16      23.9389      0.00000

 k-point   128 :      -0.3636   -0.2727    0.0909
  band No.  band energies     occupation 
      1      -3.6367      2.00000
      2       0.3203      2.00000
      3       2.9651      2.00000
      4       3.3853      2.00000
      5       7.4454      0.00000
      6       8.3000      0.00000
      7      12.5673      0.00000
      8      13.9640      0.00000
      9      16.3218      0.00000
     10      17.4619      0.00000
     11      18.1204      0.00000
     12      19.4892      0.00000
     13      20.3882      0.00000
     14      21.0364      0.00000
     15      22.4650      0.00000
     16      23.1543      0.00000

 k-point   129 :       0.0909   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -5.1919      2.00000
      2       2.2541      2.00000
      3       4.7790      2.00000
      4       4.9974      2.00000
      5       8.4974      0.00000
      6       9.3846      0.00000
      7      10.2944      0.00000
      8      11.4760      0.00000
      9      14.0161      0.00000
     10      14.1264      0.00000
     11      15.6945      0.00000
     12      18.0600      0.00000
     13      20.0535      0.00000
     14      21.2274      0.00000
     15      23.3607      0.00000
     16      24.0112      0.00000

 k-point   130 :       0.1818   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.8053      2.00000
      2       1.6933      2.00000
      3       3.6034      2.00000
      4       4.8975      2.00000
      5       8.7151      0.00000
      6       9.6942      0.00000
      7      10.8120      0.00000
      8      11.0085      0.00000
      9      13.7003      0.00000
     10      16.1478      0.00000
     11      16.5290      0.00000
     12      18.4974      0.00000
     13      20.0950      0.00000
     14      21.5806      0.00000
     15      22.2257      0.00000
     16      24.3600      0.00000

 k-point   131 :       0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.2299      2.00000
      2       0.9455      2.00000
      3       2.6004      2.00000
      4       4.5294      2.00000
      5       9.3864      0.00000
      6       9.4915      0.00000
      7      10.7502      0.00000
      8      11.8769      0.00000
      9      13.7032      0.00000
     10      16.6949      0.00000
     11      18.2996      0.00000
     12      18.6472      0.00000
     13      19.7385      0.00000
     14      22.0857      0.00000
     15      22.4813      0.00000
     16      25.1081      0.00000

 k-point   132 :       0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.5312      2.00000
      2      -0.0787      2.00000
      3       2.2280      2.00000
      4       4.1055      2.00000
      5       8.9194      0.00000
      6       9.9385      0.00000
      7      11.6553      0.00000
      8      12.3136      0.00000
      9      14.6261      0.00000
     10      14.9973      0.00000
     11      18.6059      0.00000
     12      20.4401      0.00000
     13      20.8278      0.00000
     14      21.3344      0.00000
     15      23.8473      0.00000
     16      24.1843      0.00000

 k-point   133 :       0.4545   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -2.9955      2.00000
      2      -0.8115      2.00000
      3       2.2478      2.00000
      4       3.8073      2.00000
      5       8.5386      0.00000
      6      10.1411      0.00000
      7      12.4083      0.00000
      8      12.8936      0.00000
      9      13.4099      0.00000
     10      16.2116      0.00000
     11      18.3961      0.00000
     12      19.3043      0.00000
     13      21.9832      0.00000
     14      22.4132      0.00000
     15      23.6190      0.00000
     16      24.6305      0.00000

 k-point   134 :       0.5455   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.2745      2.00000
      2      -0.4530      2.00000
      3       2.4828      2.00000
      4       3.7247      2.00000
      5       8.3145      0.00000
      6      10.4073      0.00000
      7      11.2088      0.00000
      8      12.5257      0.00000
      9      15.1946      0.00000
     10      16.8819      0.00000
     11      17.9493      0.00000
     12      19.2535      0.00000
     13      20.1110      0.00000
     14      22.6973      0.00000
     15      24.1587      0.00000
     16      24.8361      0.00000

 k-point   135 :      -0.3636   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -3.9748      2.00000
      2       0.5888      2.00000
      3       2.8700      2.00000
      4       3.8981      2.00000
      5       8.1789      0.00000
      6       9.7801      0.00000
      7      10.8486      0.00000
      8      12.5721      0.00000
      9      15.5218      0.00000
     10      16.9086      0.00000
     11      18.1383      0.00000
     12      18.7138      0.00000
     13      20.4274      0.00000
     14      21.0243      0.00000
     15      22.6395      0.00000
     16      24.4960      0.00000

 k-point   136 :      -0.2727   -0.1818    0.0909
  band No.  band energies     occupation 
      1      -4.6114      2.00000
      2       1.6950      2.00000
      3       3.4545      2.00000
      4       4.2307      2.00000
      5       7.8160      0.00000
      6       9.3568      0.00000
      7      11.1693      0.00000
      8      12.1810      0.00000
      9      14.6772      0.00000
     10      16.1979      0.00000
     11      17.6886      0.00000
     12      18.7086      0.00000
     13      20.0758      0.00000
     14      21.5306      0.00000
     15      21.5624      0.00000
     16      23.8635      0.00000

 k-point   137 :       0.0909   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.6540      2.00000
      2       3.9050      2.00000
      3       5.0998      2.00000
      4       5.3790      2.00000
      5       8.3447      0.00000
      6       9.4279      0.00000
      7       9.9482      0.00000
      8      11.1683      0.00000
      9      12.7929      0.00000
     10      13.9237      0.00000
     11      15.5535      0.00000
     12      17.2153      0.00000
     13      18.5625      0.00000
     14      19.4216      0.00000
     15      23.9847      0.00000
     16      25.7349      0.00000

 k-point   138 :       0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3286      2.00000
      2       3.0307      2.00000
      3       4.1774      2.00000
      4       5.2288      2.00000
      5       8.4050      0.00000
      6       9.7924      0.00000
      7      10.4966      0.00000
      8      10.8588      0.00000
      9      13.2043      0.00000
     10      14.5865      0.00000
     11      16.4251      0.00000
     12      17.6553      0.00000
     13      18.8556      0.00000
     14      20.8108      0.00000
     15      23.4182      0.00000
     16      25.1220      0.00000

 k-point   139 :       0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.8027      2.00000
      2       1.6682      2.00000
      3       3.6188      2.00000
      4       4.9017      2.00000
      5       8.7502      0.00000
      6       9.7206      0.00000
      7      10.7872      0.00000
      8      10.9712      0.00000
      9      13.6979      0.00000
     10      16.1358      0.00000
     11      16.5512      0.00000
     12      18.5045      0.00000
     13      20.0861      0.00000
     14      21.5400      0.00000
     15      22.2641      0.00000
     16      24.3406      0.00000

 k-point   140 :       0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1236      2.00000
      2       0.2821      2.00000
      3       3.3632      2.00000
      4       4.5536      2.00000
      5       8.8127      0.00000
      6       9.4531      0.00000
      7      10.9121      0.00000
      8      11.8091      0.00000
      9      14.7998      0.00000
     10      15.9871      0.00000
     11      17.9136      0.00000
     12      18.1712      0.00000
     13      20.4934      0.00000
     14      21.5248      0.00000
     15      23.0909      0.00000
     16      24.1818      0.00000

 k-point   141 :      -0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.4794      2.00000
      2      -0.7410      2.00000
      3       3.2610      2.00000
      4       4.3463      2.00000
      5       8.8050      0.00000
      6       9.2137      0.00000
      7      10.8329      0.00000
      8      13.3204      0.00000
      9      14.9222      0.00000
     10      15.9903      0.00000
     11      17.4173      0.00000
     12      18.7771      0.00000
     13      19.8455      0.00000
     14      21.6474      0.00000
     15      24.0390      0.00000
     16      25.8252      0.00000

 k-point   142 :       0.5455   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -3.4765      2.00000
      2      -0.7474      2.00000
      3       3.2559      2.00000
      4       4.3583      2.00000
      5       8.7884      0.00000
      6       9.2269      0.00000
      7      10.8323      0.00000
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      9      14.8966      0.00000
     10      16.0032      0.00000
     11      17.3732      0.00000
     12      18.8049      0.00000
     13      19.8095      0.00000
     14      21.6866      0.00000
     15      24.0509      0.00000
     16      25.8303      0.00000

 k-point   143 :      -0.3636   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.1194      2.00000
      2       0.2663      2.00000
      3       3.3523      2.00000
      4       4.5862      2.00000
      5       8.7821      0.00000
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      7      10.9089      0.00000
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     10      15.9743      0.00000
     11      17.8740      0.00000
     12      18.1440      0.00000
     13      20.5094      0.00000
     14      21.5629      0.00000
     15      23.1114      0.00000
     16      24.1654      0.00000

 k-point   144 :      -0.2727   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -4.7994      2.00000
      2       1.6401      2.00000
      3       3.6119      2.00000
      4       4.9494      2.00000
      5       8.7224      0.00000
      6       9.7326      0.00000
      7      10.7972      0.00000
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      9      13.6904      0.00000
     10      16.0917      0.00000
     11      16.5320      0.00000
     12      18.5278      0.00000
     13      20.1190      0.00000
     14      21.5191      0.00000
     15      22.2411      0.00000
     16      24.3244      0.00000

 k-point   145 :      -0.1818   -0.0909    0.0909
  band No.  band energies     occupation 
      1      -5.3264      2.00000
      2       2.9808      2.00000
      3       4.1873      2.00000
      4       5.2846      2.00000
      5       8.3931      0.00000
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      8      10.8714      0.00000
      9      13.1992      0.00000
     10      14.5382      0.00000
     11      16.4116      0.00000
     12      17.6972      0.00000
     13      18.8771      0.00000
     14      20.7851      0.00000
     15      23.3734      0.00000
     16      25.1272      0.00000

 k-point   146 :       0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.4697      2.00000
      2       3.7781      2.00000
      3       4.6619      2.00000
      4       4.7389      2.00000
      5       7.6443      0.00000
      6      10.2586      0.00000
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      8      10.7175      0.00000
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     10      14.4521      0.00000
     11      16.2368      0.00000
     12      18.3427      0.00000
     13      18.4470      0.00000
     14      19.0071      0.00000
     15      25.1494      0.00000
     16      25.4093      0.00000

 k-point   147 :       0.2727   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -5.0739      2.00000
      2       2.5820      2.00000
      3       4.2527      2.00000
      4       4.3851      2.00000
      5       7.7081      0.00000
      6       9.7856      0.00000
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      8      11.2932      0.00000
      9      14.3093      0.00000
     10      14.7828      0.00000
     11      17.0027      0.00000
     12      18.3899      0.00000
     13      19.2759      0.00000
     14      20.6511      0.00000
     15      23.3180      0.00000
     16      23.8284      0.00000

 k-point   148 :       0.3636   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.4878      2.00000
      2       1.1655      2.00000
      3       3.7192      2.00000
      4       4.1845      2.00000
      5       7.9669      0.00000
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      9      15.6330      0.00000
     10      16.0430      0.00000
     11      16.7301      0.00000
     12      19.5777      0.00000
     13      19.6660      0.00000
     14      21.3843      0.00000
     15      22.2239      0.00000
     16      23.6135      0.00000

 k-point   149 :       0.4545   -0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.7838      2.00000
      2      -0.1161      2.00000
      3       3.2377      2.00000
      4       4.1540      2.00000
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      6      10.5875      0.00000
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     10      16.9562      0.00000
     11      17.8540      0.00000
     12      17.9276      0.00000
     13      19.0745      0.00000
     14      22.4024      0.00000
     15      23.9365      0.00000
     16      24.3390      0.00000

 k-point   150 :      -0.4545    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.2720      2.00000
      2      -0.8656      2.00000
      3       2.8978      2.00000
      4       4.2922      2.00000
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     10      15.6626      0.00000
     11      17.6981      0.00000
     12      19.0122      0.00000
     13      19.8767      0.00000
     14      22.0324      0.00000
     15      25.0692      0.00000
     16      25.3531      0.00000

 k-point   151 :      -0.3636    0.0000    0.1818
  band No.  band energies     occupation 
      1      -3.5707      2.00000
      2      -0.4431      2.00000
      3       2.7425      2.00000
      4       4.5825      2.00000
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     10      14.8361      0.00000
     11      17.5587      0.00000
     12      20.0882      0.00000
     13      21.0376      0.00000
     14      21.4175      0.00000
     15      22.7529      0.00000
     16      25.1117      0.00000

 k-point   152 :      -0.2727    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.2696      2.00000
      2       0.7051      2.00000
      3       2.8259      2.00000
      4       4.9866      2.00000
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     10      16.3048      0.00000
     11      18.1512      0.00000
     12      18.2498      0.00000
     13      20.1417      0.00000
     14      22.2473      0.00000
     15      22.9408      0.00000
     16      23.9958      0.00000

 k-point   153 :      -0.1818    0.0000    0.1818
  band No.  band energies     occupation 
      1      -4.9052      2.00000
      2       1.9185      2.00000
      3       3.3213      2.00000
      4       5.4201      2.00000
      5       9.1470      0.00000
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     10      16.1937      0.00000
     11      16.8345      0.00000
     12      17.8587      0.00000
     13      19.9888      0.00000
     14      21.2228      0.00000
     15      22.7601      0.00000
     16      24.9625      0.00000

 k-point   154 :       0.1818    0.3636    0.1818
  band No.  band energies     occupation 
      1      -4.9147      2.00000
      2       2.0190      2.00000
      3       3.3040      2.00000
      4       5.3093      2.00000
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     10      16.2972      0.00000
     11      16.8703      0.00000
     12      17.7828      0.00000
     13      19.9177      0.00000
     14      21.3198      0.00000
     15      22.7844      0.00000
     16      24.9832      0.00000

 k-point   155 :       0.1818    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2869      2.00000
      2       0.7892      2.00000
      3       2.8295      2.00000
      4       4.8923      2.00000
      5       8.7134      0.00000
      6      10.3640      0.00000
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     10      16.3279      0.00000
     11      18.1552      0.00000
     12      18.3290      0.00000
     13      20.1403      0.00000
     14      22.2253      0.00000
     15      22.9075      0.00000
     16      24.0487      0.00000

 k-point   156 :       0.2727    0.4545    0.1818
  band No.  band energies     occupation 
      1      -4.2380      2.00000
      2       0.9934      2.00000
      3       2.5953      2.00000
      4       4.4834      2.00000
      5       9.3522      0.00000
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      8      11.8823      0.00000
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     10      16.7136      0.00000
     11      18.3277      0.00000
     12      18.6313      0.00000
     13      19.7617      0.00000
     14      22.0738      0.00000
     15      22.4743      0.00000
     16      25.1384      0.00000

 k-point   157 :      -0.1818   -0.5455    0.1818
  band No.  band energies     occupation 
      1      -2.6751      2.00000
      2      -0.7591      2.00000
      3       1.8706      2.00000
      4       3.0626      2.00000
      5       9.5170      0.00000
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      7      11.2229      0.00000
      8      13.1060      0.00000
      9      14.2873      0.00000
     10      16.9149      0.00000
     11      18.8543      0.00000
     12      20.2217      0.00000
     13      21.7514      0.00000
     14      22.7155      0.00000
     15      23.2401      0.00000
     16      24.9619      0.00000

 k-point   158 :       0.1818    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.6020      2.00000
      2      -0.3639      2.00000
      3       2.7643      2.00000
      4       4.5006      2.00000
      5       8.3173      0.00000
      6      10.4265      0.00000
      7      10.5831      0.00000
      8      13.8953      0.00000
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     10      14.8721      0.00000
     11      17.5600      0.00000
     12      20.1954      0.00000
     13      21.0102      0.00000
     14      21.3908      0.00000
     15      22.7612      0.00000
     16      25.1238      0.00000

 k-point   159 :       0.2727    0.5455    0.1818
  band No.  band energies     occupation 
      1      -3.5501      2.00000
      2      -0.0188      2.00000
      3       2.2245      2.00000
      4       4.0617      2.00000
      5       8.8821      0.00000
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      7      11.6901      0.00000
      8      12.3242      0.00000
      9      14.6619      0.00000
     10      14.9882      0.00000
     11      18.5696      0.00000
     12      20.4861      0.00000
     13      20.8320      0.00000
     14      21.3719      0.00000
     15      23.8619      0.00000
     16      24.1769      0.00000

 k-point   160 :       0.3636   -0.4545    0.1818
  band No.  band energies     occupation 
      1      -3.3353      2.00000
      2      -0.0157      2.00000
      3       2.1796      2.00000
      4       3.3466      2.00000
      5       9.1654      0.00000
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      7      10.4301      0.00000
      8      13.8561      0.00000
      9      15.1750      0.00000
     10      15.7353      0.00000
     11      19.7143      0.00000
     12      20.2916      0.00000
     13      20.4732      0.00000
     14      20.9114      0.00000
     15      23.0355      0.00000
     16      24.3237      0.00000

 k-point   161 :       0.1818    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.3084      2.00000
      2      -0.7928      2.00000
      3       2.9315      2.00000
      4       4.2186      2.00000
      5       8.0464      0.00000
      6      10.4505      0.00000
      7      10.7993      0.00000
      8      13.0822      0.00000
      9      15.2711      0.00000
     10      15.6730      0.00000
     11      17.7310      0.00000
     12      18.9821      0.00000
     13      19.8844      0.00000
     14      22.1079      0.00000
     15      25.0657      0.00000
     16      25.3146      0.00000

 k-point   162 :       0.2727    0.6364    0.1818
  band No.  band energies     occupation 
      1      -3.0323      2.00000
      2      -0.7362      2.00000
      3       2.2501      2.00000
      4       3.7623      2.00000
      5       8.5043      0.00000
      6      10.1137      0.00000
      7      12.4195      0.00000
      8      12.9467      0.00000
      9      13.4255      0.00000
     10      16.2010      0.00000
     11      18.3809      0.00000
     12      19.3006      0.00000
     13      22.0291      0.00000
     14      22.4787      0.00000
     15      23.6283      0.00000
     16      24.6168      0.00000

 k-point   163 :       0.3636   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.6892      2.00000
      2      -0.7357      2.00000
      3       1.8976      2.00000
      4       3.0225      2.00000
      5       9.4912      0.00000
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      9      14.3240      0.00000
     10      16.8840      0.00000
     11      18.8182      0.00000
     12      20.2171      0.00000
     13      21.7571      0.00000
     14      22.7641      0.00000
     15      23.2656      0.00000
     16      24.9337      0.00000

 k-point   164 :       0.4545   -0.3636    0.1818
  band No.  band energies     occupation 
      1      -2.2721      2.00000
      2      -1.0927      2.00000
      3       2.1337      2.00000
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      5       9.0708      0.00000
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     10      17.3273      0.00000
     11      18.7123      0.00000
     12      20.0547      0.00000
     13      21.8011      0.00000
     14      22.7873      0.00000
     15      23.2344      0.00000
     16      24.5430      0.00000

 k-point   165 :       0.1818   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -3.7987      2.00000
      2      -0.0731      2.00000
      3       3.2805      2.00000
      4       4.0851      2.00000
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      9      16.0562      0.00000
     10      17.0040      0.00000
     11      17.8666      0.00000
     12      17.9239      0.00000
     13      19.0469      0.00000
     14      22.4375      0.00000
     15      24.0378      0.00000
     16      24.3458      0.00000

 k-point   166 :       0.2727    0.7273    0.1818
  band No.  band energies     occupation 
      1      -3.2993      2.00000
      2      -0.3904      2.00000
      3       2.4882      2.00000
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     10      16.8834      0.00000
     11      17.9336      0.00000
     12      19.2467      0.00000
     13      20.1590      0.00000
     14      22.7062      0.00000
     15      24.2067      0.00000
     16      24.8252      0.00000

 k-point   167 :       0.3636    0.7273    0.1818
  band No.  band energies     occupation 
      1      -2.6789      2.00000
      2      -0.7562      2.00000
      3       1.8968      2.00000
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     10      16.8752      0.00000
     11      18.8169      0.00000
     12      20.2275      0.00000
     13      21.7814      0.00000
     14      22.7261      0.00000
     15      23.2503      0.00000
     16      24.9733      0.00000

 k-point   168 :       0.4545   -0.2727    0.1818
  band No.  band energies     occupation 
      1      -2.0434      2.00000
      2      -1.2937      2.00000
      3       1.8328      2.00000
      4       2.5542      2.00000
      5       9.4047      0.00000
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      9      15.8680      0.00000
     10      16.9669      0.00000
     11      19.0278      0.00000
     12      20.2291      0.00000
     13      21.8961      0.00000
     14      22.9466      0.00000
     15      24.4721      0.00000
     16      24.5910      0.00000

 k-point   169 :      -0.4545   -0.2727   -0.8182
  band No.  band energies     occupation 
      1      -2.2294      2.00000
      2      -1.1575      2.00000
      3       2.1168      2.00000
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      5       9.0437      0.00000
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     10      17.3278      0.00000
     11      18.6993      0.00000
     12      20.0657      0.00000
     13      21.9049      0.00000
     14      22.6607      0.00000
     15      23.2274      0.00000
     16      24.4904      0.00000

 k-point   170 :       0.1818   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -4.4922      2.00000
      2       1.1902      2.00000
      3       3.7702      2.00000
      4       4.1169      2.00000
      5       7.9057      0.00000
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     10      16.0369      0.00000
     11      16.7090      0.00000
     12      19.5665      0.00000
     13      19.6786      0.00000
     14      21.3804      0.00000
     15      22.2934      0.00000
     16      23.5882      0.00000

 k-point   171 :       0.2727   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.9848      2.00000
      2       0.6375      2.00000
      3       2.8713      2.00000
      4       3.8501      2.00000
      5       8.1593      0.00000
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     10      16.9257      0.00000
     11      18.1919      0.00000
     12      18.6816      0.00000
     13      20.4117      0.00000
     14      21.0503      0.00000
     15      22.6359      0.00000
     16      24.4982      0.00000

 k-point   172 :      -0.6364   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -3.3222      2.00000
      2      -0.0578      2.00000
      3       2.1791      2.00000
      4       3.3818      2.00000
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     10      15.7285      0.00000
     11      19.7498      0.00000
     12      20.2998      0.00000
     13      20.4533      0.00000
     14      20.8564      0.00000
     15      23.0419      0.00000
     16      24.3497      0.00000

 k-point   173 :      -0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6566      2.00000
      2      -0.7978      2.00000
      3       1.8875      2.00000
      4       3.0654      2.00000
      5       9.5421      0.00000
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     10      16.8883      0.00000
     11      18.8196      0.00000
     12      20.2548      0.00000
     13      21.7532      0.00000
     14      22.7006      0.00000
     15      23.2473      0.00000
     16      24.9136      0.00000

 k-point   174 :       0.5455   -0.1818    0.1818
  band No.  band energies     occupation 
      1      -2.6455      2.00000
      2      -0.8194      2.00000
      3       1.8876      2.00000
      4       3.0778      2.00000
      5       9.5073      0.00000
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     10      16.8778      0.00000
     11      18.8196      0.00000
     12      20.2644      0.00000
     13      21.7808      0.00000
     14      22.6642      0.00000
     15      23.2260      0.00000
     16      24.9571      0.00000

 k-point   175 :      -0.3636   -0.1818   -0.8182
  band No.  band energies     occupation 
      1      -3.3085      2.00000
      2      -0.1008      2.00000
      3       2.1806      2.00000
      4       3.4158      2.00000
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     10      15.7115      0.00000
     11      19.7871      0.00000
     12      20.3080      0.00000
     13      20.4287      0.00000
     14      20.8093      0.00000
     15      23.0429      0.00000
     16      24.3756      0.00000

 k-point   176 :       0.1818   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -5.0748      2.00000
      2       2.5940      2.00000
      3       4.3133      2.00000
      4       4.3153      2.00000
      5       7.6883      0.00000
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     10      14.7866      0.00000
     11      16.9806      0.00000
     12      18.3531      0.00000
     13      19.3699      0.00000
     14      20.6009      0.00000
     15      23.3095      0.00000
     16      23.8573      0.00000

 k-point   177 :       0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.6152      2.00000
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      3       3.4457      2.00000
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     10      16.2482      0.00000
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     13      20.0435      0.00000
     14      21.5273      0.00000
     15      21.6162      0.00000
     16      23.8908      0.00000

 k-point   178 :       0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.9803      2.00000
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      3       2.8546      2.00000
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     10      16.9384      0.00000
     11      18.1819      0.00000
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     13      20.4007      0.00000
     14      21.0070      0.00000
     15      22.6340      0.00000
     16      24.4801      0.00000

 k-point   179 :      -0.5455   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.2795      2.00000
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      3       2.4626      2.00000
      4       3.7285      2.00000
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     10      16.8877      0.00000
     11      17.9741      0.00000
     12      19.2314      0.00000
     13      20.1465      0.00000
     14      22.6646      0.00000
     15      24.1494      0.00000
     16      24.8572      0.00000

 k-point   180 :      -0.4545   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -2.9904      2.00000
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      3       2.2291      2.00000
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     10      16.2105      0.00000
     11      18.3742      0.00000
     12      19.3293      0.00000
     13      22.0187      0.00000
     14      22.3801      0.00000
     15      23.6196      0.00000
     16      24.6491      0.00000

 k-point   181 :      -0.3636   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -3.5213      2.00000
      2      -0.1067      2.00000
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     10      14.9630      0.00000
     11      18.5976      0.00000
     12      20.3932      0.00000
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     14      21.3635      0.00000
     15      23.8739      0.00000
     16      24.1425      0.00000

 k-point   182 :      -0.2727   -0.0909    0.1818
  band No.  band energies     occupation 
      1      -4.2216      2.00000
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      3       2.6070      2.00000
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      5       9.4333      0.00000
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     10      16.6746      0.00000
     11      18.2599      0.00000
     12      18.6772      0.00000
     13      19.7139      0.00000
     14      22.1022      0.00000
     15      22.4848      0.00000
     16      25.0794      0.00000

 k-point   183 :       0.2727    0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.7466      2.00000
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      3       3.9326      2.00000
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     10      15.2630      0.00000
     11      18.1412      0.00000
     12      19.3911      0.00000
     13      19.4970      0.00000
     14      20.2471      0.00000
     15      23.2360      0.00000
     16      23.2626      0.00000

 k-point   184 :       0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -4.2210      2.00000
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      3       3.3835      2.00000
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     10      16.3197      0.00000
     11      18.3521      0.00000
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     13      20.0385      0.00000
     14      21.0409      0.00000
     15      22.0537      0.00000
     16      23.0737      0.00000

 k-point   185 :       0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.5413      2.00000
      2       0.0930      2.00000
      3       2.6418      2.00000
      4       3.6960      2.00000
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     10      17.3789      0.00000
     11      17.9220      0.00000
     12      18.2201      0.00000
     13      19.9154      0.00000
     14      21.9330      0.00000
     15      22.9522      0.00000
     16      24.7016      0.00000

 k-point   186 :      -0.4545   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.8942      2.00000
      2      -0.7557      2.00000
      3       2.0616      2.00000
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     10      15.7570      0.00000
     11      19.3329      0.00000
     12      19.3807      0.00000
     13      20.1347      0.00000
     14      23.8966      0.00000
     15      23.9467      0.00000
     16      24.4923      0.00000

 k-point   187 :      -0.3636   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -2.9435      2.00000
      2      -0.6919      2.00000
      3       1.7755      2.00000
      4       4.0989      2.00000
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     10      14.0421      0.00000
     11      19.2919      0.00000
     12      21.4138      0.00000
     13      21.5462      0.00000
     14      22.2838      0.00000
     15      22.8659      0.00000
     16      24.1281      0.00000

 k-point   188 :      -0.2727   -0.0000    0.2727
  band No.  band energies     occupation 
      1      -3.6065      2.00000
      2       0.0865      2.00000
      3       1.9471      2.00000
      4       4.5174      2.00000
      5       8.3081      0.00000
      6      11.2838      0.00000
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     10      14.8845      0.00000
     11      19.3074      0.00000
     12      19.9104      0.00000
     13      20.5311      0.00000
     14      23.0410      0.00000
     15      23.3526      0.00000
     16      23.8530      0.00000

 k-point   189 :       0.2727    0.5455    0.2727
  band No.  band energies     occupation 
      1      -3.6351      2.00000
      2       0.1832      2.00000
      3       1.9450      2.00000
      4       4.4380      2.00000
      5       8.2290      0.00000
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     10      14.9149      0.00000
     11      19.2114      0.00000
     12      19.9701      0.00000
     13      20.6427      0.00000
     14      22.9751      0.00000
     15      23.4516      0.00000
     16      23.7988      0.00000

 k-point   190 :       0.2727    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.9893      2.00000
      2      -0.6005      2.00000
      3       1.7943      2.00000
      4       4.0301      2.00000
      5       7.7630      0.00000
      6      11.9432      0.00000
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     10      14.0342      0.00000
     11      19.2653      0.00000
     12      21.3752      0.00000
     13      21.5508      0.00000
     14      22.3098      0.00000
     15      23.0061      0.00000
     16      24.1506      0.00000

 k-point   191 :       0.3636    0.6364    0.2727
  band No.  band energies     occupation 
      1      -2.8768      2.00000
      2      -0.5531      2.00000
      3       1.6577      2.00000
      4       3.5962      2.00000
      5       8.3639      0.00000
      6      11.2022      0.00000
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     10      14.9611      0.00000
     11      20.3338      0.00000
     12      20.8569      0.00000
     13      20.9324      0.00000
     14      22.9355      0.00000
     15      22.9480      0.00000
     16      24.0736      0.00000

 k-point   192 :       0.2727    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.9271      2.00000
      2      -0.6968      2.00000
      3       2.0991      2.00000
      4       3.7514      2.00000
      5       7.4620      0.00000
      6      10.8658      0.00000
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     10      15.7357      0.00000
     11      19.3334      0.00000
     12      19.3513      0.00000
     13      20.1600      0.00000
     14      23.9338      0.00000
     15      23.9374      0.00000
     16      24.5020      0.00000

 k-point   193 :       0.3636    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.4821      2.00000
      2      -0.9712      2.00000
      3       1.7754      2.00000
      4       3.2673      2.00000
      5       7.9810      0.00000
      6      10.7719      0.00000
      7      11.8679      0.00000
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     10      16.3334      0.00000
     11      19.3753      0.00000
     12      20.5102      0.00000
     13      21.9704      0.00000
     14      22.3425      0.00000
     15      23.5160      0.00000
     16      24.5668      0.00000

 k-point   194 :       0.4545    0.7273    0.2727
  band No.  band energies     occupation 
      1      -2.0761      2.00000
      2      -1.2518      2.00000
      3       1.8518      2.00000
      4       2.5252      2.00000
      5       9.3662      0.00000
      6      10.7233      0.00000
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      8      11.5465      0.00000
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     10      16.9649      0.00000
     11      19.0334      0.00000
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     13      21.8450      0.00000
     14      22.9804      0.00000
     15      24.5300      0.00000
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 k-point   195 :       0.2727   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -3.5498      2.00000
      2       0.1137      2.00000
      3       2.6924      2.00000
      4       3.6367      2.00000
      5       7.3274      0.00000
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      9      17.2567      0.00000
     10      17.4264      0.00000
     11      17.8628      0.00000
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     14      21.9224      0.00000
     15      23.0458      0.00000
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 k-point   196 :       0.3636    0.8182    0.2727
  band No.  band energies     occupation 
      1      -2.9498      2.00000
      2      -0.4829      2.00000
      3       2.3181      2.00000
      4       3.1520      2.00000
      5       7.7644      0.00000
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     10      17.4203      0.00000
     11      18.3043      0.00000
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     13      20.7570      0.00000
     14      21.4067      0.00000
     15      23.3591      0.00000
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 k-point   197 :      -0.5455   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.2521      2.00000
      2      -1.1233      2.00000
      3       2.1230      2.00000
      4       2.5167      2.00000
      5       9.0509      0.00000
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     10      17.3283      0.00000
     11      18.7053      0.00000
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     13      21.8519      0.00000
     14      22.7246      0.00000
     15      23.2333      0.00000
     16      24.5191      0.00000

 k-point   198 :      -0.4545   -0.1818    0.2727
  band No.  band energies     occupation 
      1      -2.0078      2.00000
      2      -1.3381      2.00000
      3       1.8149      2.00000
      4       2.5816      2.00000
      5       9.4443      0.00000
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      9      15.8649      0.00000
     10      16.9674      0.00000
     11      19.0232      0.00000
     12      20.2343      0.00000
     13      21.9516      0.00000
     14      22.9086      0.00000
     15      24.4998      0.00000
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 k-point   199 :       0.2727   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -4.2223      2.00000
      2       1.1627      2.00000
      3       3.4415      2.00000
      4       3.6983      2.00000
      5       7.1527      0.00000
      6       8.5620      0.00000
      7      12.6222      0.00000
      8      12.7699      0.00000
      9      16.0343      0.00000
     10      16.3216      0.00000
     11      18.3123      0.00000
     12      19.5744      0.00000
     13      20.0216      0.00000
     14      21.0341      0.00000
     15      22.1013      0.00000
     16      23.0593      0.00000

 k-point   200 :       0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -3.6430      2.00000
      2       0.3482      2.00000
      3       2.9586      2.00000
      4       3.3629      2.00000
      5       7.4539      0.00000
      6       8.3002      0.00000
      7      12.5309      0.00000
      8      13.9659      0.00000
      9      16.3367      0.00000
     10      17.4963      0.00000
     11      18.1582      0.00000
     12      19.4720      0.00000
     13      20.3942      0.00000
     14      21.0114      0.00000
     15      22.4696      0.00000
     16      23.1197      0.00000

 k-point   201 :      -0.5455   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.9389      2.00000
      2      -0.5020      2.00000
      3       2.2743      2.00000
      4       3.2029      2.00000
      5       7.8329      0.00000
      6       9.1102      0.00000
      7      12.1653      0.00000
      8      14.3383      0.00000
      9      15.5019      0.00000
     10      17.4275      0.00000
     11      18.3235      0.00000
     12      20.1729      0.00000
     13      20.7725      0.00000
     14      21.4116      0.00000
     15      23.3522      0.00000
     16      23.9528      0.00000

 k-point   202 :      -0.4545   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.4314      2.00000
      2      -1.0469      2.00000
      3       1.7402      2.00000
      4       3.3281      2.00000
      5       8.0550      0.00000
      6      10.6923      0.00000
      7      11.8643      0.00000
      8      13.4847      0.00000
      9      14.2665      0.00000
     10      16.3391      0.00000
     11      19.3787      0.00000
     12      20.5463      0.00000
     13      21.9041      0.00000
     14      22.3952      0.00000
     15      23.5133      0.00000
     16      24.5923      0.00000

 k-point   203 :      -0.3636   -0.0909    0.2727
  band No.  band energies     occupation 
      1      -2.8306      2.00000
      2      -0.6473      2.00000
      3       1.6431      2.00000
      4       3.6643      2.00000
      5       8.4413      0.00000
      6      11.1556      0.00000
      7      11.9495      0.00000
      8      12.8055      0.00000
      9      13.8010      0.00000
     10      14.9548      0.00000
     11      20.4313      0.00000
     12      20.8713      0.00000
     13      20.8789      0.00000
     14      22.8476      0.00000
     15      22.9164      0.00000
     16      24.0028      0.00000

 k-point   204 :       0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.7558      2.00000
      2       0.4881      2.00000
      3       3.4198      2.00000
      4       3.4748      2.00000
      5       6.6637      0.00000
      6       7.6790      0.00000
      7      14.0033      0.00000
      8      14.0037      0.00000
      9      16.3945      0.00000
     10      16.8329      0.00000
     11      19.3751      0.00000
     12      19.4227      0.00000
     13      19.8173      0.00000
     14      21.6582      0.00000
     15      21.9257      0.00000
     16      22.9110      0.00000

 k-point   205 :       0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -3.1180      2.00000
      2      -0.3454      2.00000
      3       2.8660      2.00000
      4       3.3674      2.00000
      5       6.8969      0.00000
      6       7.6804      0.00000
      7      14.3115      0.00000
      8      14.3613      0.00000
      9      17.5841      0.00000
     10      17.8638      0.00000
     11      17.9637      0.00000
     12      18.3445      0.00000
     13      20.9135      0.00000
     14      21.2951      0.00000
     15      21.9615      0.00000
     16      24.0600      0.00000

 k-point   206 :      -0.4545   -0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.4116      2.00000
      2      -1.0950      2.00000
      3       2.0620      2.00000
      4       3.4436      2.00000
      5       7.0755      0.00000
      6       8.8903      0.00000
      7      13.9996      0.00000
      8      14.2408      0.00000
      9      15.9460      0.00000
     10      16.0143      0.00000
     11      19.5053      0.00000
     12      20.0788      0.00000
     13      21.5586      0.00000
     14      21.5911      0.00000
     15      22.3722      0.00000
     16      24.3980      0.00000

 k-point   207 :      -0.3636    0.0000    0.3636
  band No.  band energies     occupation 
      1      -2.3169      2.00000
      2      -1.1639      2.00000
      3       1.5681      2.00000
      4       3.6964      2.00000
      5       7.3633      0.00000
      6      10.6362      0.00000
      7      13.3110      0.00000
      8      13.9318      0.00000
      9      14.2312      0.00000
     10      14.3812      0.00000
     11      21.1264      0.00000
     12      21.3749      0.00000
     13      21.8051      0.00000
     14      21.8649      0.00000
     15      22.0441      0.00000
     16      23.8858      0.00000

 k-point   208 :       0.3636    0.7273    0.3636
  band No.  band energies     occupation 
      1      -2.3862      2.00000
      2      -1.0685      2.00000
      3       1.6033      2.00000
      4       3.6360      2.00000
      5       7.2888      0.00000
      6      10.7106      0.00000
      7      13.3875      0.00000
      8      13.8722      0.00000
      9      14.2663      0.00000
     10      14.3342      0.00000
     11      21.0930      0.00000
     12      21.2905      0.00000
     13      21.8371      0.00000
     14      21.9188      0.00000
     15      22.1132      0.00000
     16      23.7412      0.00000

 k-point   209 :       0.3636    0.8182    0.3636
  band No.  band energies     occupation 
      1      -2.4407      2.00000
      2      -1.0573      2.00000
      3       2.1122      2.00000
      4       3.3878      2.00000
      5       7.0030      0.00000
      6       8.9586      0.00000
      7      14.0347      0.00000
      8      14.2315      0.00000
      9      15.9316      0.00000
     10      15.9974      0.00000
     11      19.4790      0.00000
     12      20.1491      0.00000
     13      21.5191      0.00000
     14      21.6129      0.00000
     15      22.3037      0.00000
     16      24.4104      0.00000

 k-point   210 :       0.4545    0.8182    0.3636
  band No.  band energies     occupation 
      1      -1.9654      2.00000
      2      -1.4963      2.00000
      3       2.1022      2.00000
      4       2.9339      2.00000
      5       7.6243      0.00000
      6       8.9714      0.00000
      7      13.6313      0.00000
      8      13.8475      0.00000
      9      15.9332      0.00000
     10      16.5591      0.00000
     11      19.2714      0.00000
     12      20.0802      0.00000
     13      21.8391      0.00000
     14      22.5269      0.00000
     15      22.9420      0.00000
     16      23.4071      0.00000

 k-point   211 :       0.3636   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -3.1211      2.00000
      2      -0.3407      2.00000
      3       2.9207      2.00000
      4       3.3133      2.00000
      5       6.8449      0.00000
      6       7.7299      0.00000
      7      14.3222      0.00000
      8      14.3587      0.00000
      9      17.5875      0.00000
     10      17.7944      0.00000
     11      17.9586      0.00000
     12      18.4137      0.00000
     13      20.8898      0.00000
     14      21.3148      0.00000
     15      21.9511      0.00000
     16      24.1053      0.00000

 k-point   212 :      -0.5455   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -2.4473      2.00000
      2      -1.0824      2.00000
      3       2.7581      2.00000
      4       2.8929      2.00000
      5       7.3715      0.00000
      6       7.6468      0.00000
      7      14.0864      0.00000
      8      15.5992      0.00000
      9      16.0402      0.00000
     10      17.5960      0.00000
     11      18.3041      0.00000
     12      19.8364      0.00000
     13      20.1313      0.00000
     14      21.6989      0.00000
     15      22.8316      0.00000
     16      24.3099      0.00000

 k-point   213 :      -0.4545   -0.0909    0.3636
  band No.  band energies     occupation 
      1      -1.8787      2.00000
      2      -1.5900      2.00000
      3       2.0514      2.00000
      4       2.9906      2.00000
      5       7.6954      0.00000
      6       8.9021      0.00000
      7      13.6084      0.00000
      8      13.8601      0.00000
      9      15.9336      0.00000
     10      16.5715      0.00000
     11      19.2716      0.00000
     12      20.0587      0.00000
     13      21.8382      0.00000
     14      22.5873      0.00000
     15      23.0141      0.00000
     16      23.3255      0.00000

 k-point   214 :       0.4545    0.0000    0.4545
  band No.  band energies     occupation 
      1      -2.5243      2.00000
      2      -1.0877      2.00000
      3       3.1574      2.00000
      4       3.2094      2.00000
      5       6.6101      0.00000
      6       6.9417      0.00000
      7      15.7457      0.00000
      8      15.7523      0.00000
      9      17.7509      0.00000
     10      17.7566      0.00000
     11      17.8395      0.00000
     12      18.6476      0.00000
     13      19.6029      0.00000
     14      19.9736      0.00000
     15      24.0558      0.00000
     16      24.9469      0.00000

 k-point   215 :      -0.4545   -0.0000    0.4545
  band No.  band energies     occupation 
      1      -1.8129      2.00000
      2      -1.7960      2.00000
      3       2.6965      2.00000
      4       3.2356      2.00000
      5       6.8305      0.00000
      6       7.3620      0.00000
      7      15.6663      0.00000
      8      15.9904      0.00000
      9      16.3529      0.00000
     10      16.4644      0.00000
     11      19.3630      0.00000
     12      19.3950      0.00000
     13      19.7082      0.00000
     14      20.3816      0.00000
     15      24.1928      0.00000
     16      24.4267      0.00000

 k-point   216 :       0.4545    0.9091    0.4545
  band No.  band energies     occupation 
      1      -1.9065      2.00000
      2      -1.7011      2.00000
      3       2.7499      2.00000
      4       3.1830      2.00000
      5       6.7588      0.00000
      6       7.4311      0.00000
      7      15.7145      0.00000
      8      15.9901      0.00000
      9      16.3282      0.00000
     10      16.4256      0.00000
     11      19.2792      0.00000
     12      19.4792      0.00000
     13      19.8566      0.00000
     14      20.2407      0.00000
     15      24.0976      0.00000
     16      24.5076      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 18.388  -0.001  -0.000  -0.000  -0.001   0.000   0.000   0.000
 -0.001   0.006   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   4.176  -0.000  -0.000  -0.005   0.000   0.000
 -0.000   0.000  -0.000   4.176  -0.000   0.000  -0.005   0.000
 -0.001   0.000  -0.000  -0.000   4.176   0.000   0.000  -0.005
  0.000  -0.000  -0.005   0.000   0.000   0.005  -0.000  -0.000
  0.000  -0.000   0.000  -0.005   0.000  -0.000   0.005  -0.000
  0.000  -0.000   0.000   0.000  -0.005  -0.000  -0.000   0.005
 total augmentation occupancy for first ion, spin component:           1
  1.489  -0.821   0.000   0.000  -0.003   0.000   0.000   0.005
 -0.821   0.831  -0.000   0.000   0.007  -0.000   0.000  -0.007
  0.000  -0.000   1.046  -0.005  -0.000  -0.589   0.007   0.000
  0.000   0.000  -0.005   1.046   0.000   0.007  -0.589  -0.000
 -0.003   0.007  -0.000   0.000   1.046   0.000  -0.000  -0.589
 -0.000   0.000  -0.589   0.007   0.000   0.391  -0.007  -0.000
  0.000   0.000   0.007  -0.589  -0.000  -0.007   0.391   0.000
  0.005  -0.007   0.000  -0.000  -0.589  -0.000   0.000   0.391


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    0.0330: real time    0.0341
    FORLOC:  cpu time    0.0000: real time    0.0002
    FORNL :  cpu time    0.0150: real time    0.0147
    STRESS:  cpu time    0.2230: real time    0.2230
    FORCOR:  cpu time    0.0040: real time    0.0039
    FORHAR:  cpu time    0.0010: real time    0.0007
    MIXING:  cpu time    0.0000: real time    0.0002
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.44082     3.44082     3.44082
  Ewald     -76.77295   -76.75573   -76.75573    -0.00000    -1.19668     0.00000
  Hartree     4.88312     4.88403     4.88403     0.00000    -0.12951     0.00000
  E(xc)     -25.50507   -25.50533   -25.50533    -0.00000     0.01108    -0.00000
  Local     -28.91959   -28.93736   -28.93736     0.00001     1.24775     0.00001
  n-local    78.30727    76.39675    80.22895    -0.10470    -0.25829     1.99793
  augment   -11.66290   -11.66319   -11.66319    -0.00001     0.01143    -0.00001
  Kinetic    57.26176    57.03849    57.48243     0.08413     0.14976     2.51662
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       1.03247     1.03656     1.03656     0.00000    -0.16450    -0.00000
  in kB      42.27042    42.43767    42.43767     0.00000    -6.73471    -0.00000
  external pressure =       42.38 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :       39.13
      direct lattice vectors                 reciprocal lattice vectors
     2.694680000  2.694680000  0.000000000     0.185550789  0.185550789 -0.185550789
     0.000000000  2.694680000  2.694680000    -0.185550789  0.185550789  0.185550789
     2.694680000  0.000000000  2.694680000     0.185550789 -0.185550789  0.185550789

  length of vectors
     3.810853002  3.810853002  3.810853002     0.321383394  0.321383394  0.321383394


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.372E+00 0.131E-06 0.117E-06   0.370E+00 0.328E-14 0.181E-16   0.215E+00 0.409E-16 0.301E-16   0.636E-03 -.114E-06 -.102E-06
   0.372E+00 -.177E-06 -.157E-06   -.370E+00 -.360E-14 0.758E-16   -.215E+00 -.126E-16 0.315E-16   0.125E-03 0.223E-07 0.103E-07
 -----------------------------------------------------------------------------------------------
   0.247E-06 -.454E-07 -.400E-07   0.777E-15 -.320E-15 0.939E-16   0.111E-15 0.283E-16 0.617E-16   0.761E-03 -.916E-07 -.916E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.01500      0.00000      0.00000         0.213267     -0.000000     -0.000000
      1.34734      1.34734      1.34734        -0.213267      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000761     -0.000000     -0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.82329600 eV

  energy  without entropy=      -10.82329600  energy(sigma->0) =      -10.82329600
 
 d Force =-0.1186736E-05[-0.640E-02, 0.640E-02]  d Energy =-0.1168206E-07-0.118E-05
 d Force = 0.1647987E-16[-0.111E-01, 0.111E-01]  d Ewald  = 0.0000000E+00 0.000E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.0050: real time    0.0055


--------------------------------------------------------------------------------------------------------


 Finite differences progress:
  Degree of freedom:   7/  7
  Displacement:        2/  2
  Total:              14/ 14


--------------------------------------------------------------------------------------------------------



  ELASTIC MODULI  (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX        1674.0702    704.1998    704.1998     -0.0000      0.0000      0.0000
 YY         705.0238   1674.8491    705.0238     -0.0000     -0.0000      0.0000
 ZZ         704.9935    704.9935   1674.8165      0.0000     -0.0000      0.0000
 XY           0.8226      0.8798      1.2896   1122.5901     -0.0000      0.0000
 YZ          -0.0078     -0.0495      0.0147      0.0000   1123.0829     -0.0000
 ZX          -0.0292     -0.0532     -0.2197     -0.0000      0.0000   1122.3147
 --------------------------------------------------------------------------------


  SYMMETRIZED ELASTIC MODULI (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX        1674.5786    704.7390    704.7390     -0.0000      0.0000      0.0000
 YY         704.7390   1674.5786    704.7390     -0.0000      0.0000      0.0000
 ZZ         704.7390    704.7390   1674.5786     -0.0000     -0.0000      0.0000
 XY          -0.0000     -0.0000     -0.0000   1122.6622      0.0000     -0.0000
 YZ           0.0000      0.0000     -0.0000      0.0000   1122.6622     -0.0000
 ZX           0.0000      0.0000      0.0000     -0.0000     -0.0000   1122.6622
 --------------------------------------------------------------------------------

 INTERNAL STRAIN TENSORS FROM STRAINED CELLS
 ============================================

 INTERNAL STRAIN TENSOR FOR ION    1 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -0.00000     0.00000     0.00000    -0.00000    10.98114    -0.00000
  y    -0.00000     0.00000     0.00000    -0.00000     0.00000    10.97928
  z    -0.00000     0.00000     0.00000    10.98039    -0.00000    -0.00000

 INTERNAL STRAIN TENSOR FOR ION    2 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000    -0.00000    -0.00000     0.00000   -10.98114     0.00000
  y     0.00000    -0.00000    -0.00000     0.00000    -0.00000   -10.97928
  z     0.00000    -0.00000    -0.00000   -10.98039     0.00000     0.00000
 
 INTERNAL STRAIN TENSORS FROM DISPLACED ATOMS
 ============================================

 INTERNAL STRAIN TENSOR FOR ION    1 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000    -0.00000     0.00000    10.97416    -0.00000
  y     0.00000     0.00000     0.00000     0.00000    -0.00000    10.97416
  z    -0.00000    -0.00000     0.00000    10.97416     0.00000    -0.00000

 INTERNAL STRAIN TENSOR FOR ION    2 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -0.00000    -0.00000     0.00000    -0.00000   -10.97416     0.00000
  y    -0.00000    -0.00000    -0.00000    -0.00000     0.00000   -10.97416
  z     0.00000     0.00000    -0.00000   -10.97416    -0.00000     0.00000


--------------------------------------------------------------------------------------------------------


 
 Eigenvectors and eigenvalues of the dynamical matrix
 ----------------------------------------------------
 
 
   1 f  =   15.729112 THz    98.828925 2PiTHz  524.666683 cm-1    65.050401 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.707107  
      1.347340  1.347340  1.347340    -0.000000    0.000000   -0.707107  
 
   2 f  =   15.729112 THz    98.828925 2PiTHz  524.666683 cm-1    65.050401 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.707107   -0.000000   -0.000000  
      1.347340  1.347340  1.347340    -0.707107    0.000000    0.000000  
 
   3 f  =   15.729112 THz    98.828925 2PiTHz  524.666683 cm-1    65.050401 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.707107    0.000000  
      1.347340  1.347340  1.347340    -0.000000   -0.707107    0.000000  
 
   4 f  =    0.000000 THz     0.000001 2PiTHz    0.000005 cm-1     0.000001 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.707107   -0.000000    0.000000  
      1.347340  1.347340  1.347340     0.707107   -0.000000    0.000000  
 
   5 f  =    0.000000 THz     0.000000 2PiTHz    0.000000 cm-1     0.000000 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.000000    0.707107    0.000000  
      1.347340  1.347340  1.347340     0.000000    0.707107    0.000000  
 
   6 f  =    0.000000 THz     0.000000 2PiTHz    0.000000 cm-1     0.000000 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.707107  
      1.347340  1.347340  1.347340    -0.000000    0.000000    0.707107  
 


--------------------------------------------------------------------------------------------------------



 ELASTIC MODULI CONTR FROM IONIC RELAXATION (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX          -0.0000     -0.0000     -0.0000      0.0000     -0.0000     -0.0000
 YY          -0.0000     -0.0000      0.0000      0.0000     -0.0000     -0.0000
 ZZ          -0.0000      0.0000     -0.0000     -0.0000      0.0000     -0.0000
 XY           0.0000      0.0000     -0.0000   -346.8568     -0.0000      0.0000
 YZ          -0.0000     -0.0000      0.0000     -0.0000   -346.8568      0.0000
 ZX          -0.0000     -0.0000     -0.0000      0.0000      0.0000   -346.8568
 --------------------------------------------------------------------------------


 TOTAL ELASTIC MODULI (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX        1674.5786    704.7390    704.7390     -0.0000      0.0000      0.0000
 YY         704.7390   1674.5786    704.7390     -0.0000      0.0000      0.0000
 ZZ         704.7390    704.7390   1674.5786     -0.0000     -0.0000      0.0000
 XY          -0.0000     -0.0000     -0.0000    775.8054      0.0000     -0.0000
 YZ           0.0000      0.0000     -0.0000      0.0000    775.8054     -0.0000
 ZX           0.0000      0.0000      0.0000     -0.0000     -0.0000    775.8054
 --------------------------------------------------------------------------------



--------------------------------------------------------------------------------------------------------


  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.3893600000
  
  Lattice vectors:
  
 A1 = (   2.6946800000,   2.6946800000,   0.0000000000)
 A2 = (   0.0000000000,   2.6946800000,   2.6946800000)
 A3 = (   2.6946800000,   0.0000000000,   2.6946800000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 24 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    4    -1.000000    90.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
    6    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     0.000000     1.000000    -0.000000     0.000000     0.000000     0.000000
    8     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
    9     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   10    -1.000000    90.000000    -0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   11    -1.000000    90.000000    -0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.000000    -0.707107    -0.707107     0.000000     0.000000     0.000000
   13     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   14     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   15     1.000000   180.000000     0.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000
   16    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   17    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   18    -1.000000    90.000000     0.000000    -0.000000     1.000000     0.000000     0.000000     0.000000
   19     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   20     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   21     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   22    -1.000000   180.000000     0.707107    -0.707107    -0.000000     0.000000     0.000000     0.000000
   23    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   25    -1.000000     0.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   26    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   27    -1.000000   120.000000     0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   28     1.000000    90.000000    -0.000000    -1.000000     0.000000     0.250000     0.250000     0.250000
   29     1.000000   180.000000     0.707107     0.707107     0.000000     0.250000     0.250000     0.250000
   30     1.000000    90.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   31    -1.000000   180.000000     0.000000     1.000000    -0.000000     0.250000     0.250000     0.250000
   32    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   33    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   34     1.000000    90.000000    -0.000000     1.000000     0.000000     0.250000     0.250000     0.250000
   35     1.000000    90.000000    -0.000000     0.000000    -1.000000     0.250000     0.250000     0.250000
   36     1.000000   180.000000     0.000000    -0.707107    -0.707107     0.250000     0.250000     0.250000
   37    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   38    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   39    -1.000000   180.000000     0.000000    -0.000000    -1.000000     0.250000     0.250000     0.250000
   40     1.000000    90.000000    -1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   41     1.000000   180.000000     0.707107     0.000000     0.707107     0.250000     0.250000     0.250000
   42     1.000000    90.000000     0.000000    -0.000000     1.000000     0.250000     0.250000     0.250000
   43    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   44    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   45    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   46     1.000000   180.000000     0.707107    -0.707107    -0.000000     0.250000     0.250000     0.250000
   47     1.000000   180.000000     0.707107     0.000000    -0.707107     0.250000     0.250000     0.250000
   48     1.000000   180.000000     0.000000    -0.707107     0.707107     0.250000     0.250000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     56 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909 -0.000000 -0.000000      8.000000
  0.181818 -0.000000 -0.000000      8.000000
  0.272727  0.000000  0.000000      8.000000
  0.363636 -0.000000 -0.000000      8.000000
  0.454545 -0.000000 -0.000000      8.000000
  0.090909  0.090909  0.000000      6.000000
  0.181818  0.090909  0.000000     24.000000
  0.272727  0.090909 -0.000000     24.000000
  0.363636  0.090909  0.000000     24.000000
  0.454545  0.090909 -0.000000     24.000000
 -0.454545  0.090909 -0.000000     24.000000
 -0.363636  0.090909 -0.000000     24.000000
 -0.272727  0.090909  0.000000     24.000000
 -0.181818  0.090909 -0.000000     24.000000
 -0.090909  0.090909 -0.000000     12.000000
  0.181818  0.181818  0.000000      6.000000
  0.272727  0.181818  0.000000     24.000000
  0.363636  0.181818  0.000000     24.000000
  0.454545  0.181818  0.000000     24.000000
 -0.454545  0.181818 -0.000000     24.000000
 -0.363636  0.181818 -0.000000     24.000000
 -0.272727  0.181818 -0.000000     24.000000
 -0.181818  0.181818 -0.000000     12.000000
  0.272727  0.272727  0.000000      6.000000
  0.363636  0.272727  0.000000     24.000000
  0.454545  0.272727  0.000000     24.000000
 -0.454545  0.272727  0.000000     24.000000
 -0.363636  0.272727  0.000000     24.000000
 -0.272727  0.272727  0.000000     12.000000
  0.363636  0.363636  0.000000      6.000000
  0.454545  0.363636  0.000000     24.000000
 -0.454545  0.363636  0.000000     24.000000
 -0.363636  0.363636 -0.000000     12.000000
  0.454545  0.454545  0.000000      6.000000
 -0.454545  0.454545  0.000000     12.000000
  0.272727  0.181818  0.090909     24.000000
  0.363636  0.181818  0.090909     48.000000
  0.454545  0.181818  0.090909     48.000000
 -0.454545  0.181818  0.090909     48.000000
  0.363636  0.272727  0.090909     24.000000
  0.454545  0.272727  0.090909     48.000000
 -0.454545  0.272727  0.090909     48.000000
 -0.363636  0.272727  0.090909     48.000000
 -0.272727  0.272727  0.090909     48.000000
 -0.181818  0.272727  0.090909     24.000000
  0.454545  0.363636  0.090909     24.000000
 -0.454545  0.363636  0.090909     48.000000
 -0.363636  0.363636  0.090909     48.000000
 -0.272727  0.363636  0.090909     24.000000
 -0.454545  0.454545  0.090909     24.000000
 -0.363636  0.454545  0.090909     24.000000
 -0.454545  0.363636  0.181818     24.000000
 -0.363636  0.363636  0.181818     48.000000
 -0.363636  0.454545  0.181818     24.000000
 -0.272727  0.454545  0.181818     24.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016868  0.016868 -0.016868      8.000000
  0.033737  0.033737 -0.033737      8.000000
  0.050605  0.050605 -0.050605      8.000000
  0.067473  0.067473 -0.067473      8.000000
  0.084341  0.084341 -0.084341      8.000000
  0.000000  0.033737  0.000000      6.000000
  0.016868  0.050605 -0.016868     24.000000
  0.033737  0.067473 -0.033737     24.000000
  0.050605  0.084341 -0.050605     24.000000
  0.067473  0.101210 -0.067473     24.000000
 -0.101210 -0.067473  0.101210     24.000000
 -0.084341 -0.050605  0.084341     24.000000
 -0.067473 -0.033737  0.067473     24.000000
 -0.050605 -0.016868  0.050605     24.000000
 -0.033737  0.000000  0.033737     12.000000
  0.000000  0.067473  0.000000      6.000000
  0.016868  0.084341 -0.016868     24.000000
  0.033737  0.101210 -0.033737     24.000000
  0.050605  0.118078 -0.050605     24.000000
 -0.118078 -0.050605  0.118078     24.000000
 -0.101210 -0.033737  0.101210     24.000000
 -0.084341 -0.016868  0.084341     24.000000
 -0.067473  0.000000  0.067473     12.000000
  0.000000  0.101210  0.000000      6.000000
  0.016868  0.118078 -0.016868     24.000000
  0.033737  0.134946 -0.033737     24.000000
 -0.134946 -0.033737  0.134946     24.000000
 -0.118078 -0.016868  0.118078     24.000000
 -0.101210  0.000000  0.101210     12.000000
  0.000000  0.134946  0.000000      6.000000
  0.016868  0.151814 -0.016868     24.000000
 -0.151814 -0.016868  0.151814     24.000000
 -0.134946  0.000000  0.134946     12.000000
  0.000000  0.168683  0.000000      6.000000
 -0.168683 -0.000000  0.168683     12.000000
  0.033737  0.067473  0.000000     24.000000
  0.050605  0.084341 -0.016868     48.000000
  0.067473  0.101210 -0.033737     48.000000
 -0.101210 -0.067473  0.134946     48.000000
  0.033737  0.101210  0.000000     24.000000
  0.050605  0.118078 -0.016868     48.000000
 -0.118078 -0.050605  0.151814     48.000000
 -0.101210 -0.033737  0.134946     48.000000
 -0.084341 -0.016868  0.118078     48.000000
 -0.067473  0.000000  0.101210     24.000000
  0.033737  0.134946  0.000000     24.000000
 -0.134946 -0.033737  0.168683     48.000000
 -0.118078 -0.016868  0.151814     48.000000
 -0.101210  0.000000  0.134946     24.000000
 -0.151814 -0.016868  0.185551     24.000000
 -0.134946  0.000000  0.168683     24.000000
 -0.118078 -0.050605  0.185551     24.000000
 -0.101210 -0.033737  0.168683     48.000000
 -0.118078 -0.016868  0.185551     24.000000
 -0.101210  0.000000  0.168683     24.000000
 
 writing wavefunctions
     LOOP+:  cpu time    4.8153: real time    5.0384
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0    33970. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       2198. kBytes
   fftplans  :        304. kBytes
   grid      :        903. kBytes
   one-center:          6. kBytes
   wavefun   :        559. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       89.795
                            User time (sec):       60.247
                          System time (sec):       29.549
                         Elapsed time (sec):       90.990
  
                   Maximum memory used (kb):       81612.
                   Average memory used (kb):           0.
  
                          Minor page faults:       776791
                          Major page faults:           20
                 Voluntary context switches:         1460
