 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Dec 13 2017 12:04:02) complex           
 executed on             LinuxGNU date 2018.11.15  13:04:02
 running on   56 total cores
 distrk:  each k-point on   56 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,   56 groups


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


 INCAR:
 POTCAR:    PAW_PBE Ti_sv 26Sep2005               

 ----------------------------------------------------------------------------- 
|                                                                             |
|           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 Ti_sv 26Sep2005               
   VRHFIN =Ti: 3p4s3d                                                           
   LEXCH  = PE                                                                  
   EATOM  =  1588.0892 eV,  116.7213 Ry                                         
                                                                                
   TITEL  = PAW_PBE Ti_sv 26Sep2005                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   47.880; ZVAL   =   12.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.300; RWIGS  =    1.217    wigner-seitz radius (au A)           
   ENMAX  =  274.610; ENMIN  =  205.957 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  482.848                                                            
   RMAX   =    2.348    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.381    radius for radial grids                                 
   RDEPT  =    1.930    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    8 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -4865.3608   2.0000                                         
     2  0  0.50      -533.1368   2.0000                                         
     2  1  1.50      -440.5031   6.0000                                         
     3  0  0.50       -59.3186   2.0000                                         
     4  0  0.50        -3.7291   1.0000                                         
     3  1  1.50       -35.7012   6.0000                                         
     3  2  2.50        -1.9157   3.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -59.3185931     23  1.800                                             
     0     -3.7290822     23  2.300                                             
     1    -35.7012045     23  2.300                                             
     1     -1.3605826     23  2.300                                             
     2     -1.9156920     23  2.300                                             
     2     -0.0236318     23  2.300                                             
     3     -1.3605826     23  2.300                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density 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
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18

  PAW_PBE Ti_sv 26Sep2005               :
 energy of atom  1       EATOM=-1588.0892
 kinetic energy error for atom=    0.0320 (will be added to EATOM!!)


 POSCAR: Ti2                                     
  positions in direct lattice
  velocities in cartesian coordinates
 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 2.87   2 2.87   2 2.87   2 2.87   2 2.87   2 2.87
   2  0.667  0.333  0.500-   1 2.87   1 2.87   1 2.87   1 2.87   1 2.87   1 2.87

  LATTYP: Found a hexagonal cell.
 ALAT       =     2.9287821857
 C/A-ratio  =     1.5856403927
  
  Lattice vectors:
  
 A1 = (   1.4643910929,  -2.5363997750,  -0.0000000000)
 A2 = (   1.4643910929,   2.5363997750,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   4.6439953353)


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 
 hexagonal supercell.


 Subroutine GETGRP returns: Found 24 space group operations
 (whereof 12 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry D_3h.
 The point group associated with its full space group is D_6h.


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 
 hexagonal supercell.


 Subroutine GETGRP returns: Found 24 space group operations
 (whereof 12 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry D_3h.
 The point group associated with its full space group is D_6h.


 Subroutine INISYM returns: Found 24 space group operations
 (whereof 12 operations are pure point group operations),
 and found     1 'primitive' translations



 KPOINTS: Authomatic 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    60.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    5     1.000000   120.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    6    -1.000000    60.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    7    -1.000000   180.000000     0.500000    -0.866025     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   180.000000    -0.500000    -0.866025     0.000000     0.000000     0.000000     0.000000
   10     1.000000   180.000000     0.866025     0.500000     0.000000     0.000000     0.000000     0.000000
   11    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   12     1.000000   180.000000     0.866025    -0.500000     0.000000     0.000000     0.000000     0.000000
   13    -1.000000     0.000000     1.000000     0.000000     0.000000     0.666667     0.333333     0.500000
   14     1.000000    60.000000     0.000000     0.000000    -1.000000     0.666667     0.333333     0.500000
   15    -1.000000   120.000000     0.000000     0.000000    -1.000000     0.666667     0.333333     0.500000
   16     1.000000   180.000000     0.000000     0.000000     1.000000     0.666667     0.333333     0.500000
   17    -1.000000   120.000000     0.000000     0.000000     1.000000     0.666667     0.333333     0.500000
   18     1.000000    60.000000     0.000000     0.000000     1.000000     0.666667     0.333333     0.500000
   19     1.000000   180.000000     0.500000    -0.866025     0.000000     0.666667     0.333333     0.500000
   20    -1.000000   180.000000     0.000000     1.000000     0.000000     0.666667     0.333333     0.500000
   21     1.000000   180.000000    -0.500000    -0.866025     0.000000     0.666667     0.333333     0.500000
   22    -1.000000   180.000000     0.866025     0.500000     0.000000     0.666667     0.333333     0.500000
   23     1.000000   180.000000     1.000000     0.000000     0.000000     0.666667     0.333333     0.500000
   24    -1.000000   180.000000     0.866025    -0.500000     0.000000     0.666667     0.333333     0.500000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     95 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.083333  0.000000  0.000000      6.000000
  0.166667  0.000000  0.000000      6.000000
  0.250000  0.000000  0.000000      6.000000
  0.333333  0.000000  0.000000      6.000000
  0.416667  0.000000  0.000000      6.000000
  0.500000  0.000000  0.000000      3.000000
  0.083333  0.083333  0.000000      6.000000
  0.166667  0.083333  0.000000     12.000000
  0.250000  0.083333  0.000000     12.000000
  0.333333  0.083333  0.000000     12.000000
  0.416667  0.083333  0.000000     12.000000
  0.166667  0.166667  0.000000      6.000000
  0.250000  0.166667  0.000000     12.000000
  0.333333  0.166667  0.000000     12.000000
  0.416667  0.166667  0.000000      6.000000
  0.250000  0.250000  0.000000      6.000000
  0.333333  0.250000  0.000000     12.000000
  0.333333  0.333333  0.000000      2.000000
  0.000000  0.000000  0.125000      2.000000
  0.083333  0.000000  0.125000     12.000000
  0.166667  0.000000  0.125000     12.000000
  0.250000  0.000000  0.125000     12.000000
  0.333333  0.000000  0.125000     12.000000
  0.416667  0.000000  0.125000     12.000000
  0.500000  0.000000  0.125000      6.000000
  0.083333  0.083333  0.125000     12.000000
  0.166667  0.083333  0.125000     24.000000
  0.250000  0.083333  0.125000     24.000000
  0.333333  0.083333  0.125000     24.000000
  0.416667  0.083333  0.125000     24.000000
  0.166667  0.166667  0.125000     12.000000
  0.250000  0.166667  0.125000     24.000000
  0.333333  0.166667  0.125000     24.000000
  0.416667  0.166667  0.125000     12.000000
  0.250000  0.250000  0.125000     12.000000
  0.333333  0.250000  0.125000     24.000000
  0.333333  0.333333  0.125000      4.000000
  0.000000  0.000000  0.250000      2.000000
  0.083333  0.000000  0.250000     12.000000
  0.166667  0.000000  0.250000     12.000000
  0.250000  0.000000  0.250000     12.000000
  0.333333  0.000000  0.250000     12.000000
  0.416667  0.000000  0.250000     12.000000
  0.500000  0.000000  0.250000      6.000000
  0.083333  0.083333  0.250000     12.000000
  0.166667  0.083333  0.250000     24.000000
  0.250000  0.083333  0.250000     24.000000
  0.333333  0.083333  0.250000     24.000000
  0.416667  0.083333  0.250000     24.000000
  0.166667  0.166667  0.250000     12.000000
  0.250000  0.166667  0.250000     24.000000
  0.333333  0.166667  0.250000     24.000000
  0.416667  0.166667  0.250000     12.000000
  0.250000  0.250000  0.250000     12.000000
  0.333333  0.250000  0.250000     24.000000
  0.333333  0.333333  0.250000      4.000000
  0.000000  0.000000  0.375000      2.000000
  0.083333  0.000000  0.375000     12.000000
  0.166667  0.000000  0.375000     12.000000
  0.250000  0.000000  0.375000     12.000000
  0.333333  0.000000  0.375000     12.000000
  0.416667  0.000000  0.375000     12.000000
  0.500000  0.000000  0.375000      6.000000
  0.083333  0.083333  0.375000     12.000000
  0.166667  0.083333  0.375000     24.000000
  0.250000  0.083333  0.375000     24.000000
  0.333333  0.083333  0.375000     24.000000
  0.416667  0.083333  0.375000     24.000000
  0.166667  0.166667  0.375000     12.000000
  0.250000  0.166667  0.375000     24.000000
  0.333333  0.166667  0.375000     24.000000
  0.416667  0.166667  0.375000     12.000000
  0.250000  0.250000  0.375000     12.000000
  0.333333  0.250000  0.375000     24.000000
  0.333333  0.333333  0.375000      4.000000
  0.000000  0.000000  0.500000      1.000000
  0.083333  0.000000  0.500000      6.000000
  0.166667  0.000000  0.500000      6.000000
  0.250000  0.000000  0.500000      6.000000
  0.333333  0.000000  0.500000      6.000000
  0.416667  0.000000  0.500000      6.000000
  0.500000  0.000000  0.500000      3.000000
  0.083333  0.083333  0.500000      6.000000
  0.166667  0.083333  0.500000     12.000000
  0.250000  0.083333  0.500000     12.000000
  0.333333  0.083333  0.500000     12.000000
  0.416667  0.083333  0.500000     12.000000
  0.166667  0.166667  0.500000      6.000000
  0.250000  0.166667  0.500000     12.000000
  0.333333  0.166667  0.500000     12.000000
  0.416667  0.166667  0.500000      6.000000
  0.250000  0.250000  0.500000      6.000000
  0.333333  0.250000  0.500000     12.000000
  0.333333  0.333333  0.500000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.028453 -0.016427  0.000000      6.000000
  0.056906 -0.032855  0.000000      6.000000
  0.085360 -0.049282  0.000000      6.000000
  0.113813 -0.065710  0.000000      6.000000
  0.142266 -0.082137  0.000000      6.000000
  0.170719 -0.098565  0.000000      3.000000
  0.056906  0.000000  0.000000      6.000000
  0.085360 -0.016427  0.000000     12.000000
  0.113813 -0.032855  0.000000     12.000000
  0.142266 -0.049282  0.000000     12.000000
  0.170719 -0.065710  0.000000     12.000000
  0.113813  0.000000  0.000000      6.000000
  0.142266 -0.016427  0.000000     12.000000
  0.170719 -0.032855  0.000000     12.000000
  0.199173 -0.049282  0.000000      6.000000
  0.170719  0.000000  0.000000      6.000000
  0.199173 -0.016427  0.000000     12.000000
  0.227626  0.000000  0.000000      2.000000
  0.000000  0.000000  0.026916      2.000000
  0.028453 -0.016427  0.026916     12.000000
  0.056906 -0.032855  0.026916     12.000000
  0.085360 -0.049282  0.026916     12.000000
  0.113813 -0.065710  0.026916     12.000000
  0.142266 -0.082137  0.026916     12.000000
  0.170719 -0.098565  0.026916      6.000000
  0.056906  0.000000  0.026916     12.000000
  0.085360 -0.016427  0.026916     24.000000
  0.113813 -0.032855  0.026916     24.000000
  0.142266 -0.049282  0.026916     24.000000
  0.170719 -0.065710  0.026916     24.000000
  0.113813  0.000000  0.026916     12.000000
  0.142266 -0.016427  0.026916     24.000000
  0.170719 -0.032855  0.026916     24.000000
  0.199173 -0.049282  0.026916     12.000000
  0.170719  0.000000  0.026916     12.000000
  0.199173 -0.016427  0.026916     24.000000
  0.227626  0.000000  0.026916      4.000000
  0.000000  0.000000  0.053833      2.000000
  0.028453 -0.016427  0.053833     12.000000
  0.056906 -0.032855  0.053833     12.000000
  0.085360 -0.049282  0.053833     12.000000
  0.113813 -0.065710  0.053833     12.000000
  0.142266 -0.082137  0.053833     12.000000
  0.170719 -0.098565  0.053833      6.000000
  0.056906  0.000000  0.053833     12.000000
  0.085360 -0.016427  0.053833     24.000000
  0.113813 -0.032855  0.053833     24.000000
  0.142266 -0.049282  0.053833     24.000000
  0.170719 -0.065710  0.053833     24.000000
  0.113813  0.000000  0.053833     12.000000
  0.142266 -0.016427  0.053833     24.000000
  0.170719 -0.032855  0.053833     24.000000
  0.199173 -0.049282  0.053833     12.000000
  0.170719  0.000000  0.053833     12.000000
  0.199173 -0.016427  0.053833     24.000000
  0.227626  0.000000  0.053833      4.000000
  0.000000  0.000000  0.080749      2.000000
  0.028453 -0.016427  0.080749     12.000000
  0.056906 -0.032855  0.080749     12.000000
  0.085360 -0.049282  0.080749     12.000000
  0.113813 -0.065710  0.080749     12.000000
  0.142266 -0.082137  0.080749     12.000000
  0.170719 -0.098565  0.080749      6.000000
  0.056906  0.000000  0.080749     12.000000
  0.085360 -0.016427  0.080749     24.000000
  0.113813 -0.032855  0.080749     24.000000
  0.142266 -0.049282  0.080749     24.000000
  0.170719 -0.065710  0.080749     24.000000
  0.113813  0.000000  0.080749     12.000000
  0.142266 -0.016427  0.080749     24.000000
  0.170719 -0.032855  0.080749     24.000000
  0.199173 -0.049282  0.080749     12.000000
  0.170719  0.000000  0.080749     12.000000
  0.199173 -0.016427  0.080749     24.000000
  0.227626  0.000000  0.080749      4.000000
  0.000000  0.000000  0.107666      1.000000
  0.028453 -0.016427  0.107666      6.000000
  0.056906 -0.032855  0.107666      6.000000
  0.085360 -0.049282  0.107666      6.000000
  0.113813 -0.065710  0.107666      6.000000
  0.142266 -0.082137  0.107666      6.000000
  0.170719 -0.098565  0.107666      3.000000
  0.056906  0.000000  0.107666      6.000000
  0.085360 -0.016427  0.107666     12.000000
  0.113813 -0.032855  0.107666     12.000000
  0.142266 -0.049282  0.107666     12.000000
  0.170719 -0.065710  0.107666     12.000000
  0.113813  0.000000  0.107666      6.000000
  0.142266 -0.016427  0.107666     12.000000
  0.170719 -0.032855  0.107666     12.000000
  0.199173 -0.049282  0.107666      6.000000
  0.170719  0.000000  0.107666      6.000000
  0.199173 -0.016427  0.107666     12.000000
  0.227626  0.000000  0.107666      2.000000
 
 TETIRR: Found   1172 inequivalent tetrahedra from     6912


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




 Dimension of arrays:
   k-points           NKPTS =     95   k-points in BZ     NKDIM =     95   number of bands    NBANDS=     56
   number of dos      NEDOS =   9000   number of ions     NIONS =      2
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =   9072
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  42546
   dimension x,y,z NGX =    18 NGY =   18 NGZ =   28
   dimension x,y,z NGXF=    28 NGYF=   28 NGZF=   48
   support grid    NGXF=    56 NGYF=   56 NGZF=   96
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of  10.22, 10.22, 10.02 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  15.89, 15.89, 17.18 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Ti2                                     

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = high      normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    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  =  343.3 eV  25.23 Ry    5.02 a.u.   4.42  4.42  7.02*2*pi/ulx,y,z
   ENINI  =  343.3     initial cutoff
   ENAUG  =  482.8 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    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    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=  -0.196E-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 =  47.88
  Ionic Valenz
   ZVAL   =  12.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      24.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =  8.45  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    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 = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.45E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      17.25       116.40
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.450596  2.741228 28.629759  2.104228
  Thomas-Fermi vector in A             =   2.568190

 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    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



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


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after 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           44
 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)
 Fermi weights with tetrahedron method with Bloechl corrections


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


  energy-cutoff  :      343.26
  volume of cell :       34.50
      direct lattice vectors                 reciprocal lattice vectors
     1.464391093 -2.536399775 -0.000000000     0.341438843 -0.197129808  0.000000000
     1.464391093  2.536399775  0.000000000     0.341438843  0.197129808 -0.000000000
     0.000000000  0.000000000  4.643995335     0.000000000 -0.000000000  0.215331827

  length of vectors
     2.928782186  2.928782186  4.643995335     0.394259615  0.394259615  0.215331827



 k-points in units of 2pi/SCALE and weight: Authomatic mesh                         
   0.00000000  0.00000000  0.00000000       0.001
   0.02845324 -0.01642748  0.00000000       0.005
   0.05690647 -0.03285497  0.00000000       0.005
   0.08535971 -0.04928245  0.00000000       0.005
   0.11381295 -0.06570994  0.00000000       0.005
   0.14226618 -0.08213742  0.00000000       0.005
   0.17071942 -0.09856490  0.00000000       0.003
   0.05690647  0.00000000  0.00000000       0.005
   0.08535971 -0.01642748  0.00000000       0.010
   0.11381295 -0.03285497  0.00000000       0.010
   0.14226618 -0.04928245  0.00000000       0.010
   0.17071942 -0.06570994  0.00000000       0.010
   0.11381295  0.00000000  0.00000000       0.005
   0.14226618 -0.01642748  0.00000000       0.010
   0.17071942 -0.03285497  0.00000000       0.010
   0.19917266 -0.04928245  0.00000000       0.005
   0.17071942  0.00000000  0.00000000       0.005
   0.19917266 -0.01642748  0.00000000       0.010
   0.22762590  0.00000000  0.00000000       0.002
   0.00000000  0.00000000  0.02691648       0.002
   0.02845324 -0.01642748  0.02691648       0.010
   0.05690647 -0.03285497  0.02691648       0.010
   0.08535971 -0.04928245  0.02691648       0.010
   0.11381295 -0.06570994  0.02691648       0.010
   0.14226618 -0.08213742  0.02691648       0.010
   0.17071942 -0.09856490  0.02691648       0.005
   0.05690647  0.00000000  0.02691648       0.010
   0.08535971 -0.01642748  0.02691648       0.021
   0.11381295 -0.03285497  0.02691648       0.021
   0.14226618 -0.04928245  0.02691648       0.021
   0.17071942 -0.06570994  0.02691648       0.021
   0.11381295  0.00000000  0.02691648       0.010
   0.14226618 -0.01642748  0.02691648       0.021
   0.17071942 -0.03285497  0.02691648       0.021
   0.19917266 -0.04928245  0.02691648       0.010
   0.17071942  0.00000000  0.02691648       0.010
   0.19917266 -0.01642748  0.02691648       0.021
   0.22762590  0.00000000  0.02691648       0.003
   0.00000000  0.00000000  0.05383296       0.002
   0.02845324 -0.01642748  0.05383296       0.010
   0.05690647 -0.03285497  0.05383296       0.010
   0.08535971 -0.04928245  0.05383296       0.010
   0.11381295 -0.06570994  0.05383296       0.010
   0.14226618 -0.08213742  0.05383296       0.010
   0.17071942 -0.09856490  0.05383296       0.005
   0.05690647  0.00000000  0.05383296       0.010
   0.08535971 -0.01642748  0.05383296       0.021
   0.11381295 -0.03285497  0.05383296       0.021
   0.14226618 -0.04928245  0.05383296       0.021
   0.17071942 -0.06570994  0.05383296       0.021
   0.11381295  0.00000000  0.05383296       0.010
   0.14226618 -0.01642748  0.05383296       0.021
   0.17071942 -0.03285497  0.05383296       0.021
   0.19917266 -0.04928245  0.05383296       0.010
   0.17071942  0.00000000  0.05383296       0.010
   0.19917266 -0.01642748  0.05383296       0.021
   0.22762590  0.00000000  0.05383296       0.003
   0.00000000  0.00000000  0.08074944       0.002
   0.02845324 -0.01642748  0.08074944       0.010
   0.05690647 -0.03285497  0.08074944       0.010
   0.08535971 -0.04928245  0.08074944       0.010
   0.11381295 -0.06570994  0.08074944       0.010
   0.14226618 -0.08213742  0.08074944       0.010
   0.17071942 -0.09856490  0.08074944       0.005
   0.05690647  0.00000000  0.08074944       0.010
   0.08535971 -0.01642748  0.08074944       0.021
   0.11381295 -0.03285497  0.08074944       0.021
   0.14226618 -0.04928245  0.08074944       0.021
   0.17071942 -0.06570994  0.08074944       0.021
   0.11381295  0.00000000  0.08074944       0.010
   0.14226618 -0.01642748  0.08074944       0.021
   0.17071942 -0.03285497  0.08074944       0.021
   0.19917266 -0.04928245  0.08074944       0.010
   0.17071942  0.00000000  0.08074944       0.010
   0.19917266 -0.01642748  0.08074944       0.021
   0.22762590  0.00000000  0.08074944       0.003
   0.00000000  0.00000000  0.10766591       0.001
   0.02845324 -0.01642748  0.10766591       0.005
   0.05690647 -0.03285497  0.10766591       0.005
   0.08535971 -0.04928245  0.10766591       0.005
   0.11381295 -0.06570994  0.10766591       0.005
   0.14226618 -0.08213742  0.10766591       0.005
   0.17071942 -0.09856490  0.10766591       0.003
   0.05690647  0.00000000  0.10766591       0.005
   0.08535971 -0.01642748  0.10766591       0.010
   0.11381295 -0.03285497  0.10766591       0.010
   0.14226618 -0.04928245  0.10766591       0.010
   0.17071942 -0.06570994  0.10766591       0.010
   0.11381295  0.00000000  0.10766591       0.005
   0.14226618 -0.01642748  0.10766591       0.010
   0.17071942 -0.03285497  0.10766591       0.010
   0.19917266 -0.04928245  0.10766591       0.005
   0.17071942  0.00000000  0.10766591       0.005
   0.19917266 -0.01642748  0.10766591       0.010
   0.22762590  0.00000000  0.10766591       0.002

 k-points in reciprocal lattice and weights: Authomatic mesh                         
   0.00000000  0.00000000  0.00000000       0.001
   0.08333333  0.00000000  0.00000000       0.005
   0.16666667  0.00000000  0.00000000       0.005
   0.25000000  0.00000000  0.00000000       0.005
   0.33333333  0.00000000  0.00000000       0.005
   0.41666667  0.00000000  0.00000000       0.005
   0.50000000  0.00000000  0.00000000       0.003
   0.08333333  0.08333333  0.00000000       0.005
   0.16666667  0.08333333  0.00000000       0.010
   0.25000000  0.08333333  0.00000000       0.010
   0.33333333  0.08333333  0.00000000       0.010
   0.41666667  0.08333333  0.00000000       0.010
   0.16666667  0.16666667  0.00000000       0.005
   0.25000000  0.16666667  0.00000000       0.010
   0.33333333  0.16666667  0.00000000       0.010
   0.41666667  0.16666667  0.00000000       0.005
   0.25000000  0.25000000  0.00000000       0.005
   0.33333333  0.25000000  0.00000000       0.010
   0.33333333  0.33333333  0.00000000       0.002
   0.00000000  0.00000000  0.12500000       0.002
   0.08333333  0.00000000  0.12500000       0.010
   0.16666667  0.00000000  0.12500000       0.010
   0.25000000  0.00000000  0.12500000       0.010
   0.33333333  0.00000000  0.12500000       0.010
   0.41666667  0.00000000  0.12500000       0.010
   0.50000000  0.00000000  0.12500000       0.005
   0.08333333  0.08333333  0.12500000       0.010
   0.16666667  0.08333333  0.12500000       0.021
   0.25000000  0.08333333  0.12500000       0.021
   0.33333333  0.08333333  0.12500000       0.021
   0.41666667  0.08333333  0.12500000       0.021
   0.16666667  0.16666667  0.12500000       0.010
   0.25000000  0.16666667  0.12500000       0.021
   0.33333333  0.16666667  0.12500000       0.021
   0.41666667  0.16666667  0.12500000       0.010
   0.25000000  0.25000000  0.12500000       0.010
   0.33333333  0.25000000  0.12500000       0.021
   0.33333333  0.33333333  0.12500000       0.003
   0.00000000  0.00000000  0.25000000       0.002
   0.08333333  0.00000000  0.25000000       0.010
   0.16666667  0.00000000  0.25000000       0.010
   0.25000000  0.00000000  0.25000000       0.010
   0.33333333  0.00000000  0.25000000       0.010
   0.41666667  0.00000000  0.25000000       0.010
   0.50000000  0.00000000  0.25000000       0.005
   0.08333333  0.08333333  0.25000000       0.010
   0.16666667  0.08333333  0.25000000       0.021
   0.25000000  0.08333333  0.25000000       0.021
   0.33333333  0.08333333  0.25000000       0.021
   0.41666667  0.08333333  0.25000000       0.021
   0.16666667  0.16666667  0.25000000       0.010
   0.25000000  0.16666667  0.25000000       0.021
   0.33333333  0.16666667  0.25000000       0.021
   0.41666667  0.16666667  0.25000000       0.010
   0.25000000  0.25000000  0.25000000       0.010
   0.33333333  0.25000000  0.25000000       0.021
   0.33333333  0.33333333  0.25000000       0.003
   0.00000000  0.00000000  0.37500000       0.002
   0.08333333  0.00000000  0.37500000       0.010
   0.16666667  0.00000000  0.37500000       0.010
   0.25000000  0.00000000  0.37500000       0.010
   0.33333333  0.00000000  0.37500000       0.010
   0.41666667  0.00000000  0.37500000       0.010
   0.50000000  0.00000000  0.37500000       0.005
   0.08333333  0.08333333  0.37500000       0.010
   0.16666667  0.08333333  0.37500000       0.021
   0.25000000  0.08333333  0.37500000       0.021
   0.33333333  0.08333333  0.37500000       0.021
   0.41666667  0.08333333  0.37500000       0.021
   0.16666667  0.16666667  0.37500000       0.010
   0.25000000  0.16666667  0.37500000       0.021
   0.33333333  0.16666667  0.37500000       0.021
   0.41666667  0.16666667  0.37500000       0.010
   0.25000000  0.25000000  0.37500000       0.010
   0.33333333  0.25000000  0.37500000       0.021
   0.33333333  0.33333333  0.37500000       0.003
   0.00000000  0.00000000  0.50000000       0.001
   0.08333333  0.00000000  0.50000000       0.005
   0.16666667  0.00000000  0.50000000       0.005
   0.25000000  0.00000000  0.50000000       0.005
   0.33333333  0.00000000  0.50000000       0.005
   0.41666667  0.00000000  0.50000000       0.005
   0.50000000  0.00000000  0.50000000       0.003
   0.08333333  0.08333333  0.50000000       0.005
   0.16666667  0.08333333  0.50000000       0.010
   0.25000000  0.08333333  0.50000000       0.010
   0.33333333  0.08333333  0.50000000       0.010
   0.41666667  0.08333333  0.50000000       0.010
   0.16666667  0.16666667  0.50000000       0.005
   0.25000000  0.16666667  0.50000000       0.010
   0.33333333  0.16666667  0.50000000       0.010
   0.41666667  0.16666667  0.50000000       0.005
   0.25000000  0.25000000  0.50000000       0.005
   0.33333333  0.25000000  0.50000000       0.010
   0.33333333  0.33333333  0.50000000       0.002

 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.66666667  0.33333333  0.50000000

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.46439109 -0.84546659  2.32199767



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     513
 k-point  2 :   0.0833 0.0000 0.0000  plane waves:     511
 k-point  3 :   0.1667 0.0000 0.0000  plane waves:     509
 k-point  4 :   0.2500 0.0000 0.0000  plane waves:     498
 k-point  5 :   0.3333 0.0000 0.0000  plane waves:     486
 k-point  6 :   0.4167 0.0000 0.0000  plane waves:     488
 k-point  7 :   0.5000 0.0000 0.0000  plane waves:     492
 k-point  8 :   0.0833 0.0833 0.0000  plane waves:     503
 k-point  9 :   0.1667 0.0833 0.0000  plane waves:     504
 k-point 10 :   0.2500 0.0833 0.0000  plane waves:     494
 k-point 11 :   0.3333 0.0833 0.0000  plane waves:     498
 k-point 12 :   0.4167 0.0833 0.0000  plane waves:     491
 k-point 13 :   0.1667 0.1667 0.0000  plane waves:     493
 k-point 14 :   0.2500 0.1667 0.0000  plane waves:     495
 k-point 15 :   0.3333 0.1667 0.0000  plane waves:     496
 k-point 16 :   0.4167 0.1667 0.0000  plane waves:     492
 k-point 17 :   0.2500 0.2500 0.0000  plane waves:     494
 k-point 18 :   0.3333 0.2500 0.0000  plane waves:     488
 k-point 19 :   0.3333 0.3333 0.0000  plane waves:     492
 k-point 20 :   0.0000 0.0000 0.1250  plane waves:     512
 k-point 21 :   0.0833 0.0000 0.1250  plane waves:     512
 k-point 22 :   0.1667 0.0000 0.1250  plane waves:     503
 k-point 23 :   0.2500 0.0000 0.1250  plane waves:     497
 k-point 24 :   0.3333 0.0000 0.1250  plane waves:     496
 k-point 25 :   0.4167 0.0000 0.1250  plane waves:     492
 k-point 26 :   0.5000 0.0000 0.1250  plane waves:     490
 k-point 27 :   0.0833 0.0833 0.1250  plane waves:     505
 k-point 28 :   0.1667 0.0833 0.1250  plane waves:     500
 k-point 29 :   0.2500 0.0833 0.1250  plane waves:     499
 k-point 30 :   0.3333 0.0833 0.1250  plane waves:     495
 k-point 31 :   0.4167 0.0833 0.1250  plane waves:     490
 k-point 32 :   0.1667 0.1667 0.1250  plane waves:     502
 k-point 33 :   0.2500 0.1667 0.1250  plane waves:     499
 k-point 34 :   0.3333 0.1667 0.1250  plane waves:     497
 k-point 35 :   0.4167 0.1667 0.1250  plane waves:     494
 k-point 36 :   0.2500 0.2500 0.1250  plane waves:     497
 k-point 37 :   0.3333 0.2500 0.1250  plane waves:     495
 k-point 38 :   0.3333 0.3333 0.1250  plane waves:     495
 k-point 39 :   0.0000 0.0000 0.2500  plane waves:     518
 k-point 40 :   0.0833 0.0000 0.2500  plane waves:     510
 k-point 41 :   0.1667 0.0000 0.2500  plane waves:     508
 k-point 42 :   0.2500 0.0000 0.2500  plane waves:     496
 k-point 43 :   0.3333 0.0000 0.2500  plane waves:     494
 k-point 44 :   0.4167 0.0000 0.2500  plane waves:     496
 k-point 45 :   0.5000 0.0000 0.2500  plane waves:     496
 k-point 46 :   0.0833 0.0833 0.2500  plane waves:     507
 k-point 47 :   0.1667 0.0833 0.2500  plane waves:     502
 k-point 48 :   0.2500 0.0833 0.2500  plane waves:     501
 k-point 49 :   0.3333 0.0833 0.2500  plane waves:     498
 k-point 50 :   0.4167 0.0833 0.2500  plane waves:     490
 k-point 51 :   0.1667 0.1667 0.2500  plane waves:     500
 k-point 52 :   0.2500 0.1667 0.2500  plane waves:     498
 k-point 53 :   0.3333 0.1667 0.2500  plane waves:     496
 k-point 54 :   0.4167 0.1667 0.2500  plane waves:     495
 k-point 55 :   0.2500 0.2500 0.2500  plane waves:     498
 k-point 56 :   0.3333 0.2500 0.2500  plane waves:     496
 k-point 57 :   0.3333 0.3333 0.2500  plane waves:     501
 k-point 58 :   0.0000 0.0000 0.3750  plane waves:     494
 k-point 59 :   0.0833 0.0000 0.3750  plane waves:     507
 k-point 60 :   0.1667 0.0000 0.3750  plane waves:     504
 k-point 61 :   0.2500 0.0000 0.3750  plane waves:     505
 k-point 62 :   0.3333 0.0000 0.3750  plane waves:     499
 k-point 63 :   0.4167 0.0000 0.3750  plane waves:     498
 k-point 64 :   0.5000 0.0000 0.3750  plane waves:     494
 k-point 65 :   0.0833 0.0833 0.3750  plane waves:     506
 k-point 66 :   0.1667 0.0833 0.3750  plane waves:     507
 k-point 67 :   0.2500 0.0833 0.3750  plane waves:     500
 k-point 68 :   0.3333 0.0833 0.3750  plane waves:     493
 k-point 69 :   0.4167 0.0833 0.3750  plane waves:     495
 k-point 70 :   0.1667 0.1667 0.3750  plane waves:     502
 k-point 71 :   0.2500 0.1667 0.3750  plane waves:     499
 k-point 72 :   0.3333 0.1667 0.3750  plane waves:     494
 k-point 73 :   0.4167 0.1667 0.3750  plane waves:     493
 k-point 74 :   0.2500 0.2500 0.3750  plane waves:     497
 k-point 75 :   0.3333 0.2500 0.3750  plane waves:     498
 k-point 76 :   0.3333 0.3333 0.3750  plane waves:     498
 k-point 77 :   0.0000 0.0000 0.5000  plane waves:     494
 k-point 78 :   0.0833 0.0000 0.5000  plane waves:     504
 k-point 79 :   0.1667 0.0000 0.5000  plane waves:     504
 k-point 80 :   0.2500 0.0000 0.5000  plane waves:     502
 k-point 81 :   0.3333 0.0000 0.5000  plane waves:     498
 k-point 82 :   0.4167 0.0000 0.5000  plane waves:     500
 k-point 83 :   0.5000 0.0000 0.5000  plane waves:     500
 k-point 84 :   0.0833 0.0833 0.5000  plane waves:     506
 k-point 85 :   0.1667 0.0833 0.5000  plane waves:     500
 k-point 86 :   0.2500 0.0833 0.5000  plane waves:     500
 k-point 87 :   0.3333 0.0833 0.5000  plane waves:     498
 k-point 88 :   0.4167 0.0833 0.5000  plane waves:     498
 k-point 89 :   0.1667 0.1667 0.5000  plane waves:     500
 k-point 90 :   0.2500 0.1667 0.5000  plane waves:     498
 k-point 91 :   0.3333 0.1667 0.5000  plane waves:     492
 k-point 92 :   0.4167 0.1667 0.5000  plane waves:     488
 k-point 93 :   0.2500 0.2500 0.5000  plane waves:     496
 k-point 94 :   0.3333 0.2500 0.5000  plane waves:     492
 k-point 95 :   0.3333 0.3333 0.5000  plane waves:     498

 maximum and minimum number of plane-waves per node :       518      486

 maximum number of plane-waves:       518
 maximum index in each direction: 
   IXMAX=    4   IYMAX=    4   IZMAX=    7
   IXMIN=   -4   IYMIN=   -4   IZMIN=   -7


 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    39244. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       7678. kBytes
   fftplans  :        165. kBytes
   grid      :        434. kBytes
   one-center:         31. kBytes
   wavefun   :        936. kBytes

     INWAV:  cpu time    0.0000: real time    0.0000
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ = 15
  (NGX  = 28   NGY  = 28   NGZ  = 48)
  gives a total of   1215 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      24.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         1349 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.544
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 4

    FEWALD:  cpu time    0.0011: real time    0.0011


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


    POTLOK:  cpu time    0.0139: real time    0.0676
    SETDIJ:  cpu time    0.0131: real time    0.0133
     EDDAV:  cpu time   15.6624: real time   15.7158
 BZINTS: Fermi energy: 10.392102; 24.000000 electrons
         Band energy:-361.588590;  BLOECHL correction: -0.058552
       DOS:  cpu time    0.5324: real time    0.5339
    --------------------------------------------
      LOOP:  cpu time   16.2219: real time   16.3306

 eigenvalue-minimisations  : 11536
 total energy-change (2. order) : 0.1467672E+01  (-0.1293431E+04)
 number of electron      24.0000000 magnetization 
 augmentation part       24.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -773.98921558
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       124.03243198
  PAW double counting   =      2529.13038148    -2489.96060447
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -361.58859037
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         1.46767183 eV

  energy without entropy =        1.46767183  energy(sigma->0) =        1.46767183


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




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


     EDDAV:  cpu time   26.1417: real time   26.2334
 BZINTS: Fermi energy:  9.805822; 24.000000 electrons
         Band energy:-380.702487;  BLOECHL correction: -0.023142
       DOS:  cpu time    0.4981: real time    0.4994
    --------------------------------------------
      LOOP:  cpu time   26.6398: real time   26.7328

 eigenvalue-minimisations  : 14616
 total energy-change (2. order) :-0.1911390E+02  (-0.1909049E+02)
 number of electron      24.0000000 magnetization 
 augmentation part       24.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -773.98921558
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       124.03243198
  PAW double counting   =      2529.13038148    -2489.96060447
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -380.70248703
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -17.64622482 eV

  energy without entropy =      -17.64622482  energy(sigma->0) =      -17.64622482


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




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


     EDDAV:  cpu time   23.9462: real time   24.0283
 BZINTS: Fermi energy:  9.804811; 24.000000 electrons
         Band energy:-380.781374;  BLOECHL correction: -0.023125
       DOS:  cpu time    0.4892: real time    0.4905
    --------------------------------------------
      LOOP:  cpu time   24.4354: real time   24.5188

 eigenvalue-minimisations  : 13104
 total energy-change (2. order) :-0.7888681E-01  (-0.7887898E-01)
 number of electron      24.0000000 magnetization 
 augmentation part       24.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -773.98921558
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       124.03243198
  PAW double counting   =      2529.13038148    -2489.96060447
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -380.78137383
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -17.72511163 eV

  energy without entropy =      -17.72511163  energy(sigma->0) =      -17.72511163


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




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


     EDDAV:  cpu time   45.2741: real time   45.4336
 BZINTS: Fermi energy:  9.804811; 24.000000 electrons
         Band energy:-380.781409;  BLOECHL correction: -0.023125
       DOS:  cpu time    0.4837: real time    0.4851
    --------------------------------------------
      LOOP:  cpu time   45.7578: real time   45.9186

 eigenvalue-minimisations  : 17864
 total energy-change (2. order) :-0.3546803E-04  (-0.3546458E-04)
 number of electron      24.0000000 magnetization 
 augmentation part       24.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -773.98921558
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       124.03243198
  PAW double counting   =      2529.13038148    -2489.96060447
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -380.78140930
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -17.72514710 eV

  energy without entropy =      -17.72514710  energy(sigma->0) =      -17.72514710


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




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


     EDDAV:  cpu time   24.6677: real time   24.7581
 BZINTS: Fermi energy:  9.804811; 24.000000 electrons
         Band energy:-380.781409;  BLOECHL correction: -0.023125
       DOS:  cpu time    0.4660: real time    0.4673
    CHARGE:  cpu time    0.0903: real time    0.0908
    MIXING:  cpu time    0.0015: real time    0.0018
    --------------------------------------------
      LOOP:  cpu time   25.2256: real time   25.3180

 eigenvalue-minimisations  : 12880
 total energy-change (2. order) : 0.4847607E-09  (-0.4052902E-09)
 number of electron      24.0000000 magnetization 
 augmentation part        6.7415597 magnetization 

 Broyden mixing:
  rms(total) = 0.11893E+01    rms(broyden)= 0.11892E+01
  rms(prec ) = 0.19316E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -773.98921558
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       124.03243198
  PAW double counting   =      2529.13038148    -2489.96060447
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -380.78140930
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -17.72514710 eV

  energy without entropy =      -17.72514710  energy(sigma->0) =      -17.72514710


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




--------------------------------------- Iteration      1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0065: real time    0.0081
    SETDIJ:  cpu time    0.0074: real time    0.0075
     EDDAV:  cpu time   22.1636: real time   22.2388
 BZINTS: Fermi energy:  8.743417; 24.000000 electrons
         Band energy:-423.791535;  BLOECHL correction: -0.018556
       DOS:  cpu time    0.5002: real time    0.5016
    CHARGE:  cpu time    0.0814: real time    0.0816
    MIXING:  cpu time    0.0005: real time    0.0007
    --------------------------------------------
      LOOP:  cpu time   22.7596: real time   22.8384

 eigenvalue-minimisations  : 13328
 total energy-change (2. order) : 0.2047588E+01  (-0.8123322E+00)
 number of electron      24.0000000 magnetization 
 augmentation part        7.1424023 magnetization 

 Broyden mixing:
  rms(total) = 0.32585E+00    rms(broyden)= 0.32572E+00
  rms(prec ) = 0.51391E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1258
  1.1258

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -729.76581551
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.81330234
  PAW double counting   =      2733.25893565    -2691.03571611
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -423.79153461
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.67755946 eV

  energy without entropy =      -15.67755946  energy(sigma->0) =      -15.67755946


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




--------------------------------------- Iteration      1(   7)  ---------------------------------------


    POTLOK:  cpu time    1.4561: real time    1.4623
    SETDIJ:  cpu time    0.3290: real time    0.3300
     EDDAV:  cpu time   32.8556: real time   32.9667
 BZINTS: Fermi energy:  8.504876; 24.000000 electrons
         Band energy:-432.545794;  BLOECHL correction: -0.018387
       DOS:  cpu time    0.4882: real time    0.4894
    CHARGE:  cpu time    0.0793: real time    0.0795
    MIXING:  cpu time    0.0004: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time   35.2085: real time   35.3283

 eigenvalue-minimisations  : 16072
 total energy-change (2. order) : 0.5048389E-01  (-0.3080258E-01)
 number of electron      24.0000000 magnetization 
 augmentation part        7.2121878 magnetization 

 Broyden mixing:
  rms(total) = 0.18405E+00    rms(broyden)= 0.18404E+00
  rms(prec ) = 0.27176E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8276
  1.1810  2.4742

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -724.22631013
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.55875219
  PAW double counting   =      2825.09361213    -2779.35060457
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -432.54579398
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.62707557 eV

  energy without entropy =      -15.62707557  energy(sigma->0) =      -15.62707557


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




--------------------------------------- Iteration      1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.0081: real time    0.0106
    SETDIJ:  cpu time    0.0070: real time    0.0070
     EDDAV:  cpu time   12.3698: real time   12.4104
 BZINTS: Fermi energy:  8.471164; 24.000000 electrons
         Band energy:-433.208481;  BLOECHL correction: -0.018397
       DOS:  cpu time    0.4880: real time    0.4894
    CHARGE:  cpu time    0.0795: real time    0.0797
    MIXING:  cpu time    0.0004: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time   12.9528: real time   12.9975

 eigenvalue-minimisations  : 10640
 total energy-change (2. order) :-0.7444839E-02  (-0.5569210E-02)
 number of electron      24.0000000 magnetization 
 augmentation part        7.1711204 magnetization 

 Broyden mixing:
  rms(total) = 0.15181E-01    rms(broyden)= 0.15135E-01
  rms(prec ) = 0.22863E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6037
  2.5540  1.1285  1.1285

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -728.80721592
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.83041537
  PAW double counting   =      2914.18161981    -2863.47412776
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -433.20848069
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.63452041 eV

  energy without entropy =      -15.63452041  energy(sigma->0) =      -15.63452041


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




--------------------------------------- Iteration      1(   9)  ---------------------------------------


    POTLOK:  cpu time    0.0069: real time    0.0069
    SETDIJ:  cpu time    0.0066: real time    0.0066
     EDDAV:  cpu time   30.1984: real time   30.3014
 BZINTS: Fermi energy:  8.446401; 24.000000 electrons
         Band energy:-434.159879;  BLOECHL correction: -0.018379
       DOS:  cpu time    0.5112: real time    0.5125
    CHARGE:  cpu time    0.0805: real time    0.0807
    MIXING:  cpu time    0.0004: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time   30.8039: real time   30.9085

 eigenvalue-minimisations  : 15064
 total energy-change (2. order) : 0.9771074E-04  (-0.4125898E-03)
 number of electron      24.0000000 magnetization 
 augmentation part        7.1773326 magnetization 

 Broyden mixing:
  rms(total) = 0.59900E-02    rms(broyden)= 0.59868E-02
  rms(prec ) = 0.11162E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6692
  2.6923  1.9354  0.9247  1.1245

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -728.37684185
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.81134949
  PAW double counting   =      2923.66587358    -2872.41819415
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -434.15987855
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.63442270 eV

  energy without entropy =      -15.63442270  energy(sigma->0) =      -15.63442270


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




--------------------------------------- Iteration      1(  10)  ---------------------------------------


    POTLOK:  cpu time    0.1160: real time    0.1184
    SETDIJ:  cpu time    0.0065: real time    0.0065
     EDDAV:  cpu time   15.9761: real time   16.0284
 BZINTS: Fermi energy:  8.447614; 24.000000 electrons
         Band energy:-434.115986;  BLOECHL correction: -0.018381
       DOS:  cpu time    0.5056: real time    0.5069
    CHARGE:  cpu time    0.0791: real time    0.0793
    MIXING:  cpu time    0.0005: real time    0.0005
    --------------------------------------------
      LOOP:  cpu time   16.6837: real time   16.7401

 eigenvalue-minimisations  : 11480
 total energy-change (2. order) :-0.2243030E-04  (-0.1476829E-04)
 number of electron      24.0000000 magnetization 
 augmentation part        7.1733988 magnetization 

 Broyden mixing:
  rms(total) = 0.16747E-02    rms(broyden)= 0.16730E-02
  rms(prec ) = 0.33248E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7988
  2.7638  2.3194  1.8243  0.9869  1.0997

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -728.83363900
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.83482209
  PAW double counting   =      2926.77520528    -2875.13811629
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -434.11598600
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.63444513 eV

  energy without entropy =      -15.63444513  energy(sigma->0) =      -15.63444513


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




--------------------------------------- Iteration      1(  11)  ---------------------------------------


    POTLOK:  cpu time    0.0063: real time    0.0063
    SETDIJ:  cpu time    0.0067: real time    0.0067
     EDDAV:  cpu time   38.2177: real time   38.3511
 BZINTS: Fermi energy:  8.447805; 24.000000 electrons
         Band energy:-434.107464;  BLOECHL correction: -0.018381
       DOS:  cpu time    0.5112: real time    0.5126
    CHARGE:  cpu time    0.0820: real time    0.0823
    MIXING:  cpu time    0.0005: real time    0.0005
    --------------------------------------------
      LOOP:  cpu time   38.8243: real time   38.9594

 eigenvalue-minimisations  : 16520
 total energy-change (2. order) : 0.7988393E-05  (-0.6856735E-06)
 number of electron      24.0000000 magnetization 
 augmentation part        7.1728636 magnetization 

 Broyden mixing:
  rms(total) = 0.53150E-03    rms(broyden)= 0.53014E-03
  rms(prec ) = 0.10485E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6917
  2.8629  2.4305  1.7706  0.9547  1.0367  1.0948

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -728.97276339
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.84169501
  PAW double counting   =      2927.26651996    -2875.50569331
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -434.10746419
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.63443714 eV

  energy without entropy =      -15.63443714  energy(sigma->0) =      -15.63443714


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




--------------------------------------- Iteration      1(  12)  ---------------------------------------


    POTLOK:  cpu time    0.0752: real time    0.0836
    SETDIJ:  cpu time    0.0065: real time    0.0065
     EDDAV:  cpu time   17.1142: real time   17.1711
 BZINTS: Fermi energy:  8.448083; 24.000000 electrons
         Band energy:-434.096101;  BLOECHL correction: -0.018381
       DOS:  cpu time    0.5114: real time    0.5126
    CHARGE:  cpu time    0.0786: real time    0.0789
    MIXING:  cpu time    0.0005: real time    0.0005
    --------------------------------------------
      LOOP:  cpu time   17.7864: real time   17.8532

 eigenvalue-minimisations  : 11872
 total energy-change (2. order) : 0.2049218E-05  (-0.1654545E-06)
 number of electron      24.0000000 magnetization 
 augmentation part        7.1726281 magnetization 

 Broyden mixing:
  rms(total) = 0.76289E-04    rms(broyden)= 0.71562E-04
  rms(prec ) = 0.10610E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7213
  2.8239  2.5427  1.8418  1.8418  1.1055  0.9874  0.9062

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -729.03030962
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.84453846
  PAW double counting   =      2927.37411525    -2875.56994696
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -434.09610101
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.63443509 eV

  energy without entropy =      -15.63443509  energy(sigma->0) =      -15.63443509


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




--------------------------------------- Iteration      1(  13)  ---------------------------------------


    POTLOK:  cpu time    0.0063: real time    0.0064
    SETDIJ:  cpu time    0.0065: real time    0.0065
     EDDAV:  cpu time    5.0582: real time    5.0740
 BZINTS: Fermi energy:  8.448120; 24.000000 electrons
         Band energy:-434.094596;  BLOECHL correction: -0.018381
       DOS:  cpu time    0.4934: real time    0.4947
    --------------------------------------------
      LOOP:  cpu time    5.5645: real time    5.5815

 eigenvalue-minimisations  :  5656
 total energy-change (2. order) :-0.5640823E-07  (-0.5030104E-08)
 number of electron      24.0000000 magnetization 
 augmentation part        7.1726281 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       115.27671942
  Ewald energy   TEWEN  =     -2317.54788695
  -Hartree energ DENC   =      -729.02571643
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       121.84429198
  PAW double counting   =      2927.27729405    -2875.47897750
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -434.09459604
  atomic energy  EATOM  =      3176.11443631
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.63443515 eV

  energy without entropy =      -15.63443515  energy(sigma->0) =      -15.63443515


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




 average (electrostatic) potential at core
  the test charge radii are     1.0397
  (the norm of the test charge is              1.0000)
       1 -72.3485       2 -72.3485



 E-fermi :   8.4481     XC(G=0): -11.5319     alpha+bet :-16.2856


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -48.4001      2.00000
      2     -48.2572      2.00000
      3     -25.0230      2.00000
      4     -24.3595      2.00000
      5     -24.3594      2.00000
      6     -24.3003      2.00000
      7     -24.2574      2.00000
      8     -24.2574      2.00000
      9       2.2629      2.00000
     10       5.7365      2.00000
     11       9.1944      0.00000
     12       9.2052      0.00000
     13       9.2052      0.00000
     14       9.3075      0.00000
     15       9.7070      0.00000
     16       9.7070      0.00000
     17      10.0616      0.00000
     18      10.0616      0.00000
     19      11.6002      0.00000
     20      11.6002      0.00000
     21      16.8112      0.00000
     22      23.0464      0.00000
     23      25.7249      0.00000
     24      25.8307      0.00000
     25      27.7029      0.00000
     26      27.7029      0.00000
     27      28.8981      0.00000
     28      28.8981      0.00000
     29      29.7513      0.00000
     30      29.7514      0.00000
     31      30.7320      0.00000
     32      33.6366      0.00000
     33      33.8397      0.00000
     34      33.8398      0.00000
     35      36.4479      0.00000
     36      36.9850      0.00000
     37      36.9850      0.00000
     38      38.6552      0.00000
     39      38.6552      0.00000
     40      40.7077      0.00000
     41      46.3140      0.00000
     42      49.9520      0.00000
     43      49.9520      0.00000
     44      50.0596      0.00000
     45      50.0596      0.00000
     46      50.1674      0.00000
     47      50.1674      0.00000
     48      53.1261      0.00000
     49      54.6138      0.00000
     50      55.9361      0.00000
     51      55.9361      0.00000
     52      58.3658      0.00000
     53      58.8016      0.00000
     54      61.5175      0.00000
     55      61.9274      0.00000
     56      64.6431      0.00000

 k-point     2 :       0.0833    0.0000    0.0000
  band No.  band energies     occupation 
      1     -48.3926      2.00000
      2     -48.2546      2.00000
      3     -25.0077      2.00000
      4     -24.3914      2.00000
      5     -24.3702      2.00000
      6     -24.3068      2.00000
      7     -24.2905      2.00000
      8     -24.2616      2.00000
      9       2.4589      2.00000
     10       5.8896      2.00000
     11       8.8317     -0.02097
     12       8.8757     -0.06699
     13       9.3438      0.00000
     14       9.5429      0.00000
     15       9.6260      0.00000
     16       9.8304      0.00000
     17       9.9425      0.00000
     18       9.9535      0.00000
     19      11.6576      0.00000
     20      12.1461      0.00000
     21      16.7899      0.00000
     22      23.0013      0.00000
     23      25.2012      0.00000
     24      25.9563      0.00000
     25      26.2509      0.00000
     26      27.0165      0.00000
     27      27.7076      0.00000
     28      29.8265      0.00000
     29      30.3797      0.00000
     30      30.5730      0.00000
     31      32.4334      0.00000
     32      33.2212      0.00000
     33      33.3915      0.00000
     34      34.1075      0.00000
     35      35.4524      0.00000
     36      35.4547      0.00000
     37      38.0028      0.00000
     38      39.6258      0.00000
     39      40.1076      0.00000
     40      41.7058      0.00000
     41      46.4792      0.00000
     42      48.1324      0.00000
     43      48.2494      0.00000
     44      48.8978      0.00000
     45      50.1502      0.00000
     46      52.0456      0.00000
     47      52.2011      0.00000
     48      52.8528      0.00000
     49      55.2475      0.00000
     50      55.8426      0.00000
     51      56.0059      0.00000
     52      58.3202      0.00000
     53      59.0787      0.00000
     54      61.8214      0.00000
     55      61.8637      0.00000
     56      65.4277      0.00000

 k-point     3 :       0.1667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -48.3728      2.00000
      2     -48.2471      2.00000
      3     -24.9633      2.00000
      4     -24.4793      2.00000
      5     -24.3982      2.00000
      6     -24.3794      2.00000
      7     -24.3267      2.00000
      8     -24.2739      2.00000
      9       3.0183      2.00000
     10       6.2835      2.00000
     11       8.1410      2.01604
     12       8.4085      1.33086
     13       9.3431      0.00000
     14       9.6961      0.00000
     15       9.7296      0.00000
     16       9.7430      0.00000
     17       9.9273      0.00000
     18      10.1809      0.00000
     19      11.7778      0.00000
     20      13.2607      0.00000
     21      16.7319      0.00000
     22      21.8876      0.00000
     23      24.4368      0.00000
     24      24.5897      0.00000
     25      25.5776      0.00000
     26      26.1244      0.00000
     27      27.5590      0.00000
     28      30.0144      0.00000
     29      31.2861      0.00000
     30      31.4343      0.00000
     31      31.7342      0.00000
     32      32.9515      0.00000
     33      34.0371      0.00000
     34      34.6815      0.00000
     35      34.9264      0.00000
     36      36.2491      0.00000
     37      40.1160      0.00000
     38      40.7008      0.00000
     39      41.6204      0.00000
     40      43.6112      0.00000
     41      46.0062      0.00000
     42      46.8663      0.00000
     43      46.9626      0.00000
     44      48.6170      0.00000
     45      50.4018      0.00000
     46      51.3532      0.00000
     47      53.4009      0.00000
     48      54.1997      0.00000
     49      54.8441      0.00000
     50      55.3079      0.00000
     51      56.7560      0.00000
     52      58.5883      0.00000
     53      60.8268      0.00000
     54      61.4099      0.00000
     55      62.0055      0.00000
     56      62.9238      0.00000

 k-point     4 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -48.3440      2.00000
      2     -48.2379      2.00000
      3     -24.8964      2.00000
      4     -24.6005      2.00000
      5     -24.4966      2.00000
      6     -24.4348      2.00000
      7     -24.3598      2.00000
      8     -24.2919      2.00000
      9       3.8626      2.00000
     10       6.6698      2.00000
     11       7.4873      2.00000
     12       7.9981      2.00000
     13       9.1474      0.00000
     14       9.3992      0.00000
     15       9.4853      0.00000
     16      10.3464      0.00000
     17      10.4103      0.00000
     18      10.6991      0.00000
     19      11.8903      0.00000
     20      14.5597      0.00000
     21      16.6435      0.00000
     22      19.7886      0.00000
     23      22.7448      0.00000
     24      23.7745      0.00000
     25      24.5627      0.00000
     26      25.8192      0.00000
     27      27.7455      0.00000
     28      30.1853      0.00000
     29      30.2381      0.00000
     30      30.5726      0.00000
     31      31.4092      0.00000
     32      34.1053      0.00000
     33      35.3450      0.00000
     34      35.8503      0.00000
     35      36.3146      0.00000
     36      39.3379      0.00000
     37      40.1276      0.00000
     38      41.9690      0.00000
     39      43.7607      0.00000
     40      44.1375      0.00000
     41      44.7967      0.00000
     42      47.2039      0.00000
     43      47.3251      0.00000
     44      49.2345      0.00000
     45      50.0841      0.00000
     46      50.7347      0.00000
     47      53.5184      0.00000
     48      53.8385      0.00000
     49      54.0116      0.00000
     50      55.0946      0.00000
     51      56.1003      0.00000
     52      59.1651      0.00000
     53      60.7300      0.00000
     54      60.9018      0.00000
     55      61.1923      0.00000
     56      62.8824      0.00000

 k-point     5 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -48.3125      2.00000
      2     -48.2311      2.00000
      3     -24.8177      2.00000
      4     -24.7227      2.00000
      5     -24.6097      2.00000
      6     -24.4703      2.00000
      7     -24.4042      2.00000
      8     -24.3108      2.00000
      9       4.8337      2.00000
     10       6.6842      2.00000
     11       6.9814      2.00000
     12       7.8198      2.00000
     13       9.1410      0.00000
     14       9.2391      0.00000
     15       9.2615      0.00000
     16      11.0376      0.00000
     17      11.0866      0.00000
     18      11.2829      0.00000
     19      11.9674      0.00000
     20      15.9104      0.00000
     21      16.3220      0.00000
     22      18.0010      0.00000
     23      21.2801      0.00000
     24      22.2619      0.00000
     25      23.6548      0.00000
     26      25.0557      0.00000
     27      26.9717      0.00000
     28      28.9782      0.00000
     29      30.4332      0.00000
     30      31.0932      0.00000
     31      32.5812      0.00000
     32      34.2511      0.00000
     33      37.2742      0.00000
     34      38.2558      0.00000
     35      38.3133      0.00000
     36      40.3981      0.00000
     37      41.4170      0.00000
     38      41.7248      0.00000
     39      43.1763      0.00000
     40      44.0574      0.00000
     41      46.8023      0.00000
     42      48.2741      0.00000
     43      48.7274      0.00000
     44      49.4810      0.00000
     45      50.1001      0.00000
     46      50.6686      0.00000
     47      51.4353      0.00000
     48      51.4420      0.00000
     49      53.0033      0.00000
     50      55.0088      0.00000
     51      56.4540      0.00000
     52      57.8798      0.00000
     53      59.5477      0.00000
     54      60.5714      0.00000
     55      60.7801      0.00000
     56      61.2731      0.00000

 k-point     6 :       0.4167    0.0000    0.0000
  band No.  band energies     occupation 
      1     -48.2873      2.00000
      2     -48.2290      2.00000
      3     -24.8124      2.00000
      4     -24.7445      2.00000
      5     -24.6902      2.00000
      6     -24.4959      2.00000
      7     -24.4528      2.00000
      8     -24.3254      2.00000
      9       5.6697      2.00000
     10       6.4596      2.00000
     11       6.6648      2.00000
     12       7.7871      2.00000
     13       8.9687      0.00000
     14       9.1065      0.00000
     15       9.4952      0.00000
     16      11.5963      0.00000
     17      11.8003      0.00000
     18      11.9956      0.00000
     19      12.0089      0.00000
     20      15.0060      0.00000
     21      17.1691      0.00000
     22      17.6877      0.00000
     23      20.2154      0.00000
     24      21.0110      0.00000
     25      22.0530      0.00000
     26      24.3703      0.00000
     27      26.8167      0.00000
     28      27.8504      0.00000
     29      30.5609      0.00000
     30      31.9948      0.00000
     31      34.2226      0.00000
     32      34.4191      0.00000
     33      38.5206      0.00000
     34      39.6608      0.00000
     35      40.2695      0.00000
     36      40.6912      0.00000
     37      42.1788      0.00000
     38      42.2026      0.00000
     39      43.8135      0.00000
     40      43.9992      0.00000
     41      46.8662      0.00000
     42      48.2533      0.00000
     43      48.2723      0.00000
     44      48.5294      0.00000
     45      50.3990      0.00000
     46      50.8968      0.00000
     47      51.1352      0.00000
     48      51.5668      0.00000
     49      53.8667      0.00000
     50      54.0014      0.00000
     51      55.2596      0.00000
     52      55.2953      0.00000
     53      59.6002      0.00000
     54      60.3788      0.00000
     55      61.4145      0.00000
     56      61.5432      0.00000

 k-point     7 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -48.2767      2.00000
      2     -48.2298      2.00000
      3     -24.8451      2.00000
      4     -24.7193      2.00000
      5     -24.7100      2.00000
      6     -24.5051      2.00000
      7     -24.4781      2.00000
      8     -24.3310      2.00000
      9       6.0945      2.00000
     10       6.2510      2.00000
     11       6.5571      2.00000
     12       7.8084      2.00000
     13       8.9084      0.00000
     14       9.0515      0.00000
     15       9.6058      0.00000
     16      11.8009      0.00000
     17      12.0216      0.00000
     18      12.0328      0.00000
     19      12.8231      0.00000
     20      13.8778      0.00000
     21      17.8411      0.00000
     22      17.8985      0.00000
     23      19.8094      0.00000
     24      20.3620      0.00000
     25      21.2171      0.00000
     26      24.1078      0.00000
     27      26.8201      0.00000
     28      27.4433      0.00000
     29      30.6052      0.00000
     30      32.3272      0.00000
     31      34.1466      0.00000
     32      35.9332      0.00000
     33      37.9939      0.00000
     34      38.7983      0.00000
     35      41.4339      0.00000
     36      42.9770      0.00000
     37      43.0225      0.00000
     38      43.1591      0.00000
     39      43.8676      0.00000
     40      44.0640      0.00000
     41      44.6750      0.00000
     42      46.8572      0.00000
     43      46.9558      0.00000
     44      49.7357      0.00000
     45      50.5738      0.00000
     46      50.5889      0.00000
     47      51.6627      0.00000
     48      52.3352      0.00000
     49      53.6356      0.00000
     50      54.1118      0.00000
     51      54.1378      0.00000
     52      56.9022      0.00000
     53      58.0900      0.00000
     54      59.0609      0.00000
     55      61.9663      0.00000
     56      62.1444      0.00000

 k-point     8 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -48.3788      2.00000
      2     -48.2493      2.00000
      3     -24.9776      2.00000
      4     -24.4447      2.00000
      5     -24.4041      2.00000
      6     -24.3390      2.00000
      7     -24.3199      2.00000
      8     -24.2741      2.00000
      9       2.8374      2.00000
     10       6.1677      2.00000
     11       8.3378      1.69080
     12       8.5263      0.60849
     13       9.4341      0.00000
     14       9.6299      0.00000
     15       9.6493      0.00000
     16       9.7604      0.00000
     17       9.9147      0.00000
     18      10.1010      0.00000
     19      11.7299      0.00000
     20      12.9433      0.00000
     21      16.7521      0.00000
     22      22.5543      0.00000
     23      23.7138      0.00000
     24      26.0495      0.00000
     25      26.1008      0.00000
     26      26.1569      0.00000
     27      26.8662      0.00000
     28      29.6673      0.00000
     29      31.6622      0.00000
     30      32.0385      0.00000
     31      32.2626      0.00000
     32      32.3822      0.00000
     33      33.7105      0.00000
     34      33.9256      0.00000
     35      34.8536      0.00000
     36      35.9214      0.00000
     37      39.9068      0.00000
     38      40.4336      0.00000
     39      40.8339      0.00000
     40      43.3183      0.00000
     41      46.3231      0.00000
     42      46.7068      0.00000
     43      47.4622      0.00000
     44      48.5384      0.00000
     45      50.2049      0.00000
     46      51.9275      0.00000
     47      52.9224      0.00000
     48      53.9077      0.00000
     49      54.8253      0.00000
     50      55.6587      0.00000
     51      57.1524      0.00000
     52      57.8709      0.00000
     53      60.3317      0.00000
     54      61.5447      0.00000
     55      62.5089      0.00000
     56      63.5609      0.00000

 k-point     9 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -48.3546      2.00000
      2     -48.2413      2.00000
      3     -24.9220      2.00000
      4     -24.5411      2.00000
      5     -24.4824      2.00000
      6     -24.3981      2.00000
      7     -24.3466      2.00000
      8     -24.2959      2.00000
      9       3.5441      2.00000
     10       6.5944      2.00000
     11       7.7261      2.00000
     12       8.0700      2.11269
     13       9.2145      0.00000
     14       9.3174      0.00000
     15       9.7475      0.00000
     16      10.0722      0.00000
     17      10.1601      0.00000
     18      10.5993      0.00000
     19      11.8203      0.00000
     20      14.1086      0.00000
     21      16.6951      0.00000
     22      20.8937      0.00000
     23      22.2270      0.00000
     24      24.4741      0.00000
     25      25.7363      0.00000
     26      25.9524      0.00000
     27      27.3934      0.00000
     28      29.5477      0.00000
     29      29.9955      0.00000
     30      32.3707      0.00000
     31      32.4712      0.00000
     32      33.0718      0.00000
     33      34.5744      0.00000
     34      34.7667      0.00000
     35      35.0270      0.00000
     36      38.8056      0.00000
     37      40.2193      0.00000
     38      42.1359      0.00000
     39      42.5844      0.00000
     40      44.2870      0.00000
     41      45.6275      0.00000
     42      46.2669      0.00000
     43      46.8621      0.00000
     44      49.1516      0.00000
     45      49.7019      0.00000
     46      51.0879      0.00000
     47      53.6184      0.00000
     48      54.6678      0.00000
     49      55.0057      0.00000
     50      55.2020      0.00000
     51      55.6539      0.00000
     52      60.2637      0.00000
     53      60.3814      0.00000
     54      60.6920      0.00000
     55      61.2329      0.00000
     56      63.0475      0.00000

 k-point    10 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1     -48.3246      2.00000
      2     -48.2333      2.00000
      3     -24.8485      2.00000
      4     -24.6607      2.00000
      5     -24.5756      2.00000
      6     -24.4536      2.00000
      7     -24.3860      2.00000
      8     -24.3191      2.00000
      9       4.4691      2.00000
     10       6.8304      2.00000
     11       7.1911      2.00000
     12       7.7608      2.00000
     13       9.0521      0.00000
     14       9.1600      0.00000
     15       9.4925      0.00000
     16      10.5461      0.00000
     17      10.8291      0.00000
     18      11.2335      0.00000
     19      11.8968      0.00000
     20      15.4194      0.00000
     21      16.6058      0.00000
     22      18.7828      0.00000
     23      20.9982      0.00000
     24      22.9707      0.00000
     25      24.6947      0.00000
     26      25.2264      0.00000
     27      27.6467      0.00000
     28      28.4207      0.00000
     29      30.0354      0.00000
     30      32.2781      0.00000
     31      32.7625      0.00000
     32      33.8223      0.00000
     33      35.6798      0.00000
     34      36.4952      0.00000
     35      37.5129      0.00000
     36      39.7865      0.00000
     37      41.6650      0.00000
     38      42.3510      0.00000
     39      43.8012      0.00000
     40      44.4686      0.00000
     41      45.5641      0.00000
     42      47.2638      0.00000
     43      47.3818      0.00000
     44      48.7060      0.00000
     45      50.6212      0.00000
     46      51.3067      0.00000
     47      51.8239      0.00000
     48      52.6461      0.00000
     49      54.8658      0.00000
     50      55.1565      0.00000
     51      56.1455      0.00000
     52      59.0191      0.00000
     53      59.5695      0.00000
     54      59.9574      0.00000
     55      61.7021      0.00000
     56      62.0457      0.00000

 k-point    11 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1     -48.2961      2.00000
      2     -48.2297      2.00000
      3     -24.7705      2.00000
      4     -24.7665      2.00000
      5     -24.6571      2.00000
      6     -24.4967      2.00000
      7     -24.4347      2.00000
      8     -24.3391      2.00000
      9       5.4064      2.00000
     10       6.6742      2.00000
     11       6.8074      2.00000
     12       7.6937      2.00000
     13       8.8939      0.00000
     14       9.2327      0.00000
     15       9.3834      0.00000
     16      11.1674      0.00000
     17      11.4485      0.00000
     18      11.9398      0.00000
     19      11.9448      0.00000
     20      15.8605      0.00000
     21      16.7483      0.00000
     22      17.6880      0.00000
     23      19.8900      0.00000
     24      21.6586      0.00000
     25      22.9490      0.00000
     26      24.3938      0.00000
     27      27.1755      0.00000
     28      27.7962      0.00000
     29      30.5910      0.00000
     30      32.8158      0.00000
     31      33.8641      0.00000
     32      34.1627      0.00000
     33      37.0441      0.00000
     34      38.5906      0.00000
     35      39.7055      0.00000
     36      40.6217      0.00000
     37      41.0857      0.00000
     38      42.3194      0.00000
     39      43.9713      0.00000
     40      44.5799      0.00000
     41      46.5042      0.00000
     42      48.0094      0.00000
     43      48.7707      0.00000
     44      49.3001      0.00000
     45      50.3342      0.00000
     46      50.5380      0.00000
     47      51.3614      0.00000
     48      51.6224      0.00000
     49      54.3481      0.00000
     50      54.5861      0.00000
     51      54.7517      0.00000
     52      57.5515      0.00000
     53      59.7330      0.00000
     54      60.4202      0.00000
     55      60.5428      0.00000
     56      61.2674      0.00000

 k-point    12 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1     -48.2765      2.00000
      2     -48.2299      2.00000
      3     -24.8275      2.00000
      4     -24.7108      2.00000
      5     -24.7042      2.00000
      6     -24.5199      2.00000
      7     -24.4774      2.00000
      8     -24.3507      2.00000
      9       6.0655      2.00000
     10       6.4388      2.00000
     11       6.6083      2.00000
     12       7.7140      2.00000
     13       8.8482      0.00000
     14       9.0484      0.00000
     15       9.6014      0.00000
     16      11.7284      0.00000
     17      11.8147      0.00000
     18      11.9665      0.00000
     19      12.6964      0.00000
     20      14.4069      0.00000
     21      17.8488      0.00000
     22      17.9304      0.00000
     23      19.1914      0.00000
     24      20.6195      0.00000
     25      21.4872      0.00000
     26      23.8871      0.00000
     27      26.6106      0.00000
     28      27.7264      0.00000
     29      30.8436      0.00000
     30      33.2227      0.00000
     31      34.1438      0.00000
     32      35.5064      0.00000
     33      38.2780      0.00000
     34      38.7428      0.00000
     35      40.4393      0.00000
     36      40.9441      0.00000
     37      42.5570      0.00000
     38      43.2044      0.00000
     39      43.2765      0.00000
     40      44.0965      0.00000
     41      46.8157      0.00000
     42      47.2026      0.00000
     43      48.1333      0.00000
     44      49.2146      0.00000
     45      50.7857      0.00000
     46      51.1314      0.00000
     47      51.4608      0.00000
     48      52.2963      0.00000
     49      53.2110      0.00000
     50      53.8600      0.00000
     51      55.1709      0.00000
     52      56.8262      0.00000
     53      59.2646      0.00000
     54      59.3738      0.00000
     55      61.0740      0.00000
     56      62.0687      0.00000

 k-point    13 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -48.3288      2.00000
      2     -48.2340      2.00000
      3     -24.8591      2.00000
      4     -24.6062      2.00000
      5     -24.5955      2.00000
      6     -24.4328      2.00000
      7     -24.3798      2.00000
      8     -24.3364      2.00000
      9       4.3459      2.00000
     10       6.9594      2.00000
     11       7.2965      2.00000
     12       7.6469      2.00000
     13       8.9645      0.00000
     14       9.1534      0.00000
     15       9.6172      0.00000
     16      10.3050      0.00000
     17      10.7844      0.00000
     18      11.2355      0.00000
     19      11.8393      0.00000
     20      15.2647      0.00000
     21      16.6998      0.00000
     22      19.7794      0.00000
     23      19.9573      0.00000
     24      23.3567      0.00000
     25      25.1723      0.00000
     26      26.1026      0.00000
     27      26.2136      0.00000
     28      29.5094      0.00000
     29      29.6727      0.00000
     30      32.3801      0.00000
     31      34.0994      0.00000
     32      34.3196      0.00000
     33      34.6472      0.00000
     34      34.7601      0.00000
     35      36.4915      0.00000
     36      39.8849      0.00000
     37      42.0140      0.00000
     38      42.7354      0.00000
     39      44.2093      0.00000
     40      45.0455      0.00000
     41      45.1327      0.00000
     42      46.2986      0.00000
     43      46.4869      0.00000
     44      48.6553      0.00000
     45      49.7809      0.00000
     46      51.3624      0.00000
     47      53.0129      0.00000
     48      54.1890      0.00000
     49      54.4102      0.00000
     50      55.0876      0.00000
     51      57.4181      0.00000
     52      58.0198      0.00000
     53      59.0891      0.00000
     54      60.8168      0.00000
     55      62.3765      0.00000
     56      63.1216      0.00000

 k-point    14 :       0.2500    0.1667    0.0000
  band No.  band energies     occupation 
      1     -48.3009      2.00000
      2     -48.2297      2.00000
      3     -24.7845      2.00000
      4     -24.7059      2.00000
      5     -24.6523      2.00000
      6     -24.4898      2.00000
      7     -24.4252      2.00000
      8     -24.3747      2.00000
      9       5.2842      2.00000
     10       6.9470      2.00000
     11       7.0248      2.00000
     12       7.4354      2.00000
     13       8.7442      0.00000
     14       9.2994      0.00000
     15       9.3601      0.00000
     16      10.6883      0.00000
     17      11.4155      0.00000
     18      11.8514      0.00000
     19      11.9647      0.00000
     20      16.5676      0.00000
     21      16.6153      0.00000
     22      17.9683      0.00000
     23      18.8398      0.00000
     24      22.3121      0.00000
     25      24.1082      0.00000
     26      24.1628      0.00000
     27      25.6415      0.00000
     28      29.7495      0.00000
     29      30.5115      0.00000
     30      33.3112      0.00000
     31      34.3807      0.00000
     32      34.5609      0.00000
     33      35.8660      0.00000
     34      36.3517      0.00000
     35      37.7500      0.00000
     36      40.6644      0.00000
     37      42.5619      0.00000
     38      42.5975      0.00000
     39      44.0364      0.00000
     40      45.3954      0.00000
     41      45.9319      0.00000
     42      47.2762      0.00000
     43      47.6837      0.00000
     44      47.9835      0.00000
     45      50.5395      0.00000
     46      50.9989      0.00000
     47      52.9943      0.00000
     48      53.1093      0.00000
     49      54.7730      0.00000
     50      54.8730      0.00000
     51      55.4022      0.00000
     52      58.5555      0.00000
     53      59.3818      0.00000
     54      59.4949      0.00000
     55      61.3977      0.00000
     56      62.4661      0.00000

 k-point    15 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1     -48.2767      2.00000
      2     -48.2301      2.00000
      3     -24.7813      2.00000
      4     -24.7123      2.00000
      5     -24.6788      2.00000
      6     -24.5454      2.00000
      7     -24.4759      2.00000
      8     -24.4003      2.00000
      9       6.1022      2.00000
     10       6.7225      2.00000
     11       6.7897      2.00000
     12       7.4763      2.00000
     13       8.6810      0.00000
     14       9.0802      0.00000
     15       9.5818      0.00000
     16      11.1998      0.00000
     17      11.7868      0.00000
     18      11.8568      0.00000
     19      12.7187      0.00000
     20      15.3475      0.00000
     21      17.7853      0.00000
     22      17.8673      0.00000
     23      18.1507      0.00000
     24      21.2655      0.00000
     25      22.2731      0.00000
     26      23.3124      0.00000
     27      25.0395      0.00000
     28      29.7505      0.00000
     29      31.3501      0.00000
     30      33.9571      0.00000
     31      35.0567      0.00000
     32      35.2429      0.00000
     33      36.5460      0.00000
     34      38.2251      0.00000
     35      38.7884      0.00000
     36      40.3393      0.00000
     37      42.5057      0.00000
     38      42.9595      0.00000
     39      43.1941      0.00000
     40      43.6050      0.00000
     41      47.2636      0.00000
     42      47.9284      0.00000
     43      49.1041      0.00000
     44      49.7012      0.00000
     45      50.6278      0.00000
     46      51.6953      0.00000
     47      51.8777      0.00000
     48      52.7468      0.00000
     49      53.1131      0.00000
     50      54.3372      0.00000
     51      56.3181      0.00000
     52      57.9028      0.00000
     53      59.2401      0.00000
     54      59.3818      0.00000
     55      60.7988      0.00000
     56      62.0160      0.00000

 k-point    16 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1     -48.2659      2.00000
      2     -48.2320      2.00000
      3     -24.8084      2.00000
      4     -24.6852      2.00000
      5     -24.6754      2.00000
      6     -24.5694      2.00000
      7     -24.5049      2.00000
      8     -24.4094      2.00000
      9       6.4769      2.00000
     10       6.6347      2.00000
     11       6.6454      2.00000
     12       7.5133      2.00000
     13       8.7140      0.00000
     14       8.9233      0.00000
     15       9.7152      0.00000
     16      11.5768      0.00000
     17      11.7987      0.00000
     18      11.8579      0.00000
     19      13.2768      0.00000
     20      14.3661      0.00000
     21      17.6086      0.00000
     22      18.4197      0.00000
     23      18.6424      0.00000
     24      20.5782      0.00000
     25      21.3308      0.00000
     26      23.0390      0.00000
     27      24.7932      0.00000
     28      29.7250      0.00000
     29      31.6637      0.00000
     30      34.0646      0.00000
     31      35.0029      0.00000
     32      36.0157      0.00000
     33      37.7286      0.00000
     34      38.7104      0.00000
     35      39.3400      0.00000
     36      39.5640      0.00000
     37      41.3271      0.00000
     38      42.6622      0.00000
     39      42.8233      0.00000
     40      45.5790      0.00000
     41      47.5290      0.00000
     42      47.5928      0.00000
     43      48.0631      0.00000
     44      50.3065      0.00000
     45      51.0006      0.00000
     46      51.5760      0.00000
     47      52.2591      0.00000
     48      52.5974      0.00000
     49      53.1690      0.00000
     50      54.7010      0.00000
     51      57.0609      0.00000
     52      57.8789      0.00000
     53      58.0199      0.00000
     54      59.3270      0.00000
     55      60.4398      0.00000
     56      61.6623      0.00000

 k-point    17 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -48.2768      2.00000
      2     -48.2299      2.00000
      3     -24.7420      2.00000
      4     -24.7129      2.00000
      5     -24.6858      2.00000
      6     -24.5432      2.00000
      7     -24.4752      2.00000
      8     -24.4366      2.00000
      9       6.1391      2.00000
     10       6.7874      2.00000
     11       7.1135      2.00000
     12       7.2032      2.00000
     13       8.5853      0.00000
     14       9.1020      0.00000
     15       9.5683      0.00000
     16      10.9445      0.00000
     17      11.7915      0.00000
     18      11.8020      0.00000
     19      12.7516      0.00000
     20      16.2124      0.00000
     21      16.8439      0.00000
     22      17.8777      0.00000
     23      18.1026      0.00000
     24      21.7961      0.00000
     25      22.8165      0.00000
     26      23.4620      0.00000
     27      23.5448      0.00000
     28      31.3312      0.00000
     29      31.6127      0.00000
     30      33.5962      0.00000
     31      35.1426      0.00000
     32      35.5608      0.00000
     33      36.6819      0.00000
     34      36.8988      0.00000
     35      37.4627      0.00000
     36      41.1572      0.00000
     37      42.5802      0.00000
     38      42.6007      0.00000
     39      42.8564      0.00000
     40      43.7446      0.00000
     41      47.3899      0.00000
     42      47.5477      0.00000
     43      48.8499      0.00000
     44      50.4846      0.00000
     45      50.7511      0.00000
     46      50.8226      0.00000
     47      53.4532      0.00000
     48      53.7022      0.00000
     49      54.2088      0.00000
     50      54.6437      0.00000
     51      54.6512      0.00000
     52      58.3432      0.00000
     53      59.2401      0.00000
     54      60.7880      0.00000
     55      61.0683      0.00000
     56      62.0002      0.00000

 k-point    18 :       0.3333    0.2500    0.0000
  band No.  band energies     occupation 
      1     -48.2581      2.00000
      2     -48.2344      2.00000
      3     -24.7687      2.00000
      4     -24.6657      2.00000
      5     -24.6487      2.00000
      6     -24.6041      2.00000
      7     -24.5267      2.00000
      8     -24.4754      2.00000
      9       6.7113      2.00000
     10       6.7194      2.00000
     11       6.9726      2.00000
     12       7.2559      2.00000
     13       8.5911      0.00000
     14       8.8438      0.00000
     15       9.8128      0.00000
     16      11.3012      0.00000
     17      11.7650      0.00000
     18      11.7726      0.00000
     19      13.5759      0.00000
     20      14.9721      0.00000
     21      16.1374      0.00000
     22      18.8492      0.00000
     23      19.1650      0.00000
     24      21.0467      0.00000
     25      21.8249      0.00000
     26      22.0227      0.00000
     27      23.1012      0.00000
     28      31.7294      0.00000
     29      32.7251      0.00000
     30      34.2554      0.00000
     31      35.6620      0.00000
     32      36.0035      0.00000
     33      36.6828      0.00000
     34      37.7657      0.00000
     35      38.4608      0.00000
     36      39.2041      0.00000
     37      40.5462      0.00000
     38      42.9701      0.00000
     39      43.4215      0.00000
     40      44.9328      0.00000
     41      46.4339      0.00000
     42      48.0257      0.00000
     43      48.7652      0.00000
     44      50.1035      0.00000
     45      52.3518      0.00000
     46      52.7312      0.00000
     47      53.6672      0.00000
     48      54.0123      0.00000
     49      54.0569      0.00000
     50      54.8679      0.00000
     51      55.8328      0.00000
     52      58.2279      0.00000
     53      58.2425      0.00000
     54      59.4754      0.00000
     55      60.4687      0.00000
     56      60.9365      0.00000

 k-point    19 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1     -48.2439      2.00000
      2     -48.2439      2.00000
      3     -24.7533      2.00000
      4     -24.6407      2.00000
      5     -24.6407      2.00000
      6     -24.5854      2.00000
      7     -24.5854      2.00000
      8     -24.5193      2.00000
      9       6.7189      2.00000
     10       7.0386      2.00000
     11       7.0386      2.00000
     12       7.1243      2.00000
     13       8.6510      0.00000
     14       8.6510      0.00000
     15       9.9358      0.00000
     16      11.5067      0.00000
     17      11.5067      0.00000
     18      11.7394      0.00000
     19      14.4469      0.00000
     20      14.8788      0.00000
     21      14.8788      0.00000
     22      19.5289      0.00000
     23      20.5080      0.00000
     24      20.5080      0.00000
     25      21.1517      0.00000
     26      21.8679      0.00000
     27      21.8679      0.00000
     28      32.4244      0.00000
     29      34.4381      0.00000
     30      34.4381      0.00000
     31      35.4034      0.00000
     32      35.4034      0.00000
     33      37.1895      0.00000
     34      37.6023      0.00000
     35      38.6414      0.00000
     36      38.6414      0.00000
     37      38.7458      0.00000
     38      44.4740      0.00000
     39      44.4740      0.00000
     40      44.5634      0.00000
     41      45.9119      0.00000
     42      45.9119      0.00000
     43      49.8215      0.00000
     44      49.8215      0.00000
     45      53.5147      0.00000
     46      54.2187      0.00000
     47      54.2188      0.00000
     48      54.2323      0.00000
     49      54.9402      0.00000
     50      55.8857      0.00000
     51      55.8858      0.00000
     52      57.3125      0.00000
     53      58.2834      0.00000
     54      58.2834      0.00000
     55      60.3580      0.00000
     56      60.3580      0.00000

 k-point    20 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -48.3942      2.00000
      2     -48.2631      2.00000
      3     -24.9967      2.00000
      4     -24.3558      2.00000
      5     -24.3558      2.00000
      6     -24.3287      2.00000
      7     -24.2612      2.00000
      8     -24.2612      2.00000
      9       2.3963      2.00000
     10       5.6708      2.00000
     11       8.9739     -0.20235
     12       9.1431      0.00000
     13       9.1431      0.00000
     14       9.2341      0.00000
     15       9.6351      0.00000
     16       9.6351      0.00000
     17      10.2089      0.00000
     18      10.2089      0.00000
     19      11.6081      0.00000
     20      11.6081      0.00000
     21      17.2953      0.00000
     22      22.8819      0.00000
     23      25.3800      0.00000
     24      25.9059      0.00000
     25      27.6027      0.00000
     26      27.6027      0.00000
     27      28.8058      0.00000
     28      28.8059      0.00000
     29      29.9341      0.00000
     30      29.9341      0.00000
     31      31.2259      0.00000
     32      32.9923      0.00000
     33      33.4397      0.00000
     34      33.4397      0.00000
     35      37.2717      0.00000
     36      37.2717      0.00000
     37      37.2750      0.00000
     38      39.2224      0.00000
     39      39.2224      0.00000
     40      40.4868      0.00000
     41      46.1163      0.00000
     42      47.8899      0.00000
     43      47.8899      0.00000
     44      49.3192      0.00000
     45      49.3192      0.00000
     46      51.5761      0.00000
     47      52.3447      0.00000
     48      52.3447      0.00000
     49      54.4755      0.00000
     50      56.5429      0.00000
     51      56.5429      0.00000
     52      58.8856      0.00000
     53      60.3778      0.00000
     54      61.7324      0.00000
     55      62.4837      0.00000
     56      64.0831      0.00000

 k-point    21 :       0.0833    0.0000    0.1250
  band No.  band energies     occupation 
      1     -48.3874      2.00000
      2     -48.2600      2.00000
      3     -24.9827      2.00000
      4     -24.3870      2.00000
      5     -24.3662      2.00000
      6     -24.3439      2.00000
      7     -24.2848      2.00000
      8     -24.2657      2.00000
      9       2.5880      2.00000
     10       5.8290      2.00000
     11       8.6234      0.55581
     12       8.8700     -0.03255
     13       9.2636      0.00000
     14       9.3658      0.00000
     15       9.6063      0.00000
     16       9.7452      0.00000
     17      10.1357      0.00000
     18      10.1526      0.00000
     19      11.6570      0.00000
     20      12.0402      0.00000
     21      17.2986      0.00000
     22      22.8844      0.00000
     23      25.0289      0.00000
     24      25.9014      0.00000
     25      26.2975      0.00000
     26      26.5410      0.00000
     27      28.2774      0.00000
     28      29.4388      0.00000
     29      30.6334      0.00000
     30      30.6421      0.00000
     31      31.7910      0.00000
     32      32.9336      0.00000
     33      33.6156      0.00000
     34      33.9118      0.00000
     35      36.0080      0.00000
     36      36.0528      0.00000
     37      38.2526      0.00000
     38      39.9910      0.00000
     39      40.5433      0.00000
     40      41.6041      0.00000
     41      45.3527      0.00000
     42      46.9575      0.00000
     43      47.6602      0.00000
     44      49.1789      0.00000
     45      49.9315      0.00000
     46      51.7187      0.00000
     47      52.8439      0.00000
     48      52.8505      0.00000
     49      55.3903      0.00000
     50      55.7656      0.00000
     51      56.5553      0.00000
     52      58.3897      0.00000
     53      60.9358      0.00000
     54      61.5782      0.00000
     55      62.8650      0.00000
     56      64.8974      0.00000

 k-point    22 :       0.1667    0.0000    0.1250
  band No.  band energies     occupation 
      1     -48.3677      2.00000
      2     -48.2518      2.00000
      3     -24.9431      2.00000
      4     -24.4729      2.00000
      5     -24.4105      2.00000
      6     -24.3936      2.00000
      7     -24.3230      2.00000
      8     -24.2786      2.00000
      9       3.1391      2.00000
     10       6.2406      2.00000
     11       7.9833      2.04930
     12       8.4332      1.16786
     13       9.2847      0.00000
     14       9.5115      0.00000
     15       9.5337      0.00000
     16       9.9475      0.00000
     17      10.1823      0.00000
     18      10.1939      0.00000
     19      11.7585      0.00000
     20      12.9590      0.00000
     21      17.3281      0.00000
     22      21.9306      0.00000
     23      24.3494      0.00000
     24      24.5627      0.00000
     25      25.1884      0.00000
     26      26.1405      0.00000
     27      28.0743      0.00000
     28      29.5381      0.00000
     29      30.3572      0.00000
     30      31.6073      0.00000
     31      31.7932      0.00000
     32      33.1108      0.00000
     33      34.0931      0.00000
     34      35.2192      0.00000
     35      35.5207      0.00000
     36      36.3586      0.00000
     37      40.3853      0.00000
     38      40.5556      0.00000
     39      42.0610      0.00000
     40      43.3640      0.00000
     41      44.3008      0.00000
     42      46.0158      0.00000
     43      47.2885      0.00000
     44      49.1788      0.00000
     45      50.5764      0.00000
     46      51.3520      0.00000
     47      53.7498      0.00000
     48      53.7964      0.00000
     49      54.7719      0.00000
     50      56.3279      0.00000
     51      56.8312      0.00000
     52      57.7235      0.00000
     53      60.9373      0.00000
     54      61.9348      0.00000
     55      62.6897      0.00000
     56      63.4682      0.00000

 k-point    23 :       0.2500    0.0000    0.1250
  band No.  band energies     occupation 
      1     -48.3398      2.00000
      2     -48.2421      2.00000
      3     -24.8870      2.00000
      4     -24.5889      2.00000
      5     -24.5200      2.00000
      6     -24.4297      2.00000
      7     -24.3577      2.00000
      8     -24.2973      2.00000
      9       3.9633      2.00000
     10       6.6582      2.00000
     11       7.3892      2.00000
     12       8.0386      2.00798
     13       9.0404      0.00000
     14       9.4221      0.00000
     15       9.4679      0.00000
     16      10.3885      0.00000
     17      10.5109      0.00000
     18      10.6521      0.00000
     19      11.8522      0.00000
     20      13.9660      0.00000
     21      17.4438      0.00000
     22      19.8827      0.00000
     23      22.9248      0.00000
     24      23.3371      0.00000
     25      24.5692      0.00000
     26      25.9016      0.00000
     27      28.0775      0.00000
     28      29.1509      0.00000
     29      30.0284      0.00000
     30      30.7077      0.00000
     31      31.4427      0.00000
     32      34.9518      0.00000
     33      35.6672      0.00000
     34      36.0195      0.00000
     35      36.2263      0.00000
     36      38.7264      0.00000
     37      40.5435      0.00000
     38      42.3566      0.00000
     39      42.7104      0.00000
     40      43.6637      0.00000
     41      45.9115      0.00000
     42      46.4704      0.00000
     43      46.5367      0.00000
     44      48.9668      0.00000
     45      51.0939      0.00000
     46      51.3601      0.00000
     47      53.5127      0.00000
     48      53.7612      0.00000
     49      54.2490      0.00000
     50      55.3965      0.00000
     51      55.9911      0.00000
     52      58.5897      0.00000
     53      60.4139      0.00000
     54      61.2434      0.00000
     55      61.6003      0.00000
     56      61.8899      0.00000

 k-point    24 :       0.3333    0.0000    0.1250
  band No.  band energies     occupation 
      1     -48.3100      2.00000
      2     -48.2344      2.00000
      3     -24.8387      2.00000
      4     -24.6900      2.00000
      5     -24.6274      2.00000
      6     -24.4645      2.00000
      7     -24.3985      2.00000
      8     -24.3172      2.00000
      9       4.8912      2.00000
     10       6.6659      2.00000
     11       6.9906      2.00000
     12       7.8439      2.00000
     13       9.0472      0.00000
     14       9.2064      0.00000
     15       9.4074      0.00000
     16      11.0528      0.00000
     17      11.0970      0.00000
     18      11.2002      0.00000
     19      11.9206      0.00000
     20      14.7498      0.00000
     21      17.5265      0.00000
     22      18.1643      0.00000
     23      21.5041      0.00000
     24      21.8275      0.00000
     25      23.8947      0.00000
     26      25.2437      0.00000
     27      27.1152      0.00000
     28      28.1773      0.00000
     29      30.7253      0.00000
     30      31.1370      0.00000
     31      31.7283      0.00000
     32      35.7295      0.00000
     33      37.2169      0.00000
     34      37.9779      0.00000
     35      38.2268      0.00000
     36      38.8605      0.00000
     37      42.1983      0.00000
     38      42.4732      0.00000
     39      42.7073      0.00000
     40      45.0435      0.00000
     41      46.1570      0.00000
     42      47.6823      0.00000
     43      47.8238      0.00000
     44      49.3473      0.00000
     45      50.7178      0.00000
     46      51.0458      0.00000
     47      51.7500      0.00000
     48      52.4063      0.00000
     49      53.3097      0.00000
     50      55.1722      0.00000
     51      55.9073      0.00000
     52      57.5747      0.00000
     53      59.2716      0.00000
     54      60.5901      0.00000
     55      60.9939      0.00000
     56      61.0836      0.00000

 k-point    25 :       0.4167    0.0000    0.1250
  band No.  band energies     occupation 
      1     -48.2851      2.00000
      2     -48.2315      2.00000
      3     -24.8532      2.00000
      4     -24.7267      2.00000
      5     -24.6785      2.00000
      6     -24.4896      2.00000
      7     -24.4408      2.00000
      8     -24.3320      2.00000
      9       5.6359      2.00000
     10       6.4133      2.00000
     11       6.8480      2.00000
     12       7.6883      2.00000
     13       9.0496      0.00000
     14       9.2488      0.00000
     15       9.4597      0.00000
     16      11.5999      0.00000
     17      11.6661      0.00000
     18      11.9272      0.00000
     19      11.9809      0.00000
     20      14.5587      0.00000
     21      17.0281      0.00000
     22      18.1853      0.00000
     23      20.4758      0.00000
     24      20.7544      0.00000
     25      22.5787      0.00000
     26      24.5540      0.00000
     27      26.8397      0.00000
     28      27.2628      0.00000
     29      31.0964      0.00000
     30      31.7127      0.00000
     31      32.6048      0.00000
     32      36.2646      0.00000
     33      38.0446      0.00000
     34      38.3291      0.00000
     35      40.5056      0.00000
     36      40.8483      0.00000
     37      42.4477      0.00000
     38      42.8933      0.00000
     39      43.5768      0.00000
     40      44.8230      0.00000
     41      46.8363      0.00000
     42      46.9073      0.00000
     43      48.0981      0.00000
     44      49.6524      0.00000
     45      50.4289      0.00000
     46      50.7497      0.00000
     47      51.1255      0.00000
     48      52.5542      0.00000
     49      53.0243      0.00000
     50      54.3394      0.00000
     51      55.0601      0.00000
     52      56.3737      0.00000
     53      58.4638      0.00000
     54      60.9217      0.00000
     55      60.9934      0.00000
     56      61.8112      0.00000

 k-point    26 :       0.5000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -48.2749      2.00000
      2     -48.2314      2.00000
      3     -24.8750      2.00000
      4     -24.7479      2.00000
      5     -24.6661      2.00000
      6     -24.4986      2.00000
      7     -24.4626      2.00000
      8     -24.3377      2.00000
      9       5.9175      2.00000
     10       6.2699      2.00000
     11       6.8617      2.00000
     12       7.6066      2.00000
     13       8.9937      0.00000
     14       9.3300      0.00000
     15       9.5310      0.00000
     16      11.7446      0.00000
     17      11.9080      0.00000
     18      12.0258      0.00000
     19      12.6517      0.00000
     20      13.7445      0.00000
     21      17.6370      0.00000
     22      17.6981      0.00000
     23      20.0860      0.00000
     24      20.7264      0.00000
     25      21.6733      0.00000
     26      24.2935      0.00000
     27      26.8160      0.00000
     28      26.9081      0.00000
     29      31.0997      0.00000
     30      32.4224      0.00000
     31      32.5507      0.00000
     32      36.9571      0.00000
     33      37.7617      0.00000
     34      38.2474      0.00000
     35      42.2804      0.00000
     36      42.5176      0.00000
     37      42.7588      0.00000
     38      43.0105      0.00000
     39      43.9720      0.00000
     40      44.5958      0.00000
     41      44.8469      0.00000
     42      46.6268      0.00000
     43      47.8068      0.00000
     44      49.8187      0.00000
     45      50.0276      0.00000
     46      50.4073      0.00000
     47      51.3079      0.00000
     48      53.1200      0.00000
     49      54.0389      0.00000
     50      54.3299      0.00000
     51      54.6313      0.00000
     52      55.8042      0.00000
     53      58.6220      0.00000
     54      60.2568      0.00000
     55      60.3355      0.00000
     56      61.7494      0.00000

 k-point    27 :       0.0833    0.0833    0.1250
  band No.  band energies     occupation 
      1     -48.3741      2.00000
      2     -48.2543      2.00000
      3     -24.9558      2.00000
      4     -24.4387      2.00000
      5     -24.4075      2.00000
      6     -24.3706      2.00000
      7     -24.3099      2.00000
      8     -24.2788      2.00000
      9       2.9605      2.00000
     10       6.1184      2.00000
     11       8.1623      1.98296
     12       8.5455      0.47687
     13       9.3652      0.00000
     14       9.4554      0.00000
     15       9.5089      0.00000
     16       9.8928      0.00000
     17      10.1130      0.00000
     18      10.1913      0.00000
     19      11.7182      0.00000
     20      12.6998      0.00000
     21      17.3167      0.00000
     22      22.5390      0.00000
     23      23.7795      0.00000
     24      25.4274      0.00000
     25      25.4896      0.00000
     26      26.6885      0.00000
     27      27.5541      0.00000
     28      29.1224      0.00000
     29      31.1367      0.00000
     30      31.7836      0.00000
     31      32.3764      0.00000
     32      32.7068      0.00000
     33      32.9961      0.00000
     34      34.9391      0.00000
     35      35.7573      0.00000
     36      35.8826      0.00000
     37      39.8485      0.00000
     38      40.8343      0.00000
     39      41.0682      0.00000
     40      43.3617      0.00000
     41      44.4573      0.00000
     42      45.5872      0.00000
     43      48.3170      0.00000
     44      49.1065      0.00000
     45      49.6261      0.00000
     46      51.8264      0.00000
     47      53.4962      0.00000
     48      53.7573      0.00000
     49      54.6578      0.00000
     50      56.4947      0.00000
     51      56.8914      0.00000
     52      57.7066      0.00000
     53      60.7505      0.00000
     54      61.9679      0.00000
     55      63.5858      0.00000
     56      63.9114      0.00000

 k-point    28 :       0.1667    0.0833    0.1250
  band No.  band energies     occupation 
      1     -48.3502      2.00000
      2     -48.2455      2.00000
      3     -24.9075      2.00000
      4     -24.5328      2.00000
      5     -24.4944      2.00000
      6     -24.4109      2.00000
      7     -24.3403      2.00000
      8     -24.3008      2.00000
      9       3.6540      2.00000
     10       6.5734      2.00000
     11       7.5953      2.00000
     12       8.1064      2.12365
     13       9.1387      0.00000
     14       9.3284      0.00000
     15       9.6239      0.00000
     16      10.1195      0.00000
     17      10.3204      0.00000
     18      10.5929      0.00000
     19      11.7946      0.00000
     20      13.6386      0.00000
     21      17.4033      0.00000
     22      20.9778      0.00000
     23      22.3382      0.00000
     24      24.0641      0.00000
     25      25.2400      0.00000
     26      26.4493      0.00000
     27      27.8752      0.00000
     28      28.8211      0.00000
     29      29.9235      0.00000
     30      31.4687      0.00000
     31      32.7656      0.00000
     32      33.4793      0.00000
     33      34.3647      0.00000
     34      35.2689      0.00000
     35      35.9765      0.00000
     36      38.6130      0.00000
     37      40.3701      0.00000
     38      42.2951      0.00000
     39      42.4167      0.00000
     40      43.4817      0.00000
     41      44.7074      0.00000
     42      45.7716      0.00000
     43      47.6355      0.00000
     44      49.5903      0.00000
     45      50.3767      0.00000
     46      50.5478      0.00000
     47      53.7134      0.00000
     48      54.2981      0.00000
     49      54.7880      0.00000
     50      55.5692      0.00000
     51      56.6358      0.00000
     52      59.2378      0.00000
     53      59.5030      0.00000
     54      61.3915      0.00000
     55      62.1231      0.00000
     56      63.1619      0.00000

 k-point    29 :       0.2500    0.0833    0.1250
  band No.  band energies     occupation 
      1     -48.3213      2.00000
      2     -48.2370      2.00000
      3     -24.8512      2.00000
      4     -24.6452      2.00000
      5     -24.5879      2.00000
      6     -24.4571      2.00000
      7     -24.3787      2.00000
      8     -24.3240      2.00000
      9       4.5504      2.00000
     10       6.8345      2.00000
     11       7.1280      2.00000
     12       7.8118      2.00000
     13       8.9279      0.00000
     14       9.2631      0.00000
     15       9.4488      0.00000
     16      10.5513      0.00000
     17      10.8986      0.00000
     18      11.1652      0.00000
     19      11.8734      0.00000
     20      14.5511      0.00000
     21      17.6321      0.00000
     22      18.8907      0.00000
     23      21.1658      0.00000
     24      22.5737      0.00000
     25      24.5343      0.00000
     26      25.5627      0.00000
     27      27.9218      0.00000
     28      28.4526      0.00000
     29      29.3353      0.00000
     30      31.5406      0.00000
     31      32.9012      0.00000
     32      34.6854      0.00000
     33      35.9984      0.00000
     34      36.4925      0.00000
     35      37.6761      0.00000
     36      39.3581      0.00000
     37      41.1385      0.00000
     38      42.7325      0.00000
     39      43.2874      0.00000
     40      44.6756      0.00000
     41      46.0019      0.00000
     42      46.4808      0.00000
     43      47.6787      0.00000
     44      49.0036      0.00000
     45      50.5009      0.00000
     46      50.9958      0.00000
     47      52.0152      0.00000
     48      53.6814      0.00000
     49      54.4345      0.00000
     50      55.4639      0.00000
     51      56.2188      0.00000
     52      58.7759      0.00000
     53      59.5848      0.00000
     54      59.7012      0.00000
     55      61.6153      0.00000
     56      62.2137      0.00000

 k-point    30 :       0.3333    0.0833    0.1250
  band No.  band energies     occupation 
      1     -48.2935      2.00000
      2     -48.2320      2.00000
      3     -24.8286      2.00000
      4     -24.7137      2.00000
      5     -24.6600      2.00000
      6     -24.4944      2.00000
      7     -24.4233      2.00000
      8     -24.3441      2.00000
      9       5.4279      2.00000
     10       6.6337      2.00000
     11       6.8951      2.00000
     12       7.7020      2.00000
     13       8.9090      0.00000
     14       9.2330      0.00000
     15       9.4087      0.00000
     16      11.1325      0.00000
     17      11.4940      0.00000
     18      11.6714      0.00000
     19      12.0676      0.00000
     20      14.9881      0.00000
     21      17.1863      0.00000
     22      18.2380      0.00000
     23      20.1070      0.00000
     24      21.2318      0.00000
     25      23.3498      0.00000
     26      24.4591      0.00000
     27      27.2263      0.00000
     28      27.8431      0.00000
     29      30.1501      0.00000
     30      32.1306      0.00000
     31      33.3906      0.00000
     32      35.7149      0.00000
     33      37.0275      0.00000
     34      37.7718      0.00000
     35      39.4826      0.00000
     36      40.5048      0.00000
     37      41.1922      0.00000
     38      43.2257      0.00000
     39      43.6368      0.00000
     40      45.1146      0.00000
     41      46.2363      0.00000
     42      48.0436      0.00000
     43      48.3937      0.00000
     44      49.3976      0.00000
     45      49.8347      0.00000
     46      50.9837      0.00000
     47      51.2215      0.00000
     48      52.4525      0.00000
     49      54.0163      0.00000
     50      54.7561      0.00000
     51      55.6524      0.00000
     52      57.3347      0.00000
     53      58.6940      0.00000
     54      60.0105      0.00000
     55      61.0205      0.00000
     56      61.6595      0.00000

 k-point    31 :       0.4167    0.0833    0.1250
  band No.  band energies     occupation 
      1     -48.2746      2.00000
      2     -48.2317      2.00000
      3     -24.8581      2.00000
      4     -24.7354      2.00000
      5     -24.6658      2.00000
      6     -24.5124      2.00000
      7     -24.4621      2.00000
      8     -24.3558      2.00000
      9       5.9524      2.00000
     10       6.4168      2.00000
     11       6.8774      2.00000
     12       7.5830      2.00000
     13       8.8879      0.00000
     14       9.2114      0.00000
     15       9.5774      0.00000
     16      11.6578      0.00000
     17      11.8074      0.00000
     18      11.8628      0.00000
     19      12.6248      0.00000
     20      14.2157      0.00000
     21      17.3699      0.00000
     22      18.1872      0.00000
     23      19.4435      0.00000
     24      20.7258      0.00000
     25      22.0471      0.00000
     26      23.8656      0.00000
     27      26.6253      0.00000
     28      27.7449      0.00000
     29      30.6695      0.00000
     30      32.5017      0.00000
     31      33.6572      0.00000
     32      36.6228      0.00000
     33      37.4783      0.00000
     34      38.4675      0.00000
     35      40.5114      0.00000
     36      41.4773      0.00000
     37      42.6580      0.00000
     38      43.4017      0.00000
     39      43.5888      0.00000
     40      44.4064      0.00000
     41      46.3328      0.00000
     42      46.6131      0.00000
     43      48.6519      0.00000
     44      49.3633      0.00000
     45      50.7607      0.00000
     46      51.2038      0.00000
     47      51.9181      0.00000
     48      52.1415      0.00000
     49      53.2579      0.00000
     50      54.1027      0.00000
     51      55.4920      0.00000
     52      56.6967      0.00000
     53      58.9050      0.00000
     54      60.0165      0.00000
     55      60.5147      0.00000
     56      61.3863      0.00000

 k-point    32 :       0.1667    0.1667    0.1250
  band No.  band energies     occupation 
      1     -48.3254      2.00000
      2     -48.2382      2.00000
      3     -24.8569      2.00000
      4     -24.6064      2.00000
      5     -24.5885      2.00000
      6     -24.4522      2.00000
      7     -24.3649      2.00000
      8     -24.3419      2.00000
      9       4.4350      2.00000
     10       6.9809      2.00000
     11       7.1955      2.00000
     12       7.6910      2.00000
     13       8.9226      0.00000
     14       9.1868      0.00000
     15       9.5285      0.00000
     16      10.3191      0.00000
     17      10.8804      0.00000
     18      11.1635      0.00000
     19      11.8354      0.00000
     20      14.4832      0.00000
     21      17.6535      0.00000
     22      19.8931      0.00000
     23      20.1019      0.00000
     24      23.0328      0.00000
     25      24.5139      0.00000
     26      26.5894      0.00000
     27      26.9038      0.00000
     28      28.9457      0.00000
     29      29.4496      0.00000
     30      32.1057      0.00000
     31      33.4540      0.00000
     32      33.9025      0.00000
     33      35.4192      0.00000
     34      35.7175      0.00000
     35      37.0638      0.00000
     36      39.7807      0.00000
     37      40.9275      0.00000
     38      43.2853      0.00000
     39      43.3054      0.00000
     40      44.6462      0.00000
     41      44.8732      0.00000
     42      46.7885      0.00000
     43      47.7105      0.00000
     44      48.7501      0.00000
     45      50.2865      0.00000
     46      50.5711      0.00000
     47      52.2425      0.00000
     48      53.7530      0.00000
     49      55.3013      0.00000
     50      56.0184      0.00000
     51      57.1706      0.00000
     52      58.0112      0.00000
     53      59.0395      0.00000
     54      61.2040      0.00000
     55      61.4458      0.00000
     56      63.3707      0.00000

 k-point    33 :       0.2500    0.1667    0.1250
  band No.  band energies     occupation 
      1     -48.2983      2.00000
      2     -48.2326      2.00000
      3     -24.8099      2.00000
      4     -24.6989      2.00000
      5     -24.6314      2.00000
      6     -24.5075      2.00000
      7     -24.4072      2.00000
      8     -24.3776      2.00000
      9       5.3372      2.00000
     10       6.8739      2.00000
     11       7.0892      2.00000
     12       7.5043      2.00000
     13       8.7373      0.00000
     14       9.2688      0.00000
     15       9.3154      0.00000
     16      10.6843      0.00000
     17      11.4956      0.00000
     18      11.5813      0.00000
     19      12.1161      0.00000
     20      15.2251      0.00000
     21      17.8397      0.00000
     22      18.3153      0.00000
     23      19.0098      0.00000
     24      21.9145      0.00000
     25      23.3909      0.00000
     26      24.9264      0.00000
     27      26.2506      0.00000
     28      29.7330      0.00000
     29      29.7958      0.00000
     30      32.6924      0.00000
     31      34.2256      0.00000
     32      34.6311      0.00000
     33      35.9394      0.00000
     34      37.0720      0.00000
     35      38.3592      0.00000
     36      40.4633      0.00000
     37      41.0347      0.00000
     38      42.8513      0.00000
     39      44.2020      0.00000
     40      45.8892      0.00000
     41      46.3262      0.00000
     42      47.4602      0.00000
     43      48.2489      0.00000
     44      48.5814      0.00000
     45      49.0513      0.00000
     46      50.7609      0.00000
     47      52.1221      0.00000
     48      53.9086      0.00000
     49      55.0156      0.00000
     50      55.3024      0.00000
     51      56.1042      0.00000
     52      58.2039      0.00000
     53      58.8564      0.00000
     54      59.6447      0.00000
     55      61.4116      0.00000
     56      62.0879      0.00000

 k-point    34 :       0.3333    0.1667    0.1250
  band No.  band energies     occupation 
      1     -48.2750      2.00000
      2     -48.2319      2.00000
      3     -24.8142      2.00000
      4     -24.7258      2.00000
      5     -24.6487      2.00000
      6     -24.5466      2.00000
      7     -24.4579      2.00000
      8     -24.4005      2.00000
      9       6.0701      2.00000
     10       6.7203      2.00000
     11       6.9036      2.00000
     12       7.5009      2.00000
     13       8.6955      0.00000
     14       9.0367      0.00000
     15       9.5894      0.00000
     16      11.1788      0.00000
     17      11.6461      0.00000
     18      11.8525      0.00000
     19      12.7621      0.00000
     20      15.0640      0.00000
     21      17.2108      0.00000
     22      18.2272      0.00000
     23      18.7952      0.00000
     24      20.9368      0.00000
     25      22.6005      0.00000
     26      23.2598      0.00000
     27      25.6473      0.00000
     28      29.7733      0.00000
     29      30.7061      0.00000
     30      32.8164      0.00000
     31      35.1722      0.00000
     32      35.6213      0.00000
     33      36.5783      0.00000
     34      38.0352      0.00000
     35      39.6870      0.00000
     36      39.9751      0.00000
     37      42.4966      0.00000
     38      42.9725      0.00000
     39      43.4591      0.00000
     40      44.0577      0.00000
     41      46.6911      0.00000
     42      48.3148      0.00000
     43      49.1571      0.00000
     44      50.0544      0.00000
     45      50.2637      0.00000
     46      50.9171      0.00000
     47      51.9018      0.00000
     48      53.2395      0.00000
     49      53.5346      0.00000
     50      54.8982      0.00000
     51      56.2723      0.00000
     52      57.9469      0.00000
     53      58.4478      0.00000
     54      59.8746      0.00000
     55      60.1504      0.00000
     56      61.3084      0.00000

 k-point    35 :       0.4167    0.1667    0.1250
  band No.  band energies     occupation 
      1     -48.2646      2.00000
      2     -48.2334      2.00000
      3     -24.8321      2.00000
      4     -24.7183      2.00000
      5     -24.6567      2.00000
      6     -24.5467      2.00000
      7     -24.4892      2.00000
      8     -24.4091      2.00000
      9       6.2862      2.00000
     10       6.6662      2.00000
     11       6.9587      2.00000
     12       7.4297      2.00000
     13       8.6858      0.00000
     14       8.9760      0.00000
     15       9.7244      0.00000
     16      11.5697      0.00000
     17      11.6180      0.00000
     18      11.8612      0.00000
     19      13.2728      0.00000
     20      14.3066      0.00000
     21      17.7504      0.00000
     22      18.0972      0.00000
     23      18.3560      0.00000
     24      21.0747      0.00000
     25      21.9236      0.00000
     26      22.6116      0.00000
     27      25.4102      0.00000
     28      29.7446      0.00000
     29      31.1596      0.00000
     30      32.6913      0.00000
     31      35.4177      0.00000
     32      35.8654      0.00000
     33      37.9167      0.00000
     34      38.6514      0.00000
     35      39.3321      0.00000
     36      39.9617      0.00000
     37      41.8762      0.00000
     38      42.3343      0.00000
     39      44.1130      0.00000
     40      45.7235      0.00000
     41      45.8134      0.00000
     42      47.3495      0.00000
     43      48.5357      0.00000
     44      50.6735      0.00000
     45      51.3710      0.00000
     46      51.3980      0.00000
     47      52.3197      0.00000
     48      52.8995      0.00000
     49      53.6322      0.00000
     50      54.7786      0.00000
     51      56.4657      0.00000
     52      57.4645      0.00000
     53      58.4355      0.00000
     54      59.1590      0.00000
     55      60.1050      0.00000
     56      60.9347      0.00000

 k-point    36 :       0.2500    0.2500    0.1250
  band No.  band energies     occupation 
      1     -48.2751      2.00000
      2     -48.2319      2.00000
      3     -24.7713      2.00000
      4     -24.7480      2.00000
      5     -24.6191      2.00000
      6     -24.5742      2.00000
      7     -24.4418      2.00000
      8     -24.4408      2.00000
      9       6.1615      2.00000
     10       6.7454      2.00000
     11       7.1581      2.00000
     12       7.3141      2.00000
     13       8.6097      0.00000
     14       8.9821      0.00000
     15       9.5572      0.00000
     16      10.9445      0.00000
     17      11.5865      0.00000
     18      11.8614      0.00000
     19      12.8352      0.00000
     20      15.6793      0.00000
     21      17.0101      0.00000
     22      17.5927      0.00000
     23      19.0788      0.00000
     24      21.4000      0.00000
     25      21.9441      0.00000
     26      24.1501      0.00000
     27      24.5226      0.00000
     28      30.6916      0.00000
     29      31.4499      0.00000
     30      33.5322      0.00000
     31      34.2725      0.00000
     32      34.6980      0.00000
     33      36.8597      0.00000
     34      38.2055      0.00000
     35      38.4513      0.00000
     36      40.5014      0.00000
     37      41.7046      0.00000
     38      42.8056      0.00000
     39      43.3233      0.00000
     40      44.2470      0.00000
     41      47.5382      0.00000
     42      48.1960      0.00000
     43      48.8991      0.00000
     44      49.7770      0.00000
     45      50.5192      0.00000
     46      51.0650      0.00000
     47      52.5214      0.00000
     48      52.9712      0.00000
     49      54.1505      0.00000
     50      55.7621      0.00000
     51      56.6201      0.00000
     52      57.7829      0.00000
     53      58.6295      0.00000
     54      60.5191      0.00000
     55      60.7734      0.00000
     56      60.9763      0.00000

 k-point    37 :       0.3333    0.2500    0.1250
  band No.  band energies     occupation 
      1     -48.2576      2.00000
      2     -48.2355      2.00000
      3     -24.7807      2.00000
      4     -24.7185      2.00000
      5     -24.6512      2.00000
      6     -24.5702      2.00000
      7     -24.5014      2.00000
      8     -24.4670      2.00000
      9       6.6021      2.00000
     10       6.8756      2.00000
     11       7.0196      2.00000
     12       7.2899      2.00000
     13       8.5805     -0.00101
     14       8.7624     -0.00005
     15       9.8048      0.00000
     16      11.3036      0.00000
     17      11.5472      0.00000
     18      11.8064      0.00000
     19      13.6729      0.00000
     20      14.9615      0.00000
     21      16.2752      0.00000
     22      18.1818      0.00000
     23      19.3318      0.00000
     24      21.0584      0.00000
     25      21.3843      0.00000
     26      22.6734      0.00000
     27      24.0208      0.00000
     28      31.4395      0.00000
     29      32.1326      0.00000
     30      33.5710      0.00000
     31      34.5373      0.00000
     32      35.9731      0.00000
     33      37.1104      0.00000
     34      38.6069      0.00000
     35      39.0495      0.00000
     36      39.4843      0.00000
     37      41.1925      0.00000
     38      42.0773      0.00000
     39      43.8474      0.00000
     40      45.2647      0.00000
     41      45.8503      0.00000
     42      48.6838      0.00000
     43      49.1492      0.00000
     44      50.1819      0.00000
     45      50.9660      0.00000
     46      52.5689      0.00000
     47      53.4675      0.00000
     48      53.9219      0.00000
     49      54.3934      0.00000
     50      55.4015      0.00000
     51      56.6952      0.00000
     52      57.4786      0.00000
     53      58.2861      0.00000
     54      59.4518      0.00000
     55      60.1108      0.00000
     56      60.4782      0.00000

 k-point    38 :       0.3333    0.3333    0.1250
  band No.  band energies     occupation 
      1     -48.2440      2.00000
      2     -48.2440      2.00000
      3     -24.7444      2.00000
      4     -24.6997      2.00000
      5     -24.6997      2.00000
      6     -24.5283      2.00000
      7     -24.5259      2.00000
      8     -24.5259      2.00000
      9       6.7681      2.00000
     10       7.0742      2.00000
     11       7.0742      2.00000
     12       7.1411      2.00000
     13       8.5915     -0.00292
     14       8.5915     -0.00001
     15       9.9180      0.00000
     16      11.5026      0.00000
     17      11.5285      0.00000
     18      11.5285      0.00000
     19      14.7078      0.00000
     20      14.9166      0.00000
     21      14.9166      0.00000
     22      19.0360      0.00000
     23      19.8035      0.00000
     24      19.8035      0.00000
     25      21.8207      0.00000
     26      22.7738      0.00000
     27      22.7738      0.00000
     28      31.9579      0.00000
     29      33.4070      0.00000
     30      33.4070      0.00000
     31      35.5367      0.00000
     32      35.8553      0.00000
     33      35.8553      0.00000
     34      38.4685      0.00000
     35      39.3656      0.00000
     36      39.3656      0.00000
     37      40.0399      0.00000
     38      43.3635      0.00000
     39      43.3635      0.00000
     40      44.7755      0.00000
     41      46.9635      0.00000
     42      46.9635      0.00000
     43      49.9728      0.00000
     44      49.9728      0.00000
     45      51.9786      0.00000
     46      53.1083      0.00000
     47      53.1083      0.00000
     48      55.0710      0.00000
     49      55.8883      0.00000
     50      55.8883      0.00000
     51      55.9138      0.00000
     52      57.4378      0.00000
     53      59.5089      0.00000
     54      59.5089      0.00000
     55      60.1872      0.00000
     56      60.1872      0.00000

 k-point    39 :       0.0000    0.0000    0.2500
  band No.  band energies     occupation 
      1     -48.3794      2.00000
      2     -48.2788      2.00000
      3     -24.9210      2.00000
      4     -24.4102      2.00000
      5     -24.3448      2.00000
      6     -24.3448      2.00000
      7     -24.2724      2.00000
      8     -24.2724      2.00000
      9       2.7791      2.00000
     10       5.4070      2.00000
     11       8.5771      0.65137
     12       9.0320      0.00000
     13       9.0556      0.00000
     14       9.0556      0.00000
     15       9.4610      0.00000
     16       9.4610      0.00000
     17      10.5374      0.00000
     18      10.5374      0.00000
     19      11.5911      0.00000
     20      11.5911      0.00000
     21      18.5293      0.00000
     22      22.5904      0.00000
     23      24.6740      0.00000
     24      25.6407      0.00000
     25      27.4678      0.00000
     26      27.4678      0.00000
     27      28.5393      0.00000
     28      28.5393      0.00000
     29      30.3345      0.00000
     30      30.3345      0.00000
     31      32.3170      0.00000
     32      32.4933      0.00000
     33      32.6458      0.00000
     34      32.6458      0.00000
     35      38.1010      0.00000
     36      38.1010      0.00000
     37      38.4322      0.00000
     38      39.8787      0.00000
     39      40.4725      0.00000
     40      40.4725      0.00000
     41      45.6627      0.00000
     42      45.7749      0.00000
     43      45.7749      0.00000
     44      47.9138      0.00000
     45      47.9138      0.00000
     46      49.2564      0.00000
     47      54.5260      0.00000
     48      54.5260      0.00000
     49      54.6625      0.00000
     50      57.7702      0.00000
     51      57.7702      0.00000
     52      59.1320      0.00000
     53      61.2589      0.00000
     54      62.4020      0.00000
     55      64.0495      0.00000
     56      64.6356      0.00000

 k-point    40 :       0.0833    0.0000    0.2500
  band No.  band energies     occupation 
      1     -48.3726      2.00000
      2     -48.2750      2.00000
      3     -24.9112      2.00000
      4     -24.4267      2.00000
      5     -24.3736      2.00000
      6     -24.3543      2.00000
      7     -24.2919      2.00000
      8     -24.2775      2.00000
      9       2.9645      2.00000
     10       5.5710      2.00000
     11       8.2926      1.87447
     12       8.8775     -0.00167
     13       9.0449      0.00000
     14       9.1623      0.00000
     15       9.4897      0.00000
     16       9.5692      0.00000
     17      10.4887      0.00000
     18      10.5207      0.00000
     19      11.6192      0.00000
     20      11.8377      0.00000
     21      18.5668      0.00000
     22      22.6616      0.00000
     23      24.5335      0.00000
     24      25.4722      0.00000
     25      26.3371      0.00000
     26      26.4660      0.00000
     27      28.2254      0.00000
     28      28.7700      0.00000
     29      30.7546      0.00000
     30      30.9839      0.00000
     31      31.6065      0.00000
     32      32.8512      0.00000
     33      33.1674      0.00000
     34      34.2006      0.00000
     35      36.9333      0.00000
     36      37.2538      0.00000
     37      38.7700      0.00000
     38      40.4780      0.00000
     39      41.6011      0.00000
     40      41.7753      0.00000
     41      43.4615      0.00000
     42      45.0496      0.00000
     43      46.7826      0.00000
     44      48.2172      0.00000
     45      48.5944      0.00000
     46      50.3392      0.00000
     47      53.8894      0.00000
     48      54.5794      0.00000
     49      55.6300      0.00000
     50      57.0757      0.00000
     51      57.8768      0.00000
     52      58.6083      0.00000
     53      61.0124      0.00000
     54      63.1798      0.00000
     55      64.3669      0.00000
     56      64.7953      0.00000

 k-point    41 :       0.1667    0.0000    0.2500
  band No.  band energies     occupation 
      1     -48.3546      2.00000
      2     -48.2656      2.00000
      3     -24.8858      2.00000
      4     -24.4902      2.00000
      5     -24.4467      2.00000
      6     -24.3802      2.00000
      7     -24.3308      2.00000
      8     -24.2922      2.00000
      9       3.4889      2.00000
     10       6.0011      2.00000
     11       7.7722      2.01140
     12       8.5070      0.79102
     13       8.9715      0.00000
     14       9.4042      0.00000
     15       9.4171      0.00000
     16       9.8677      0.00000
     17      10.4561      0.00000
     18      10.5672      0.00000
     19      11.6755      0.00000
     20      12.4182      0.00000
     21      18.6970      0.00000
     22      22.0581      0.00000
     23      23.8278      0.00000
     24      24.6203      0.00000
     25      24.9420      0.00000
     26      26.0344      0.00000
     27      27.7190      0.00000
     28      28.5368      0.00000
     29      30.0893      0.00000
     30      31.9485      0.00000
     31      32.3578      0.00000
     32      33.2772      0.00000
     33      33.6692      0.00000
     34      36.4241      0.00000
     35      36.4618      0.00000
     36      36.9496      0.00000
     37      40.1386      0.00000
     38      40.6994      0.00000
     39      41.9744      0.00000
     40      43.1661      0.00000
     41      43.5781      0.00000
     42      44.1973      0.00000
     43      46.4541      0.00000
     44      49.6832      0.00000
     45      49.8557      0.00000
     46      51.7327      0.00000
     47      52.8157      0.00000
     48      54.6736      0.00000
     49      56.5777      0.00000
     50      56.9541      0.00000
     51      57.2074      0.00000
     52      57.6681      0.00000
     53      60.2813      0.00000
     54      62.0157      0.00000
     55      63.9554      0.00000
     56      64.2201      0.00000

 k-point    42 :       0.2500    0.0000    0.2500
  band No.  band energies     occupation 
      1     -48.3283      2.00000
      2     -48.2536      2.00000
      3     -24.8585      2.00000
      4     -24.5980      2.00000
      5     -24.5344      2.00000
      6     -24.4143      2.00000
      7     -24.3641      2.00000
      8     -24.3130      2.00000
      9       4.2562      2.00000
     10       6.4422      2.00000
     11       7.3400      2.00000
     12       8.1376      2.02407
     13       8.8112      0.00000
     14       9.3600      0.00000
     15       9.4992      0.00000
     16      10.3314      0.00000
     17      10.7053      0.00000
     18      10.7695      0.00000
     19      11.7306      0.00000
     20      13.0675      0.00000
     21      18.9472      0.00000
     22      20.1609      0.00000
     23      22.5832      0.00000
     24      23.4471      0.00000
     25      24.3814      0.00000
     26      25.9303      0.00000
     27      27.6251      0.00000
     28      27.8303      0.00000
     29      29.7219      0.00000
     30      31.5437      0.00000
     31      32.2040      0.00000
     32      35.0881      0.00000
     33      35.1365      0.00000
     34      36.8204      0.00000
     35      37.3072      0.00000
     36      38.0291      0.00000
     37      40.4186      0.00000
     38      42.4609      0.00000
     39      42.7796      0.00000
     40      42.7867      0.00000
     41      44.7231      0.00000
     42      45.6041      0.00000
     43      47.0046      0.00000
     44      50.0485      0.00000
     45      50.6091      0.00000
     46      52.3725      0.00000
     47      52.9535      0.00000
     48      54.1797      0.00000
     49      54.9214      0.00000
     50      55.8098      0.00000
     51      56.6332      0.00000
     52      58.1945      0.00000
     53      59.4860      0.00000
     54      60.3603      0.00000
     55      62.4187      0.00000
     56      62.5295      0.00000

 k-point    43 :       0.3333    0.0000    0.2500
  band No.  band energies     occupation 
      1     -48.3010      2.00000
      2     -48.2433      2.00000
      3     -24.8584      2.00000
      4     -24.7067      2.00000
      5     -24.5937      2.00000
      6     -24.4474      2.00000
      7     -24.3952      2.00000
      8     -24.3346      2.00000
      9       5.0648      2.00000
     10       6.4731      2.00000
     11       7.1379      2.00000
     12       7.9193      2.00000
     13       8.8807      0.00000
     14       9.3983      0.00000
     15       9.4244      0.00000
     16      10.8807      0.00000
     17      11.1749      0.00000
     18      11.1864      0.00000
     19      11.8023      0.00000
     20      13.5735      0.00000
     21      18.2453      0.00000
     22      19.1674      0.00000
     23      21.1837      0.00000
     24      22.1364      0.00000
     25      24.0842      0.00000
     26      25.5284      0.00000
     27      26.8831      0.00000
     28      27.3202      0.00000
     29      29.4402      0.00000
     30      32.1675      0.00000
     31      32.3997      0.00000
     32      36.0254      0.00000
     33      36.3347      0.00000
     34      37.2363      0.00000
     35      38.4310      0.00000
     36      39.0197      0.00000
     37      42.1211      0.00000
     38      42.6521      0.00000
     39      43.6106      0.00000
     40      44.4392      0.00000
     41      46.2214      0.00000
     42      47.1195      0.00000
     43      48.2005      0.00000
     44      48.8522      0.00000
     45      50.6454      0.00000
     46      51.2817      0.00000
     47      52.8899      0.00000
     48      54.0629      0.00000
     49      54.1138      0.00000
     50      54.8118      0.00000
     51      55.4679      0.00000
     52      56.3542      0.00000
     53      58.6705      0.00000
     54      60.8580      0.00000
     55      61.2867      0.00000
     56      61.6188      0.00000

 k-point    44 :       0.4167    0.0000    0.2500
  band No.  band energies     occupation 
      1     -48.2790      2.00000
      2     -48.2379      2.00000
      3     -24.8932      2.00000
      4     -24.7821      2.00000
      5     -24.5975      2.00000
      6     -24.4715      2.00000
      7     -24.4247      2.00000
      8     -24.3508      2.00000
      9       5.6091      2.00000
     10       6.3201      2.00000
     11       7.1308      2.00000
     12       7.6521      2.00000
     13       9.2457      0.00000
     14       9.2876      0.00000
     15       9.6277      0.00000
     16      11.2455      0.00000
     17      11.6579      0.00000
     18      11.7797      0.00000
     19      11.9302      0.00000
     20      13.6632      0.00000
     21      17.0957      0.00000
     22      18.4387      0.00000
     23      21.0323      0.00000
     24      21.1917      0.00000
     25      23.2971      0.00000
     26      25.0099      0.00000
     27      26.0879      0.00000
     28      26.9259      0.00000
     29      30.1277      0.00000
     30      32.1291      0.00000
     31      32.7690      0.00000
     32      35.4900      0.00000
     33      36.9279      0.00000
     34      39.0629      0.00000
     35      40.3451      0.00000
     36      40.6784      0.00000
     37      42.6193      0.00000
     38      43.5440      0.00000
     39      44.2303      0.00000
     40      45.1386      0.00000
     41      46.7429      0.00000
     42      47.0729      0.00000
     43      48.4133      0.00000
     44      49.6560      0.00000
     45      50.4446      0.00000
     46      50.5333      0.00000
     47      51.3228      0.00000
     48      53.0265      0.00000
     49      54.1280      0.00000
     50      54.3461      0.00000
     51      55.0766      0.00000
     52      56.1276      0.00000
     53      58.2863      0.00000
     54      59.9353      0.00000
     55      60.5698      0.00000
     56      61.6493      0.00000

 k-point    45 :       0.5000    0.0000    0.2500
  band No.  band energies     occupation 
      1     -48.2698      2.00000
      2     -48.2370      2.00000
      3     -24.9134      2.00000
      4     -24.8090      2.00000
      5     -24.5880      2.00000
      6     -24.4802      2.00000
      7     -24.4393      2.00000
      8     -24.3566      2.00000
      9       5.7572      2.00000
     10       6.2553      2.00000
     11       7.3480      2.00000
     12       7.3643      2.00000
     13       9.2447      0.00000
     14       9.3796      0.00000
     15       9.8199      0.00000
     16      11.3402      0.00000
     17      11.8773      0.00000
     18      12.0056      0.00000
     19      12.2399      0.00000
     20      13.3642      0.00000
     21      17.3069      0.00000
     22      17.3603      0.00000
     23      20.8373      0.00000
     24      21.5410      0.00000
     25      22.6003      0.00000
     26      24.7905      0.00000
     27      25.7794      0.00000
     28      26.8251      0.00000
     29      30.6892      0.00000
     30      32.1185      0.00000
     31      32.4007      0.00000
     32      35.5987      0.00000
     33      37.0771      0.00000
     34      40.2583      0.00000
     35      40.8542      0.00000
     36      42.3289      0.00000
     37      43.0409      0.00000
     38      43.1467      0.00000
     39      44.8746      0.00000
     40      45.0503      0.00000
     41      45.5738      0.00000
     42      46.6775      0.00000
     43      48.8292      0.00000
     44      49.5581      0.00000
     45      49.9497      0.00000
     46      50.7040      0.00000
     47      50.9758      0.00000
     48      53.7699      0.00000
     49      54.3273      0.00000
     50      54.4728      0.00000
     51      54.9567      0.00000
     52      56.2891      0.00000
     53      56.6971      0.00000
     54      59.6759      0.00000
     55      60.9519      0.00000
     56      61.0815      0.00000

 k-point    46 :       0.0833    0.0833    0.2500
  band No.  band energies     occupation 
      1     -48.3603      2.00000
      2     -48.2685      2.00000
      3     -24.8936      2.00000
      4     -24.4670      2.00000
      5     -24.4215      2.00000
      6     -24.3775      2.00000
      7     -24.3144      2.00000
      8     -24.2916      2.00000
      9       3.3201      2.00000
     10       5.8724      2.00000
     11       7.9140      2.03764
     12       8.6082      0.17679
     13       9.0004      0.00000
     14       9.3478      0.00000
     15       9.4401      0.00000
     16       9.7607      0.00000
     17      10.4581      0.00000
     18      10.5439      0.00000
     19      11.6525      0.00000
     20      12.2529      0.00000
     21      18.6531      0.00000
     22      22.5128      0.00000
     23      23.8974      0.00000
     24      24.6998      0.00000
     25      25.0124      0.00000
     26      26.9275      0.00000
     27      27.7913      0.00000
     28      28.0444      0.00000
     29      30.6363      0.00000
     30      31.8862      0.00000
     31      32.2316      0.00000
     32      32.5801      0.00000
     33      33.9942      0.00000
     34      35.3279      0.00000
     35      36.4419      0.00000
     36      37.1384      0.00000
     37      39.7349      0.00000
     38      41.2306      0.00000
     39      41.6829      0.00000
     40      42.5742      0.00000
     41      43.3065      0.00000
     42      44.1276      0.00000
     43      47.6857      0.00000
     44      47.8450      0.00000
     45      49.9066      0.00000
     46      51.4807      0.00000
     47      53.8757      0.00000
     48      53.9245      0.00000
     49      56.3630      0.00000
     50      56.5780      0.00000
     51      57.6408      0.00000
     52      58.3758      0.00000
     53      60.0743      0.00000
     54      63.1888      0.00000
     55      64.1964      0.00000
     56      64.7677      0.00000

 k-point    47 :       0.1667    0.0833    0.2500
  band No.  band energies     occupation 
      1     -48.3381      2.00000
      2     -48.2580      2.00000
      3     -24.8659      2.00000
      4     -24.5552      2.00000
      5     -24.4968      2.00000
      6     -24.4141      2.00000
      7     -24.3427      2.00000
      8     -24.3145      2.00000
      9       3.9736      2.00000
     10       6.3478      2.00000
     11       7.4708      2.00000
     12       8.2071      2.08800
     13       8.8803      0.00000
     14       9.3056      0.00000
     15       9.5212      0.00000
     16      10.0897      0.00000
     17      10.5991      0.00000
     18      10.7356      0.00000
     19      11.6974      0.00000
     20      12.8660      0.00000
     21      18.8641      0.00000
     22      21.2205      0.00000
     23      22.6437      0.00000
     24      23.3730      0.00000
     25      24.6483      0.00000
     26      26.6805      0.00000
     27      27.3152      0.00000
     28      28.5828      0.00000
     29      29.6561      0.00000
     30      31.2954      0.00000
     31      32.9428      0.00000
     32      34.0661      0.00000
     33      34.3838      0.00000
     34      35.7800      0.00000
     35      37.6298      0.00000
     36      38.4162      0.00000
     37      40.0078      0.00000
     38      41.6447      0.00000
     39      42.1959      0.00000
     40      42.8825      0.00000
     41      44.1099      0.00000
     42      45.1222      0.00000
     43      47.5837      0.00000
     44      49.3150      0.00000
     45      50.6869      0.00000
     46      51.8985      0.00000
     47      53.0562      0.00000
     48      54.3258      0.00000
     49      54.8421      0.00000
     50      56.2000      0.00000
     51      57.7732      0.00000
     52      58.6465      0.00000
     53      59.3408      0.00000
     54      61.6733      0.00000
     55      62.7531      0.00000
     56      63.2433      0.00000

 k-point    48 :       0.2500    0.0833    0.2500
  band No.  band energies     occupation 
      1     -48.3116      2.00000
      2     -48.2470      2.00000
      3     -24.8482      2.00000
      4     -24.6635      2.00000
      5     -24.5674      2.00000
      6     -24.4517      2.00000
      7     -24.3767      2.00000
      8     -24.3372      2.00000
      9       4.7879      2.00000
     10       6.6005      2.00000
     11       7.2152      2.00000
     12       7.9334      2.00000
     13       8.7406      0.00000
     14       9.2782      0.00000
     15       9.4553      0.00000
     16      10.5147      0.00000
     17      11.0717      0.00000
     18      11.0861      0.00000
     19      11.7917      0.00000
     20      13.4571      0.00000
     21      19.1542      0.00000
     22      19.2378      0.00000
     23      21.6256      0.00000
     24      21.8564      0.00000
     25      24.1483      0.00000
     26      25.8273      0.00000
     27      27.6787      0.00000
     28      28.3242      0.00000
     29      29.0223      0.00000
     30      31.0648      0.00000
     31      33.6705      0.00000
     32      34.8390      0.00000
     33      35.5001      0.00000
     34      37.1606      0.00000
     35      38.2048      0.00000
     36      38.6942      0.00000
     37      40.9567      0.00000
     38      42.4738      0.00000
     39      43.1315      0.00000
     40      44.4416      0.00000
     41      45.7584      0.00000
     42      46.1894      0.00000
     43      48.4063      0.00000
     44      49.0609      0.00000
     45      50.4562      0.00000
     46      51.5591      0.00000
     47      52.6124      0.00000
     48      53.9805      0.00000
     49      54.4877      0.00000
     50      55.0089      0.00000
     51      56.7473      0.00000
     52      58.2188      0.00000
     53      59.5199      0.00000
     54      60.1728      0.00000
     55      61.0885      0.00000
     56      62.7834      0.00000

 k-point    49 :       0.3333    0.0833    0.2500
  band No.  band energies     occupation 
      1     -48.2865      2.00000
      2     -48.2394      2.00000
      3     -24.8658      2.00000
      4     -24.7502      2.00000
      5     -24.5978      2.00000
      6     -24.4799      2.00000
      7     -24.4128      2.00000
      8     -24.3567      2.00000
      9       5.5069      2.00000
     10       6.4818      2.00000
     11       7.1109      2.00000
     12       7.7925      2.00000
     13       8.8680     -0.00020
     14       9.2560      0.00000
     15       9.5142      0.00000
     16      10.9732      0.00000
     17      11.3967      0.00000
     18      11.6254      0.00000
     19      12.0604      0.00000
     20      13.8395      0.00000
     21      17.5355      0.00000
     22      19.1023      0.00000
     23      20.6946      0.00000
     24      20.9552      0.00000
     25      23.5316      0.00000
     26      24.7210      0.00000
     27      27.2228      0.00000
     28      27.9204      0.00000
     29      29.3168      0.00000
     30      31.3657      0.00000
     31      34.3741      0.00000
     32      35.2289      0.00000
     33      35.9645      0.00000
     34      38.0582      0.00000
     35      39.8625      0.00000
     36      40.0890      0.00000
     37      41.8160      0.00000
     38      43.2397      0.00000
     39      43.6051      0.00000
     40      45.8265      0.00000
     41      46.8120      0.00000
     42      47.5016      0.00000
     43      48.3462      0.00000
     44      49.0804      0.00000
     45      49.6845      0.00000
     46      50.8138      0.00000
     47      52.6209      0.00000
     48      53.3469      0.00000
     49      53.8909      0.00000
     50      54.8594      0.00000
     51      55.9465      0.00000
     52      56.5918      0.00000
     53      58.2273      0.00000
     54      59.9597      0.00000
     55      61.1782      0.00000
     56      61.6302      0.00000

 k-point    50 :       0.4167    0.0833    0.2500
  band No.  band energies     occupation 
      1     -48.2698      2.00000
      2     -48.2365      2.00000
      3     -24.8967      2.00000
      4     -24.7955      2.00000
      5     -24.5954      2.00000
      6     -24.4880      2.00000
      7     -24.4438      2.00000
      8     -24.3684      2.00000
      9       5.8353      2.00000
     10       6.3840      2.00000
     11       7.2329      2.00000
     12       7.5280      2.00000
     13       8.8975     -0.01834
     14       9.4836      0.00000
     15       9.6399      0.00000
     16      11.2515      0.00000
     17      11.7240      0.00000
     18      11.9424      0.00000
     19      12.4136      0.00000
     20      13.7181      0.00000
     21      17.0869      0.00000
     22      17.9439      0.00000
     23      20.1099      0.00000
     24      21.4598      0.00000
     25      22.9393      0.00000
     26      23.7508      0.00000
     27      26.6776      0.00000
     28      27.7944      0.00000
     29      30.2120      0.00000
     30      31.0443      0.00000
     31      34.0974      0.00000
     32      35.8695      0.00000
     33      36.2409      0.00000
     34      39.8134      0.00000
     35      41.0739      0.00000
     36      41.4596      0.00000
     37      42.2735      0.00000
     38      43.2954      0.00000
     39      44.5952      0.00000
     40      45.0127      0.00000
     41      46.2874      0.00000
     42      46.5267      0.00000
     43      49.0958      0.00000
     44      49.3626      0.00000
     45      50.4362      0.00000
     46      51.5960      0.00000
     47      51.9547      0.00000
     48      52.8962      0.00000
     49      53.5958      0.00000
     50      54.2463      0.00000
     51      55.7292      0.00000
     52      56.8521      0.00000
     53      57.6849      0.00000
     54      59.6891      0.00000
     55      59.7560      0.00000
     56      61.1442      0.00000

 k-point    51 :       0.1667    0.1667    0.2500
  band No.  band energies     occupation 
      1     -48.3152      2.00000
      2     -48.2483      2.00000
      3     -24.8443      2.00000
      4     -24.6452      2.00000
      5     -24.5439      2.00000
      6     -24.4667      2.00000
      7     -24.3566      2.00000
      8     -24.3547      2.00000
      9       4.6957      2.00000
     10       6.7017      2.00000
     11       7.2754      2.00000
     12       7.8174      2.00000
     13       8.7723      0.00000
     14       9.1597      0.00000
     15       9.4538      0.00000
     16      10.3367      0.00000
     17      11.0782      0.00000
     18      11.0836      0.00000
     19      11.7895      0.00000
     20      13.4298      0.00000
     21      19.2210      0.00000
     22      20.2074      0.00000
     23      20.5189      0.00000
     24      22.4141      0.00000
     25      23.6148      0.00000
     26      26.7258      0.00000
     27      27.6201      0.00000
     28      28.5052      0.00000
     29      29.2920      0.00000
     30      31.3761      0.00000
     31      33.4879      0.00000
     32      33.5689      0.00000
     33      36.0632      0.00000
     34      36.5448      0.00000
     35      38.5086      0.00000
     36      39.1671      0.00000
     37      39.5684      0.00000
     38      42.9362      0.00000
     39      43.0216      0.00000
     40      44.1200      0.00000
     41      45.0431      0.00000
     42      46.3916      0.00000
     43      49.1061      0.00000
     44      49.3080      0.00000
     45      50.1677      0.00000
     46      50.9194      0.00000
     47      51.8132      0.00000
     48      54.1314      0.00000
     49      54.8569      0.00000
     50      55.2442      0.00000
     51      57.6670      0.00000
     52      59.3675      0.00000
     53      59.4018      0.00000
     54      60.7543      0.00000
     55      61.8074      0.00000
     56      63.2298      0.00000

 k-point    52 :       0.2500    0.1667    0.2500
  band No.  band energies     occupation 
      1     -48.2906      2.00000
      2     -48.2403      2.00000
      3     -24.8373      2.00000
      4     -24.7284      2.00000
      5     -24.5740      2.00000
      6     -24.5149      2.00000
      7     -24.4042      2.00000
      8     -24.3728      2.00000
      9       5.4934      2.00000
     10       6.6751      2.00000
     11       7.2744      2.00000
     12       7.6737      2.00000
     13       8.6744     -0.02394
     14       9.0348      0.00000
     15       9.4111      0.00000
     16      10.6569      0.00000
     17      11.2759      0.00000
     18      11.6774      0.00000
     19      12.1895      0.00000
     20      13.9901      0.00000
     21      18.3383      0.00000
     22      19.4771      0.00000
     23      19.6481      0.00000
     24      21.3009      0.00000
     25      22.5512      0.00000
     26      25.7786      0.00000
     27      27.2316      0.00000
     28      28.5460      0.00000
     29      29.8788      0.00000
     30      31.8357      0.00000
     31      33.6385      0.00000
     32      34.1288      0.00000
     33      36.4765      0.00000
     34      38.2373      0.00000
     35      38.7632      0.00000
     36      39.8974      0.00000
     37      40.5850      0.00000
     38      42.7601      0.00000
     39      44.2480      0.00000
     40      45.9908      0.00000
     41      46.9088      0.00000
     42      47.6346      0.00000
     43      48.3730      0.00000
     44      48.9422      0.00000
     45      49.3291      0.00000
     46      50.8803      0.00000
     47      51.2487      0.00000
     48      53.9339      0.00000
     49      55.0174      0.00000
     50      55.8082      0.00000
     51      56.9299      0.00000
     52      57.4438      0.00000
     53      58.8133      0.00000
     54      59.6046      0.00000
     55      61.6712      0.00000
     56      62.0702      0.00000

 k-point    53 :       0.3333    0.1667    0.2500
  band No.  band energies     occupation 
      1     -48.2700      2.00000
      2     -48.2368      2.00000
      3     -24.8546      2.00000
      4     -24.7724      2.00000
      5     -24.6062      2.00000
      6     -24.5190      2.00000
      7     -24.4488      2.00000
      8     -24.3909      2.00000
      9       6.0484      2.00000
     10       6.6494      2.00000
     11       7.1458      2.00000
     12       7.6726      2.00000
     13       8.6303     -0.03166
     14       8.9417     -0.00017
     15       9.6672      0.00000
     16      11.0028      0.00000
     17      11.3695      0.00000
     18      11.9829      0.00000
     19      12.7998      0.00000
     20      14.3338      0.00000
     21      17.1360      0.00000
     22      18.7382      0.00000
     23      18.9618      0.00000
     24      21.3804      0.00000
     25      21.9842      0.00000
     26      24.2313      0.00000
     27      26.8218      0.00000
     28      29.2152      0.00000
     29      30.0231      0.00000
     30      31.4489      0.00000
     31      34.2751      0.00000
     32      35.1560      0.00000
     33      37.0180      0.00000
     34      38.2417      0.00000
     35      40.1438      0.00000
     36      41.1592      0.00000
     37      42.0823      0.00000
     38      43.1476      0.00000
     39      43.9056      0.00000
     40      44.6536      0.00000
     41      46.6979      0.00000
     42      47.7519      0.00000
     43      49.5034      0.00000
     44      49.8658      0.00000
     45      50.2297      0.00000
     46      51.2324      0.00000
     47      51.8487      0.00000
     48      53.7254      0.00000
     49      54.0349      0.00000
     50      55.4960      0.00000
     51      56.3945      0.00000
     52      56.8922      0.00000
     53      58.1311      0.00000
     54      59.2002      0.00000
     55      59.5480      0.00000
     56      60.7107      0.00000

 k-point    54 :       0.4167    0.1667    0.2500
  band No.  band energies     occupation 
      1     -48.2611      2.00000
      2     -48.2370      2.00000
      3     -24.8685      2.00000
      4     -24.7817      2.00000
      5     -24.6236      2.00000
      6     -24.4933      2.00000
      7     -24.4842      2.00000
      8     -24.3988      2.00000
      9       6.1638      2.00000
     10       6.6747      2.00000
     11       7.3429      2.00000
     12       7.4340      2.00000
     13       8.5524      0.08450
     14       9.0368     -0.00289
     15       9.8108      0.00000
     16      11.1357      0.00000
     17      11.5623      0.00000
     18      11.9268      0.00000
     19      13.2395      0.00000
     20      14.1269      0.00000
     21      17.5633      0.00000
     22      17.5851      0.00000
     23      18.5599      0.00000
     24      21.7127      0.00000
     25      22.2892      0.00000
     26      23.1092      0.00000
     27      26.6314      0.00000
     28      29.6520      0.00000
     29      30.1598      0.00000
     30      30.9117      0.00000
     31      34.6322      0.00000
     32      35.3111      0.00000
     33      37.6723      0.00000
     34      39.0747      0.00000
     35      40.4415      0.00000
     36      41.2726      0.00000
     37      41.4171      0.00000
     38      43.7058      0.00000
     39      44.0295      0.00000
     40      45.6238      0.00000
     41      46.2116      0.00000
     42      46.6444      0.00000
     43      48.2757      0.00000
     44      50.6130      0.00000
     45      51.0777      0.00000
     46      52.2570      0.00000
     47      52.8588      0.00000
     48      53.4197      0.00000
     49      54.1894      0.00000
     50      55.1302      0.00000
     51      56.1557      0.00000
     52      56.4907      0.00000
     53      57.9462      0.00000
     54      58.4817      0.00000
     55      58.7680      0.00000
     56      61.2126      0.00000

 k-point    55 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1     -48.2702      2.00000
      2     -48.2368      2.00000
      3     -24.8213      2.00000
      4     -24.7727      2.00000
      5     -24.5966      2.00000
      6     -24.5518      2.00000
      7     -24.4502      2.00000
      8     -24.4010      2.00000
      9       6.2255      2.00000
     10       6.6664      2.00000
     11       7.3008      2.00000
     12       7.5712      2.00000
     13       8.6228     -0.03792
     14       8.6868     -0.00614
     15       9.5638      0.00000
     16      10.8582      0.00000
     17      11.2829      0.00000
     18      11.9948      0.00000
     19      12.9542      0.00000
     20      14.6796      0.00000
     21      17.4506      0.00000
     22      17.8607      0.00000
     23      19.7988      0.00000
     24      20.9198      0.00000
     25      21.3876      0.00000
     26      25.4927      0.00000
     27      25.6697      0.00000
     28      29.2750      0.00000
     29      31.3058      0.00000
     30      33.0086      0.00000
     31      33.0266      0.00000
     32      33.6572      0.00000
     33      37.8425      0.00000
     34      38.4487      0.00000
     35      39.6095      0.00000
     36      40.3415      0.00000
     37      41.7798      0.00000
     38      42.8729      0.00000
     39      43.8898      0.00000
     40      45.0195      0.00000
     41      46.5793      0.00000
     42      49.0379      0.00000
     43      49.4711      0.00000
     44      49.6267      0.00000
     45      50.2626      0.00000
     46      50.6658      0.00000
     47      52.0529      0.00000
     48      53.0724      0.00000
     49      54.5880      0.00000
     50      56.2879      0.00000
     51      56.4804      0.00000
     52      58.1134      0.00000
     53      58.6423      0.00000
     54      59.3388      0.00000
     55      59.5011      0.00000
     56      60.8508      0.00000

 k-point    56 :       0.3333    0.2500    0.2500
  band No.  band energies     occupation 
      1     -48.2551      2.00000
      2     -48.2380      2.00000
      3     -24.8163      2.00000
      4     -24.7695      2.00000
      5     -24.6638      2.00000
      6     -24.5345      2.00000
      7     -24.4785      2.00000
      8     -24.4242      2.00000
      9       6.5696      2.00000
     10       6.9245      2.00000
     11       7.1914      2.00000
     12       7.4681      2.00000
     13       8.4728      0.52625
     14       8.6008     -0.06345
     15       9.8112      0.00000
     16      11.0094      0.00000
     17      11.3922      0.00000
     18      11.8615      0.00000
     19      13.8543      0.00000
     20      14.8615      0.00000
     21      16.6155      0.00000
     22      17.6974      0.00000
     23      18.7583      0.00000
     24      20.2867      0.00000
     25      22.3215      0.00000
     26      24.0360      0.00000
     27      25.4587      0.00000
     28      30.0873      0.00000
     29      31.1224      0.00000
     30      32.4953      0.00000
     31      33.4613      0.00000
     32      35.6236      0.00000
     33      37.5827      0.00000
     34      38.4804      0.00000
     35      40.2856      0.00000
     36      40.7081      0.00000
     37      41.5044      0.00000
     38      42.9188      0.00000
     39      43.5873      0.00000
     40      45.7002      0.00000
     41      46.1298      0.00000
     42      48.8683      0.00000
     43      49.0265      0.00000
     44      50.1725      0.00000
     45      50.3110      0.00000
     46      52.1823      0.00000
     47      52.8298      0.00000
     48      53.9906      0.00000
     49      54.9384      0.00000
     50      55.7954      0.00000
     51      56.8796      0.00000
     52      57.1888      0.00000
     53      57.9453      0.00000
     54      59.0741      0.00000
     55      59.6524      0.00000
     56      60.3216      0.00000

 k-point    57 :       0.3333    0.3333    0.2500
  band No.  band energies     occupation 
      1     -48.2442      2.00000
      2     -48.2442      2.00000
      3     -24.7670      2.00000
      4     -24.7670      2.00000
      5     -24.7196      2.00000
      6     -24.5542      2.00000
      7     -24.4572      2.00000
      8     -24.4572      2.00000
      9       6.8979      2.00000
     10       7.1705      2.00000
     11       7.1705      2.00000
     12       7.1795      2.00000
     13       8.4442      0.81908
     14       8.4442      0.40254
     15       9.8908      0.00000
     16      10.9964      0.00000
     17      11.5702      0.00000
     18      11.5702      0.00000
     19      15.0244      0.00000
     20      15.0244      0.00000
     21      15.3008      0.00000
     22      18.2511      0.00000
     23      18.9180      0.00000
     24      18.9180      0.00000
     25      23.1186      0.00000
     26      24.2405      0.00000
     27      24.2405      0.00000
     28      30.4358      0.00000
     29      31.8243      0.00000
     30      31.8243      0.00000
     31      35.0259      0.00000
     32      36.2328      0.00000
     33      36.2328      0.00000
     34      37.7700      0.00000
     35      40.7307      0.00000
     36      40.7307      0.00000
     37      42.2279      0.00000
     38      42.2279      0.00000
     39      42.9779      0.00000
     40      45.3185      0.00000
     41      48.2013      0.00000
     42      48.2013      0.00000
     43      50.1697      0.00000
     44      50.1697      0.00000
     45      50.4219      0.00000
     46      51.1296      0.00000
     47      51.1296      0.00000
     48      55.0738      0.00000
     49      56.4852      0.00000
     50      56.4852      0.00000
     51      57.6900      0.00000
     52      57.8395      0.00000
     53      58.6447      0.00000
     54      58.6447      0.00000
     55      59.7208      0.00000
     56      59.7208      0.00000

 k-point    58 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -48.3554      2.00000
      2     -48.3012      2.00000
      3     -24.8063      2.00000
      4     -24.5297      2.00000
      5     -24.3279      2.00000
      6     -24.3279      2.00000
      7     -24.2887      2.00000
      8     -24.2887      2.00000
      9       3.3792      2.00000
     10       4.8562      2.00000
     11       8.3971      1.92925
     12       8.7579     -0.13631
     13       9.0375      0.00000
     14       9.0375      0.00000
     15       9.2649      0.00000
     16       9.2649      0.00000
     17      10.9118      0.00000
     18      10.9118      0.00000
     19      11.4801      0.00000
     20      11.4801      0.00000
     21      20.1221      0.00000
     22      22.3180      0.00000
     23      24.0478      0.00000
     24      24.6696      0.00000
     25      27.5027      0.00000
     26      27.5027      0.00000
     27      28.1493      0.00000
     28      28.1493      0.00000
     29      30.7938      0.00000
     30      30.7939      0.00000
     31      31.8969      0.00000
     32      31.8969      0.00000
     33      32.9147      0.00000
     34      33.3269      0.00000
     35      38.9290      0.00000
     36      39.1466      0.00000
     37      39.3743      0.00000
     38      39.3743      0.00000
     39      41.5692      0.00000
     40      41.5692      0.00000
     41      44.2132      0.00000
     42      44.2132      0.00000
     43      45.5058      0.00000
     44      46.2766      0.00000
     45      46.2766      0.00000
     46      47.3831      0.00000
     47      55.7532      0.00000
     48      56.5676      0.00000
     49      56.5676      0.00000
     50      58.6167      0.00000
     51      58.6167      0.00000
     52      59.5318      0.00000
     53      60.0269      0.00000
     54      60.6601      0.00000
     55      66.8510      0.00000
     56      66.8510      0.00000

 k-point    59 :       0.0833    0.0000    0.3750
  band No.  band energies     occupation 
      1     -48.3502      2.00000
      2     -48.2975      2.00000
      3     -24.8031      2.00000
      4     -24.5416      2.00000
      5     -24.3542      2.00000
      6     -24.3368      2.00000
      7     -24.3093      2.00000
      8     -24.2952      2.00000
      9       3.5523      2.00000
     10       5.0172      2.00000
     11       8.1983      2.02876
     12       8.6932     -0.06454
     13       8.9414      0.00000
     14       9.1417      0.00000
     15       9.2828      0.00000
     16       9.3726      0.00000
     17      10.8778      0.00000
     18      10.9215      0.00000
     19      11.4837      0.00000
     20      11.6011      0.00000
     21      20.1856      0.00000
     22      22.4295      0.00000
     23      23.9766      0.00000
     24      24.5905      0.00000
     25      26.3848      0.00000
     26      26.8104      0.00000
     27      27.4631      0.00000
     28      28.0361      0.00000
     29      31.2361      0.00000
     30      31.3158      0.00000
     31      31.7247      0.00000
     32      32.1960      0.00000
     33      33.9785      0.00000
     34      34.5595      0.00000
     35      37.6920      0.00000
     36      38.7969      0.00000
     37      38.8333      0.00000
     38      40.2257      0.00000
     39      41.3602      0.00000
     40      42.1499      0.00000
     41      43.6612      0.00000
     42      43.9473      0.00000
     43      45.9449      0.00000
     44      46.9160      0.00000
     45      47.1997      0.00000
     46      48.3228      0.00000
     47      55.6235      0.00000
     48      56.4548      0.00000
     49      56.8615      0.00000
     50      58.1104      0.00000
     51      58.4926      0.00000
     52      59.2096      0.00000
     53      60.3522      0.00000
     54      61.0017      0.00000
     55      64.4936      0.00000
     56      65.8586      0.00000

 k-point    60 :       0.1667    0.0000    0.3750
  band No.  band energies     occupation 
      1     -48.3340      2.00000
      2     -48.2861      2.00000
      3     -24.7988      2.00000
      4     -24.5853      2.00000
      5     -24.4192      2.00000
      6     -24.3601      2.00000
      7     -24.3532      2.00000
      8     -24.3124      2.00000
      9       4.0387      2.00000
     10       5.4435      2.00000
     11       7.8310      2.00000
     12       8.4703      1.21282
     13       8.7618      0.00000
     14       9.2113      0.00000
     15       9.4039      0.00000
     16       9.6731      0.00000
     17      10.8375      0.00000
     18      10.9922      0.00000
     19      11.4911      0.00000
     20      11.9152      0.00000
     21      20.3806      0.00000
     22      22.2462      0.00000
     23      23.2631      0.00000
     24      23.9493      0.00000
     25      25.5705      0.00000
     26      25.7249      0.00000
     27      26.4675      0.00000
     28      27.4408      0.00000
     29      31.1605      0.00000
     30      32.2073      0.00000
     31      32.5299      0.00000
     32      33.0923      0.00000
     33      34.4372      0.00000
     34      36.8367      0.00000
     35      37.5320      0.00000
     36      38.1728      0.00000
     37      38.6819      0.00000
     38      40.2290      0.00000
     39      41.1266      0.00000
     40      42.1129      0.00000
     41      44.3695      0.00000
     42      44.7243      0.00000
     43      46.4127      0.00000
     44      48.0969      0.00000
     45      49.0026      0.00000
     46      50.0196      0.00000
     47      54.8308      0.00000
     48      56.1218      0.00000
     49      57.1410      0.00000
     50      57.4989      0.00000
     51      58.3911      0.00000
     52      58.5060      0.00000
     53      59.7839      0.00000
     54      61.0534      0.00000
     55      62.7128      0.00000
     56      64.4136      0.00000

 k-point    61 :       0.2500    0.0000    0.3750
  band No.  band energies     occupation 
      1     -48.3118      2.00000
      2     -48.2710      2.00000
      3     -24.8103      2.00000
      4     -24.6695      2.00000
      5     -24.4870      2.00000
      6     -24.3913      2.00000
      7     -24.3901      2.00000
      8     -24.3365      2.00000
      9       4.7138      2.00000
     10       5.9142      2.00000
     11       7.5566      2.00000
     12       8.1577      2.01684
     13       8.6637      0.00000
     14       9.1279      0.00000
     15       9.6427      0.00000
     16      10.0993      0.00000
     17      10.9540      0.00000
     18      11.1549      0.00000
     19      11.5220      0.00000
     20      12.2934      0.00000
     21      20.5999      0.00000
     22      20.6539      0.00000
     23      21.8558      0.00000
     24      23.8198      0.00000
     25      24.2646      0.00000
     26      25.7975      0.00000
     27      26.2028      0.00000
     28      26.5251      0.00000
     29      31.1120      0.00000
     30      32.7459      0.00000
     31      32.8467      0.00000
     32      34.2888      0.00000
     33      34.5539      0.00000
     34      36.0463      0.00000
     35      38.3138      0.00000
     36      39.3310      0.00000
     37      40.2581      0.00000
     38      41.4306      0.00000
     39      41.7408      0.00000
     40      42.1327      0.00000
     41      44.9943      0.00000
     42      46.2888      0.00000
     43      47.5607      0.00000
     44      49.3013      0.00000
     45      50.1757      0.00000
     46      51.7113      0.00000
     47      53.6742      0.00000
     48      54.5916      0.00000
     49      55.2179      0.00000
     50      56.9254      0.00000
     51      57.3563      0.00000
     52      58.2240      0.00000
     53      59.6144      0.00000
     54      60.0172      0.00000
     55      62.1142      0.00000
     56      63.1326      0.00000

 k-point    62 :       0.3333    0.0000    0.3750
  band No.  band energies     occupation 
      1     -48.2880      2.00000
      2     -48.2568      2.00000
      3     -24.8532      2.00000
      4     -24.7679      2.00000
      5     -24.5199      2.00000
      6     -24.4219      2.00000
      7     -24.4126      2.00000
      8     -24.3607      2.00000
      9       5.3439      2.00000
     10       6.1115      2.00000
     11       7.4249      2.00000
     12       7.9366      2.00000
     13       8.8429      0.00000
     14       9.2699      0.00000
     15       9.7001      0.00000
     16      10.5008      0.00000
     17      11.3138      0.00000
     18      11.4180      0.00000
     19      11.6459      0.00000
     20      12.6113      0.00000
     21      18.7140      0.00000
     22      19.7391      0.00000
     23      21.4566      0.00000
     24      23.0844      0.00000
     25      23.8455      0.00000
     26      25.5402      0.00000
     27      25.6359      0.00000
     28      26.5081      0.00000
     29      30.1079      0.00000
     30      33.1639      0.00000
     31      33.5046      0.00000
     32      34.0772      0.00000
     33      35.2191      0.00000
     34      36.4963      0.00000
     35      39.4538      0.00000
     36      40.1674      0.00000
     37      42.0010      0.00000
     38      42.1261      0.00000
     39      42.9434      0.00000
     40      45.2279      0.00000
     41      45.8027      0.00000
     42      47.6941      0.00000
     43      48.2706      0.00000
     44      49.9685      0.00000
     45      49.9706      0.00000
     46      51.8195      0.00000
     47      52.5769      0.00000
     48      53.4297      0.00000
     49      54.1080      0.00000
     50      55.5300      0.00000
     51      56.1243      0.00000
     52      56.2758      0.00000
     53      59.0360      0.00000
     54      60.2831      0.00000
     55      60.9173      0.00000
     56      61.6251      0.00000

 k-point    63 :       0.4167    0.0000    0.3750
  band No.  band energies     occupation 
      1     -48.2697      2.00000
      2     -48.2474      2.00000
      3     -24.9054      2.00000
      4     -24.8425      2.00000
      5     -24.5195      2.00000
      6     -24.4440      2.00000
      7     -24.4283      2.00000
      8     -24.3788      2.00000
      9       5.6764      2.00000
     10       6.1048      2.00000
     11       7.3797      2.00000
     12       7.7547      2.00000
     13       9.2394      0.00000
     14       9.6664      0.00000
     15       9.7281      0.00000
     16      10.7092      0.00000
     17      11.7190      0.00000
     18      11.7661      0.00000
     19      11.8657      0.00000
     20      12.7888      0.00000
     21      17.3415      0.00000
     22      18.1220      0.00000
     23      22.0394      0.00000
     24      22.2270      0.00000
     25      23.5725      0.00000
     26      24.7711      0.00000
     27      25.5051      0.00000
     28      26.7657      0.00000
     29      29.5337      0.00000
     30      32.1523      0.00000
     31      33.2635      0.00000
     32      35.1655      0.00000
     33      35.6678      0.00000
     34      38.0753      0.00000
     35      41.0815      0.00000
     36      41.2621      0.00000
     37      42.9355      0.00000
     38      43.0693      0.00000
     39      44.3575      0.00000
     40      46.3771      0.00000
     41      47.3831      0.00000
     42      47.7247      0.00000
     43      48.6113      0.00000
     44      48.7994      0.00000
     45      50.3532      0.00000
     46      50.6109      0.00000
     47      52.1016      0.00000
     48      53.1621      0.00000
     49      53.8142      0.00000
     50      53.9716      0.00000
     51      55.9242      0.00000
     52      56.3368      0.00000
     53      58.2179      0.00000
     54      58.6562      0.00000
     55      59.9333      0.00000
     56      60.2313      0.00000

 k-point    64 :       0.5000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -48.2623      2.00000
      2     -48.2443      2.00000
      3     -24.9280      2.00000
      4     -24.8699      2.00000
      5     -24.5141      2.00000
      6     -24.4521      2.00000
      7     -24.4353      2.00000
      8     -24.3853      2.00000
      9       5.7453      2.00000
     10       6.0917      2.00000
     11       7.3979      2.00000
     12       7.6624      2.00000
     13       9.3990      0.00000
     14       9.6453      0.00000
     15      10.0636      0.00000
     16      10.7592      0.00000
     17      11.9032      0.00000
     18      11.9666      0.00000
     19      11.9751      0.00000
     20      12.8140      0.00000
     21      17.0994      0.00000
     22      17.1282      0.00000
     23      21.9063      0.00000
     24      22.4604      0.00000
     25      23.2641      0.00000
     26      24.4776      0.00000
     27      25.4766      0.00000
     28      26.7766      0.00000
     29      29.6019      0.00000
     30      31.4012      0.00000
     31      33.2819      0.00000
     32      35.6844      0.00000
     33      35.7790      0.00000
     34      38.7712      0.00000
     35      42.2132      0.00000
     36      42.5456      0.00000
     37      43.0557      0.00000
     38      43.9938      0.00000
     39      44.0158      0.00000
     40      46.1782      0.00000
     41      46.2362      0.00000
     42      47.3895      0.00000
     43      48.9296      0.00000
     44      49.2263      0.00000
     45      50.6515      0.00000
     46      51.1311      0.00000
     47      51.5427      0.00000
     48      53.1589      0.00000
     49      53.9728      0.00000
     50      54.1488      0.00000
     51      55.9336      0.00000
     52      55.9955      0.00000
     53      56.4818      0.00000
     54      58.7232      0.00000
     55      59.0381      0.00000
     56      59.3449      0.00000

 k-point    65 :       0.0833    0.0833    0.3750
  band No.  band energies     occupation 
      1     -48.3392      2.00000
      2     -48.2898      2.00000
      3     -24.7991      2.00000
      4     -24.5692      2.00000
      5     -24.3963      2.00000
      6     -24.3634      2.00000
      7     -24.3309      2.00000
      8     -24.3104      2.00000
      9       3.8840      2.00000
     10       5.3143      2.00000
     11       7.9295      2.00000
     12       8.5487      0.64427
     13       8.7972      0.00000
     14       9.2133      0.00000
     15       9.3552      0.00000
     16       9.5713      0.00000
     17      10.8428      0.00000
     18      10.9674      0.00000
     19      11.4848      0.00000
     20      11.8245      0.00000
     21      20.3181      0.00000
     22      22.4742      0.00000
     23      23.6496      0.00000
     24      24.2643      0.00000
     25      24.7550      0.00000
     26      26.1794      0.00000
     27      27.1830      0.00000
     28      27.8670      0.00000
     29      30.8339      0.00000
     30      31.4442      0.00000
     31      32.7813      0.00000
     32      32.8118      0.00000
     33      35.2397      0.00000
     34      35.7294      0.00000
     35      37.0657      0.00000
     36      38.0647      0.00000
     37      39.3026      0.00000
     38      40.3411      0.00000
     39      40.6711      0.00000
     40      42.2158      0.00000
     41      44.0644      0.00000
     42      44.6394      0.00000
     43      46.6636      0.00000
     44      46.8613      0.00000
     45      49.1373      0.00000
     46      49.3121      0.00000
     47      55.5615      0.00000
     48      55.8180      0.00000
     49      57.1360      0.00000
     50      57.8030      0.00000
     51      57.8636      0.00000
     52      59.2015      0.00000
     53      59.4819      0.00000
     54      62.0873      0.00000
     55      62.9812      0.00000
     56      64.1587      0.00000

 k-point    66 :       0.1667    0.0833    0.3750
  band No.  band energies     occupation 
      1     -48.3201      2.00000
      2     -48.2766      2.00000
      3     -24.8013      2.00000
      4     -24.6336      2.00000
      5     -24.4590      2.00000
      6     -24.4052      2.00000
      7     -24.3579      2.00000
      8     -24.3349      2.00000
      9       4.4754      2.00000
     10       5.7872      2.00000
     11       7.6392      2.00000
     12       8.2587      2.03144
     13       8.6499      0.00000
     14       9.0822      0.00000
     15       9.5947      0.00000
     16       9.9215      0.00000
     17      10.9101      0.00000
     18      11.1048      0.00000
     19      11.5054      0.00000
     20      12.1788      0.00000
     21      20.5928      0.00000
     22      21.5922      0.00000
     23      22.6221      0.00000
     24      23.2024      0.00000
     25      23.9746      0.00000
     26      25.1860      0.00000
     27      27.2001      0.00000
     28      28.1752      0.00000
     29      30.3492      0.00000
     30      31.4211      0.00000
     31      33.4365      0.00000
     32      34.5200      0.00000
     33      34.7716      0.00000
     34      35.8313      0.00000
     35      38.3784      0.00000
     36      38.9193      0.00000
     37      39.1882      0.00000
     38      40.3714      0.00000
     39      41.2727      0.00000
     40      42.9127      0.00000
     41      44.8251      0.00000
     42      45.3443      0.00000
     43      47.5100      0.00000
     44      48.3622      0.00000
     45      50.2261      0.00000
     46      50.9427      0.00000
     47      54.4826      0.00000
     48      55.0859      0.00000
     49      55.6553      0.00000
     50      56.2947      0.00000
     51      58.1347      0.00000
     52      58.7854      0.00000
     53      60.0709      0.00000
     54      61.2821      0.00000
     55      62.4139      0.00000
     56      63.4125      0.00000

 k-point    67 :       0.2500    0.0833    0.3750
  band No.  band energies     occupation 
      1     -48.2968      2.00000
      2     -48.2618      2.00000
      3     -24.8265      2.00000
      4     -24.7245      2.00000
      5     -24.5086      2.00000
      6     -24.4390      2.00000
      7     -24.3891      2.00000
      8     -24.3575      2.00000
      9       5.1604      2.00000
     10       6.1404      2.00000
     11       7.4961      2.00000
     12       8.0107      2.00000
     13       8.6096      0.00000
     14       9.0255      0.00000
     15       9.6920      0.00000
     16      10.3009      0.00000
     17      11.2342      0.00000
     18      11.3320      0.00000
     19      11.6477      0.00000
     20      12.5354      0.00000
     21      19.6818      0.00000
     22      20.6020      0.00000
     23      21.3940      0.00000
     24      22.2920      0.00000
     25      23.6347      0.00000
     26      24.8295      0.00000
     27      27.1498      0.00000
     28      27.8025      0.00000
     29      30.2726      0.00000
     30      31.7412      0.00000
     31      33.3141      0.00000
     32      34.6979      0.00000
     33      35.2455      0.00000
     34      36.3922      0.00000
     35      38.4498      0.00000
     36      39.9196      0.00000
     37      40.3596      0.00000
     38      42.1648      0.00000
     39      43.3524      0.00000
     40      43.7142      0.00000
     41      45.5866      0.00000
     42      46.7151      0.00000
     43      48.5128      0.00000
     44      49.6750      0.00000
     45      50.2159      0.00000
     46      51.6535      0.00000
     47      52.7217      0.00000
     48      54.0209      0.00000
     49      54.2306      0.00000
     50      55.5719      0.00000
     51      57.2064      0.00000
     52      58.0815      0.00000
     53      59.8065      0.00000
     54      60.4637      0.00000
     55      61.3319      0.00000
     56      61.6675      0.00000

 k-point    68 :       0.3333    0.0833    0.3750
  band No.  band energies     occupation 
      1     -48.2756      2.00000
      2     -48.2499      2.00000
      3     -24.8740      2.00000
      4     -24.8077      2.00000
      5     -24.5283      2.00000
      6     -24.4590      2.00000
      7     -24.4184      2.00000
      8     -24.3743      2.00000
      9       5.6683      2.00000
     10       6.2109      2.00000
     11       7.4142      2.00000
     12       7.8865      2.00000
     13       8.8250     -0.00083
     14       9.1820      0.00000
     15       9.7724      0.00000
     16      10.5740      0.00000
     17      11.4518      0.00000
     18      11.8173      0.00000
     19      11.9569      0.00000
     20      12.8526      0.00000
     21      17.9553      0.00000
     22      18.9851      0.00000
     23      21.4997      0.00000
     24      21.8479      0.00000
     25      23.1880      0.00000
     26      24.5076      0.00000
     27      27.1111      0.00000
     28      27.4234      0.00000
     29      29.6961      0.00000
     30      31.7118      0.00000
     31      33.4000      0.00000
     32      34.3226      0.00000
     33      36.0491      0.00000
     34      38.2723      0.00000
     35      39.2914      0.00000
     36      40.5536      0.00000
     37      41.9629      0.00000
     38      43.7986      0.00000
     39      44.1079      0.00000
     40      45.5967      0.00000
     41      46.9845      0.00000
     42      47.6732      0.00000
     43      48.5399      0.00000
     44      49.1867      0.00000
     45      49.9495      0.00000
     46      51.0843      0.00000
     47      52.5467      0.00000
     48      53.2370      0.00000
     49      54.3752      0.00000
     50      55.0818      0.00000
     51      55.4154      0.00000
     52      56.5365      0.00000
     53      59.2311      0.00000
     54      59.6446      0.00000
     55      60.1121      0.00000
     56      60.7022      0.00000

 k-point    69 :       0.4167    0.0833    0.3750
  band No.  band energies     occupation 
      1     -48.2623      2.00000
      2     -48.2445      2.00000
      3     -24.9117      2.00000
      4     -24.8554      2.00000
      5     -24.5337      2.00000
      6     -24.4598      2.00000
      7     -24.4419      2.00000
      8     -24.3838      2.00000
      9       5.8454      2.00000
     10       6.2071      2.00000
     11       7.4198      2.00000
     12       7.7628      2.00000
     13       8.9165     -0.05067
     14       9.5451      0.00000
     15       9.9153      0.00000
     16      10.7547      0.00000
     17      11.6964      0.00000
     18      11.9810      0.00000
     19      12.2895      0.00000
     20      13.1209      0.00000
     21      17.0741      0.00000
     22      17.5572      0.00000
     23      21.0091      0.00000
     24      22.3111      0.00000
     25      23.1584      0.00000
     26      23.8634      0.00000
     27      26.8137      0.00000
     28      27.6449      0.00000
     29      29.5219      0.00000
     30      30.7996      0.00000
     31      33.4037      0.00000
     32      34.7376      0.00000
     33      36.7018      0.00000
     34      39.7671      0.00000
     35      40.5813      0.00000
     36      41.6182      0.00000
     37      43.0908      0.00000
     38      44.0251      0.00000
     39      44.0318      0.00000
     40      45.7391      0.00000
     41      46.9965      0.00000
     42      47.3024      0.00000
     43      49.2574      0.00000
     44      49.5074      0.00000
     45      50.2866      0.00000
     46      51.4279      0.00000
     47      51.8275      0.00000
     48      52.7659      0.00000
     49      54.3770      0.00000
     50      54.7824      0.00000
     51      55.4077      0.00000
     52      56.7087      0.00000
     53      57.5080      0.00000
     54      58.3849      0.00000
     55      59.0092      0.00000
     56      59.6983      0.00000

 k-point    70 :       0.1667    0.1667    0.3750
  band No.  band energies     occupation 
      1     -48.2999      2.00000
      2     -48.2639      2.00000
      3     -24.8147      2.00000
      4     -24.7050      2.00000
      5     -24.4918      2.00000
      6     -24.4617      2.00000
      7     -24.3748      2.00000
      8     -24.3641      2.00000
      9       5.1039      2.00000
     10       6.1812      2.00000
     11       7.5543      2.00000
     12       7.9662      2.00000
     13       8.5590      0.00000
     14       8.8876      0.00000
     15       9.6437      0.00000
     16      10.1990      0.00000
     17      11.2765      0.00000
     18      11.3013      0.00000
     19      11.6745      0.00000
     20      12.5211      0.00000
     21      20.6596      0.00000
     22      20.9626      0.00000
     23      21.1561      0.00000
     24      21.7989      0.00000
     25      22.7527      0.00000
     26      24.8625      0.00000
     27      28.6219      0.00000
     28      28.9479      0.00000
     29      29.6472      0.00000
     30      30.6190      0.00000
     31      33.5516      0.00000
     32      33.7415      0.00000
     33      36.1750      0.00000
     34      36.6861      0.00000
     35      38.3854      0.00000
     36      38.7303      0.00000
     37      40.0697      0.00000
     38      42.0058      0.00000
     39      43.1139      0.00000
     40      44.4654      0.00000
     41      45.0060      0.00000
     42      46.3423      0.00000
     43      48.9105      0.00000
     44      49.0708      0.00000
     45      50.5271      0.00000
     46      50.9574      0.00000
     47      53.4023      0.00000
     48      53.4201      0.00000
     49      54.5754      0.00000
     50      55.2454      0.00000
     51      58.3137      0.00000
     52      59.2167      0.00000
     53      59.9823      0.00000
     54      61.1015      0.00000
     55      62.0315      0.00000
     56      62.0705      0.00000

 k-point    71 :       0.2500    0.1667    0.3750
  band No.  band energies     occupation 
      1     -48.2792      2.00000
      2     -48.2519      2.00000
      3     -24.8413      2.00000
      4     -24.7771      2.00000
      5     -24.5280      2.00000
      6     -24.4975      2.00000
      7     -24.4126      2.00000
      8     -24.3744      2.00000
      9       5.7395      2.00000
     10       6.3820      2.00000
     11       7.5539      2.00000
     12       7.8606      2.00000
     13       8.5317      0.03153
     14       8.7454     -0.02450
     15       9.6301      0.00000
     16      10.3857      0.00000
     17      11.3919      0.00000
     18      11.8608      0.00000
     19      12.1718      0.00000
     20      12.9414      0.00000
     21      18.8774      0.00000
     22      20.0789      0.00000
     23      20.1480      0.00000
     24      21.7163      0.00000
     25      21.8143      0.00000
     26      25.1272      0.00000
     27      27.9589      0.00000
     28      28.8361      0.00000
     29      30.0846      0.00000
     30      31.5758      0.00000
     31      32.3633      0.00000
     32      33.3746      0.00000
     33      37.0975      0.00000
     34      37.9513      0.00000
     35      38.8579      0.00000
     36      39.7306      0.00000
     37      41.2614      0.00000
     38      43.6630      0.00000
     39      44.2610      0.00000
     40      45.2213      0.00000
     41      46.8849      0.00000
     42      47.3549      0.00000
     43      48.5759      0.00000
     44      48.9258      0.00000
     45      50.4348      0.00000
     46      50.8011      0.00000
     47      52.2712      0.00000
     48      53.3146      0.00000
     49      54.2453      0.00000
     50      55.8828      0.00000
     51      57.1389      0.00000
     52      57.9792      0.00000
     53      58.9771      0.00000
     54      59.3584      0.00000
     55      60.3653      0.00000
     56      62.0694      0.00000

 k-point    72 :       0.3333    0.1667    0.3750
  band No.  band energies     occupation 
      1     -48.2623      2.00000
      2     -48.2443      2.00000
      3     -24.8722      2.00000
      4     -24.8247      2.00000
      5     -24.5697      2.00000
      6     -24.5054      2.00000
      7     -24.4339      2.00000
      8     -24.3839      2.00000
      9       6.1092      2.00000
     10       6.4651      2.00000
     11       7.4654      2.00000
     12       7.9464      2.00000
     13       8.4385      0.63962
     14       8.8089     -0.07005
     15       9.8531      0.00000
     16      10.5405      0.00000
     17      11.4865      0.00000
     18      12.0207      0.00000
     19      12.8452      0.00000
     20      13.5682      0.00000
     21      17.4123      0.00000
     22      18.4049      0.00000
     23      19.5417      0.00000
     24      21.1849      0.00000
     25      22.6797      0.00000
     26      24.8206      0.00000
     27      27.8863      0.00000
     28      28.3780      0.00000
     29      29.9302      0.00000
     30      30.6821      0.00000
     31      33.0746      0.00000
     32      33.8334      0.00000
     33      38.1531      0.00000
     34      38.6189      0.00000
     35      39.6238      0.00000
     36      41.2687      0.00000
     37      42.9647      0.00000
     38      43.7434      0.00000
     39      44.2460      0.00000
     40      45.0897      0.00000
     41      46.3089      0.00000
     42      48.0335      0.00000
     43      49.5903      0.00000
     44      49.7324      0.00000
     45      50.5453      0.00000
     46      51.4918      0.00000
     47      51.7546      0.00000
     48      53.5952      0.00000
     49      54.6429      0.00000
     50      55.1382      0.00000
     51      55.7686      0.00000
     52      57.0215      0.00000
     53      57.8478      0.00000
     54      58.8044      0.00000
     55      59.8459      0.00000
     56      60.1673      0.00000

 k-point    73 :       0.4167    0.1667    0.3750
  band No.  band energies     occupation 
      1     -48.2555      2.00000
      2     -48.2423      2.00000
      3     -24.8865      2.00000
      4     -24.8398      2.00000
      5     -24.5862      2.00000
      6     -24.5087      2.00000
      7     -24.4380      2.00000
      8     -24.3887      2.00000
      9       6.1758      2.00000
     10       6.5152      2.00000
     11       7.5020      2.00000
     12       7.9099      2.00000
     13       8.3325      1.22528
     14       8.9339     -0.10129
     15      10.0189      0.00000
     16      10.6516      0.00000
     17      11.5964      0.00000
     18      11.8816      0.00000
     19      13.2910      0.00000
     20      13.8441      0.00000
     21      17.2293      0.00000
     22      17.2340      0.00000
     23      19.3110      0.00000
     24      20.9948      0.00000
     25      23.4198      0.00000
     26      24.1902      0.00000
     27      27.9652      0.00000
     28      28.7488      0.00000
     29      29.2020      0.00000
     30      30.2149      0.00000
     31      33.4596      0.00000
     32      34.1088      0.00000
     33      38.8517      0.00000
     34      39.3944      0.00000
     35      40.4580      0.00000
     36      41.3310      0.00000
     37      42.0398      0.00000
     38      43.1903      0.00000
     39      44.6099      0.00000
     40      46.4473      0.00000
     41      47.3195      0.00000
     42      47.4763      0.00000
     43      48.0723      0.00000
     44      50.1460      0.00000
     45      50.1922      0.00000
     46      51.4443      0.00000
     47      53.1619      0.00000
     48      54.1645      0.00000
     49      55.1978      0.00000
     50      55.4070      0.00000
     51      55.9000      0.00000
     52      56.6405      0.00000
     53      56.6435      0.00000
     54      57.2362      0.00000
     55      58.8944      0.00000
     56      59.8062      0.00000

 k-point    74 :       0.2500    0.2500    0.3750
  band No.  band energies     occupation 
      1     -48.2627      2.00000
      2     -48.2443      2.00000
      3     -24.8447      2.00000
      4     -24.8109      2.00000
      5     -24.5860      2.00000
      6     -24.5348      2.00000
      7     -24.4307      2.00000
      8     -24.3847      2.00000
      9       6.3252      2.00000
     10       6.5673      2.00000
     11       7.5456      2.00000
     12       7.8722      2.00000
     13       8.3376      1.71844
     14       8.5197      0.16456
     15       9.6804      0.00000
     16      10.4187      0.00000
     17      11.4614      0.00000
     18      12.0356      0.00000
     19      13.0561      0.00000
     20      13.7901      0.00000
     21      18.0476      0.00000
     22      18.4118      0.00000
     23      19.3867      0.00000
     24      19.9957      0.00000
     25      22.6693      0.00000
     26      25.6675      0.00000
     27      27.0716      0.00000
     28      28.9293      0.00000
     29      30.3691      0.00000
     30      31.6274      0.00000
     31      32.6644      0.00000
     32      33.2983      0.00000
     33      37.7919      0.00000
     34      37.8100      0.00000
     35      40.7258      0.00000
     36      41.1178      0.00000
     37      41.9880      0.00000
     38      44.2806      0.00000
     39      44.3430      0.00000
     40      44.8125      0.00000
     41      45.7479      0.00000
     42      48.1296      0.00000
     43      49.8394      0.00000
     44      50.0445      0.00000
     45      50.9355      0.00000
     46      51.2770      0.00000
     47      51.8061      0.00000
     48      53.3971      0.00000
     49      54.2782      0.00000
     50      55.4024      0.00000
     51      55.5369      0.00000
     52      58.2320      0.00000
     53      58.5988      0.00000
     54      58.9006      0.00000
     55      60.0298      0.00000
     56      60.6570      0.00000

 k-point    75 :       0.3333    0.2500    0.3750
  band No.  band energies     occupation 
      1     -48.2513      2.00000
      2     -48.2420      2.00000
      3     -24.8435      2.00000
      4     -24.8172      2.00000
      5     -24.6400      2.00000
      6     -24.5622      2.00000
      7     -24.4267      2.00000
      8     -24.3952      2.00000
      9       6.6143      2.00000
     10       6.8379      2.00000
     11       7.4670      2.00000
     12       7.7632      2.00000
     13       8.2128      2.19860
     14       8.4403      0.84097
     15       9.8940      0.00000
     16      10.4983      0.00000
     17      11.5106      0.00000
     18      11.8293      0.00000
     19      14.0583      0.00000
     20      14.6119      0.00000
     21      16.9651      0.00000
     22      17.6587      0.00000
     23      18.3066      0.00000
     24      19.4363      0.00000
     25      23.7614      0.00000
     26      25.2954      0.00000
     27      26.8756      0.00000
     28      28.7139      0.00000
     29      29.6915      0.00000
     30      31.0223      0.00000
     31      33.5611      0.00000
     32      35.0105      0.00000
     33      37.6075      0.00000
     34      38.4894      0.00000
     35      40.3124      0.00000
     36      41.5435      0.00000
     37      42.0146      0.00000
     38      43.8548      0.00000
     39      44.8626      0.00000
     40      46.0868      0.00000
     41      46.8201      0.00000
     42      47.9361      0.00000
     43      49.0340      0.00000
     44      49.7129      0.00000
     45      50.2088      0.00000
     46      51.9041      0.00000
     47      52.6309      0.00000
     48      53.6342      0.00000
     49      55.0921      0.00000
     50      55.4204      0.00000
     51      56.4899      0.00000
     52      57.1991      0.00000
     53      57.9611      0.00000
     54      58.9079      0.00000
     55      59.5621      0.00000
     56      60.3422      0.00000

 k-point    76 :       0.3333    0.3333    0.3750
  band No.  band energies     occupation 
      1     -48.2441      2.00000
      2     -48.2441      2.00000
      3     -24.8123      2.00000
      4     -24.8123      2.00000
      5     -24.6820      2.00000
      6     -24.5925      2.00000
      7     -24.4103      2.00000
      8     -24.4103      2.00000
      9       7.0560      2.00000
     10       7.2054      2.00000
     11       7.2870      2.00000
     12       7.2870      2.00000
     13       8.2834      2.13541
     14       8.2834      2.14698
     15       9.9256      0.00000
     16      10.4842      0.00000
     17      11.5976      0.00000
     18      11.5976      0.00000
     19      15.1622      0.00000
     20      15.1622      0.00000
     21      16.0052      0.00000
     22      17.4815      0.00000
     23      18.2997      0.00000
     24      18.2997      0.00000
     25      24.6975      0.00000
     26      25.7216      0.00000
     27      25.7216      0.00000
     28      28.4533      0.00000
     29      30.2921      0.00000
     30      30.2921      0.00000
     31      35.3554      0.00000
     32      36.5313      0.00000
     33      36.5313      0.00000
     34      36.8971      0.00000
     35      40.3842      0.00000
     36      40.3842      0.00000
     37      43.4877      0.00000
     38      43.4877      0.00000
     39      45.7821      0.00000
     40      46.0358      0.00000
     41      48.2757      0.00000
     42      48.2757      0.00000
     43      49.3906      0.00000
     44      49.3907      0.00000
     45      49.4670      0.00000
     46      50.6779      0.00000
     47      50.6779      0.00000
     48      53.5346      0.00000
     49      57.2913      0.00000
     50      57.2913      0.00000
     51      58.0247      0.00000
     52      58.0247      0.00000
     53      58.3186      0.00000
     54      58.4946      0.00000
     55      59.3392      0.00000
     56      59.3392      0.00000

 k-point    77 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -48.3284      2.00000
      2     -48.3284      2.00000
      3     -24.6691      2.00000
      4     -24.6691      2.00000
      5     -24.3083      2.00000
      6     -24.3083      2.00000
      7     -24.3083      2.00000
      8     -24.3083      2.00000
      9       4.1156      2.00000
     10       4.1156      2.00000
     11       8.5023      1.57774
     12       8.5023      0.19300
     13       9.1112      0.00000
     14       9.1112      0.00000
     15       9.1112      0.00000
     16       9.1112      0.00000
     17      11.2459      0.00000
     18      11.2459      0.00000
     19      11.2459      0.00000
     20      11.2459      0.00000
     21      21.6105      0.00000
     22      21.6105      0.00000
     23      23.8845      0.00000
     24      23.8845      0.00000
     25      27.7559      0.00000
     26      27.7559      0.00000
     27      27.7559      0.00000
     28      27.7559      0.00000
     29      31.2946      0.00000
     30      31.2946      0.00000
     31      31.2947      0.00000
     32      31.2947      0.00000
     33      33.5282      0.00000
     34      33.5282      0.00000
     35      38.8596      0.00000
     36      38.8596      0.00000
     37      40.8650      0.00000
     38      40.8650      0.00000
     39      40.8650      0.00000
     40      40.8650      0.00000
     41      44.7159      0.00000
     42      44.7159      0.00000
     43      44.7159      0.00000
     44      44.7159      0.00000
     45      46.0987      0.00000
     46      46.0987      0.00000
     47      57.6465      0.00000
     48      57.6465      0.00000
     49      58.1579      0.00000
     50      58.1579      0.00000
     51      58.1579      0.00000
     52      58.1579      0.00000
     53      60.0554      0.00000
     54      60.0555      0.00000
     55      66.8096      0.00000
     56      66.8096      0.00000

 k-point    78 :       0.0833    0.0000    0.5000
  band No.  band energies     occupation 
      1     -48.3238      2.00000
      2     -48.3238      2.00000
      3     -24.6736      2.00000
      4     -24.6736      2.00000
      5     -24.3315      2.00000
      6     -24.3315      2.00000
      7     -24.3159      2.00000
      8     -24.3159      2.00000
      9       4.2795      2.00000
     10       4.2795      2.00000
     11       8.3751      1.99660
     12       8.3751      1.28744
     13       9.0812      0.00000
     14       9.0812      0.00000
     15       9.2172      0.00000
     16       9.2172      0.00000
     17      11.2282      0.00000
     18      11.2282      0.00000
     19      11.2957      0.00000
     20      11.2957      0.00000
     21      21.7137      0.00000
     22      21.7137      0.00000
     23      23.8208      0.00000
     24      23.8208      0.00000
     25      26.8006      0.00000
     26      26.8006      0.00000
     27      27.3498      0.00000
     28      27.3498      0.00000
     29      31.6040      0.00000
     30      31.6040      0.00000
     31      31.6981      0.00000
     32      31.6981      0.00000
     33      34.6818      0.00000
     34      34.6818      0.00000
     35      38.2409      0.00000
     36      38.2409      0.00000
     37      40.4375      0.00000
     38      40.4375      0.00000
     39      40.5644      0.00000
     40      40.5644      0.00000
     41      45.2270      0.00000
     42      45.2270      0.00000
     43      45.2318      0.00000
     44      45.2318      0.00000
     45      46.8936      0.00000
     46      46.8936      0.00000
     47      57.2637      0.00000
     48      57.2637      0.00000
     49      57.9589      0.00000
     50      57.9589      0.00000
     51      58.9007      0.00000
     52      58.9007      0.00000
     53      59.7753      0.00000
     54      59.7753      0.00000
     55      64.9152      0.00000
     56      64.9152      0.00000

 k-point    79 :       0.1667    0.0000    0.5000
  band No.  band energies     occupation 
      1     -48.3101      2.00000
      2     -48.3101      2.00000
      3     -24.6937      2.00000
      4     -24.6937      2.00000
      5     -24.3851      2.00000
      6     -24.3851      2.00000
      7     -24.3364      2.00000
      8     -24.3364      2.00000
      9       4.7261      2.00000
     10       4.7261      2.00000
     11       8.1177      2.00000
     12       8.1177      2.14245
     13       8.9536      0.00000
     14       8.9536      0.00000
     15       9.5021      0.00000
     16       9.5021      0.00000
     17      11.2008      0.00000
     18      11.2008      0.00000
     19      11.4473      0.00000
     20      11.4473      0.00000
     21      21.9724      0.00000
     22      21.9724      0.00000
     23      23.0357      0.00000
     24      23.0357      0.00000
     25      25.8220      0.00000
     26      25.8220      0.00000
     27      26.4219      0.00000
     28      26.4219      0.00000
     29      32.0639      0.00000
     30      32.0639      0.00000
     31      32.5878      0.00000
     32      32.5878      0.00000
     33      36.2782      0.00000
     34      36.2782      0.00000
     35      37.5485      0.00000
     36      37.5485      0.00000
     37      40.0933      0.00000
     38      40.0933      0.00000
     39      40.3640      0.00000
     40      40.3640      0.00000
     41      45.9628      0.00000
     42      45.9628      0.00000
     43      46.3887      0.00000
     44      46.3887      0.00000
     45      48.6854      0.00000
     46      48.6854      0.00000
     47      56.8725      0.00000
     48      56.8725      0.00000
     49      57.0272      0.00000
     50      57.0272      0.00000
     51      59.1472      0.00000
     52      59.1472      0.00000
     53      59.7587      0.00000
     54      59.7587      0.00000
     55      62.7893      0.00000
     56      62.7893      0.00000

 k-point    80 :       0.2500    0.0000    0.5000
  band No.  band energies     occupation 
      1     -48.2913      2.00000
      2     -48.2913      2.00000
      3     -24.7449      2.00000
      4     -24.7449      2.00000
      5     -24.4337      2.00000
      6     -24.4337      2.00000
      7     -24.3640      2.00000
      8     -24.3640      2.00000
      9       5.2924      2.00000
     10       5.2924      2.00000
     11       7.8887      2.00000
     12       7.8887      2.00111
     13       8.8407      0.00000
     14       8.8407      0.00000
     15       9.8507      0.00000
     16       9.8507      0.00000
     17      11.2484      0.00000
     18      11.2484      0.00000
     19      11.6627      0.00000
     20      11.6627      0.00000
     21      21.1577      0.00000
     22      21.1577      0.00000
     23      22.4444      0.00000
     24      22.4444      0.00000
     25      25.3135      0.00000
     26      25.3135      0.00000
     27      25.7209      0.00000
     28      25.7209      0.00000
     29      32.6330      0.00000
     30      32.6330      0.00000
     31      33.5183      0.00000
     32      33.5183      0.00000
     33      34.7449      0.00000
     34      34.7449      0.00000
     35      40.0316      0.00000
     36      40.0316      0.00000
     37      40.2671      0.00000
     38      40.2671      0.00000
     39      41.0451      0.00000
     40      41.0451      0.00000
     41      46.6899      0.00000
     42      46.6899      0.00000
     43      47.7590      0.00000
     44      47.7590      0.00000
     45      50.4919      0.00000
     46      50.4919      0.00000
     47      54.9162      0.00000
     48      54.9162      0.00000
     49      55.5880      0.00000
     50      55.5880      0.00000
     51      58.7495      0.00000
     52      58.7495      0.00000
     53      59.9193      0.00000
     54      59.9193      0.00000
     55      61.7484      0.00000
     56      61.7484      0.00000

 k-point    81 :       0.3333    0.0000    0.5000
  band No.  band energies     occupation 
      1     -48.2724      2.00000
      2     -48.2724      2.00000
      3     -24.8211      2.00000
      4     -24.8211      2.00000
      5     -24.4555      2.00000
      6     -24.4555      2.00000
      7     -24.3914      2.00000
      8     -24.3914      2.00000
      9       5.7079      2.00000
     10       5.7079      2.00000
     11       7.7400      2.00000
     12       7.7400      2.00000
     13       9.0195      0.00000
     14       9.0195      0.00000
     15      10.0832      0.00000
     16      10.0832      0.00000
     17      11.4757      0.00000
     18      11.4757      0.00000
     19      11.8911      0.00000
     20      11.8911      0.00000
     21      19.2625      0.00000
     22      19.2625      0.00000
     23      22.8088      0.00000
     24      22.8088      0.00000
     25      24.2481      0.00000
     26      24.2481      0.00000
     27      25.8478      0.00000
     28      25.8478      0.00000
     29      31.8304      0.00000
     30      31.8304      0.00000
     31      34.1611      0.00000
     32      34.1611      0.00000
     33      35.1624      0.00000
     34      35.1624      0.00000
     35      40.7348      0.00000
     36      40.7348      0.00000
     37      41.0839      0.00000
     38      41.0839      0.00000
     39      44.1245      0.00000
     40      44.1245      0.00000
     41      47.2485      0.00000
     42      47.2485      0.00000
     43      48.8970      0.00000
     44      48.8970      0.00000
     45      51.2610      0.00000
     46      51.2610      0.00000
     47      52.4949      0.00000
     48      52.4949      0.00000
     49      54.7337      0.00000
     50      54.7337      0.00000
     51      57.5582      0.00000
     52      57.5582      0.00000
     53      58.4218      0.00000
     54      58.4218      0.00000
     55      62.3655      0.00000
     56      62.3655      0.00000

 k-point    82 :       0.4167    0.0000    0.5000
  band No.  band energies     occupation 
      1     -48.2586      2.00000
      2     -48.2586      2.00000
      3     -24.8871      2.00000
      4     -24.8871      2.00000
      5     -24.4604      2.00000
      6     -24.4604      2.00000
      7     -24.4116      2.00000
      8     -24.4116      2.00000
      9       5.8549      2.00000
     10       5.8549      2.00000
     11       7.6387      2.00000
     12       7.6387      2.00000
     13       9.4992      0.00000
     14       9.4992      0.00000
     15      10.1565      0.00000
     16      10.1565      0.00000
     17      11.7920      0.00000
     18      11.7920      0.00000
     19      12.1175      0.00000
     20      12.1175      0.00000
     21      17.7014      0.00000
     22      17.7014      0.00000
     23      23.0775      0.00000
     24      23.0775      0.00000
     25      23.4537      0.00000
     26      23.4537      0.00000
     27      26.0835      0.00000
     28      26.0835      0.00000
     29      30.5765      0.00000
     30      30.5765      0.00000
     31      34.4401      0.00000
     32      34.4401      0.00000
     33      36.4182      0.00000
     34      36.4182      0.00000
     35      41.9900      0.00000
     36      41.9900      0.00000
     37      42.1237      0.00000
     38      42.1237      0.00000
     39      46.4475      0.00000
     40      46.4475      0.00000
     41      47.5538      0.00000
     42      47.5538      0.00000
     43      48.2835      0.00000
     44      48.2835      0.00000
     45      51.0552      0.00000
     46      51.0552      0.00000
     47      51.7685      0.00000
     48      51.7685      0.00000
     49      54.7587      0.00000
     50      54.7587      0.00000
     51      56.1490      0.00000
     52      56.1490      0.00000
     53      57.8600      0.00000
     54      57.8600      0.00000
     55      59.3234      0.00000
     56      59.3234      0.00000

 k-point    83 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -48.2536      2.00000
      2     -48.2536      2.00000
      3     -24.9127      2.00000
      4     -24.9127      2.00000
      5     -24.4607      2.00000
      6     -24.4607      2.00000
      7     -24.4188      2.00000
      8     -24.4188      2.00000
      9       5.8756      2.00000
     10       5.8756      2.00000
     11       7.5994      2.00000
     12       7.5994      2.00000
     13       9.7677      0.00000
     14       9.7677      0.00000
     15      10.1665      0.00000
     16      10.1665      0.00000
     17      11.9389      0.00000
     18      11.9389      0.00000
     19      12.2468      0.00000
     20      12.2468      0.00000
     21      17.0429      0.00000
     22      17.0429      0.00000
     23      23.1547      0.00000
     24      23.1547      0.00000
     25      23.1696      0.00000
     26      23.1696      0.00000
     27      26.2426      0.00000
     28      26.2426      0.00000
     29      30.0392      0.00000
     30      30.0392      0.00000
     31      34.5052      0.00000
     32      34.5052      0.00000
     33      36.9657      0.00000
     34      36.9657      0.00000
     35      42.7925      0.00000
     36      42.7925      0.00000
     37      43.1408      0.00000
     38      43.1408      0.00000
     39      45.6468      0.00000
     40      45.6468      0.00000
     41      47.1186      0.00000
     42      47.1186      0.00000
     43      49.2531      0.00000
     44      49.2531      0.00000
     45      50.7838      0.00000
     46      50.7838      0.00000
     47      52.1154      0.00000
     48      52.1154      0.00000
     49      54.5787      0.00000
     50      54.5787      0.00000
     51      55.9357      0.00000
     52      55.9357      0.00000
     53      57.4559      0.00000
     54      57.4559      0.00000
     55      57.8705      0.00000
     56      57.8705      0.00000

 k-point    84 :       0.0833    0.0833    0.5000
  band No.  band energies     occupation 
      1     -48.3145      2.00000
      2     -48.3145      2.00000
      3     -24.6857      2.00000
      4     -24.6857      2.00000
      5     -24.3691      2.00000
      6     -24.3691      2.00000
      7     -24.3308      2.00000
      8     -24.3308      2.00000
      9       4.5870      2.00000
     10       4.5870      2.00000
     11       8.1909      2.00000
     12       8.1909      2.11595
     13       8.9830      0.00000
     14       8.9830      0.00000
     15       9.4193      0.00000
     16       9.4193      0.00000
     17      11.2021      0.00000
     18      11.2021      0.00000
     19      11.4040      0.00000
     20      11.4040      0.00000
     21      21.8986      0.00000
     22      21.8986      0.00000
     23      23.4871      0.00000
     24      23.4871      0.00000
     25      25.3307      0.00000
     26      25.3307      0.00000
     27      27.4190      0.00000
     28      27.4190      0.00000
     29      31.1473      0.00000
     30      31.1473      0.00000
     31      32.9476      0.00000
     32      32.9476      0.00000
     33      36.4644      0.00000
     34      36.4644      0.00000
     35      37.1224      0.00000
     36      37.1224      0.00000
     37      39.4217      0.00000
     38      39.4217      0.00000
     39      41.1421      0.00000
     40      41.1421      0.00000
     41      45.3680      0.00000
     42      45.3680      0.00000
     43      46.3137      0.00000
     44      46.3137      0.00000
     45      48.1911      0.00000
     46      48.1911      0.00000
     47      57.1468      0.00000
     48      57.1468      0.00000
     49      57.4647      0.00000
     50      57.4647      0.00000
     51      58.4614      0.00000
     52      58.4614      0.00000
     53      60.2098      0.00000
     54      60.2098      0.00000
     55      63.3837      0.00000
     56      63.3837      0.00000

 k-point    85 :       0.1667    0.0833    0.5000
  band No.  band energies     occupation 
      1     -48.2981      2.00000
      2     -48.2981      2.00000
      3     -24.7204      2.00000
      4     -24.7204      2.00000
      5     -24.4198      2.00000
      6     -24.4198      2.00000
      7     -24.3559      2.00000
      8     -24.3559      2.00000
      9       5.1093      2.00000
     10       5.1093      2.00000
     11       7.9707      2.00000
     12       7.9707      2.03725
     13       8.8052      0.00000
     14       8.8052      0.00000
     15       9.7377      0.00000
     16       9.7377      0.00000
     17      11.2282      0.00000
     18      11.2282      0.00000
     19      11.5976      0.00000
     20      11.5976      0.00000
     21      21.9940      0.00000
     22      21.9940      0.00000
     23      22.4880      0.00000
     24      22.4880      0.00000
     25      24.0140      0.00000
     26      24.0140      0.00000
     27      27.5675      0.00000
     28      27.5675      0.00000
     29      31.0898      0.00000
     30      31.0898      0.00000
     31      34.2799      0.00000
     32      34.2799      0.00000
     33      35.3433      0.00000
     34      35.3433      0.00000
     35      38.7036      0.00000
     36      38.7036      0.00000
     37      39.4004      0.00000
     38      39.4004      0.00000
     39      41.7806      0.00000
     40      41.7807      0.00000
     41      45.9724      0.00000
     42      45.9724      0.00000
     43      47.4937      0.00000
     44      47.4937      0.00000
     45      49.8837      0.00000
     46      49.8837      0.00000
     47      55.5688      0.00000
     48      55.5688      0.00000
     49      56.4621      0.00000
     50      56.4621      0.00000
     51      58.0863      0.00000
     52      58.0863      0.00000
     53      61.0559      0.00000
     54      61.0559      0.00000
     55      62.2418      0.00000
     56      62.2418      0.00000

 k-point    86 :       0.2500    0.0833    0.5000
  band No.  band energies     occupation 
      1     -48.2793      2.00000
      2     -48.2793      2.00000
      3     -24.7835      2.00000
      4     -24.7835      2.00000
      5     -24.4567      2.00000
      6     -24.4567      2.00000
      7     -24.3824      2.00000
      8     -24.3824      2.00000
      9       5.6304      2.00000
     10       5.6304      2.00000
     11       7.8212      2.00000
     12       7.8212      2.00000
     13       8.7445      0.00000
     14       8.7445      0.00000
     15       9.9898      0.00000
     16       9.9898      0.00000
     17      11.4548      0.00000
     18      11.4548      0.00000
     19      11.8178      0.00000
     20      11.8178      0.00000
     21      20.2668      0.00000
     22      20.2668      0.00000
     23      22.5980      0.00000
     24      22.5980      0.00000
     25      23.3644      0.00000
     26      23.3644      0.00000
     27      27.3342      0.00000
     28      27.3342      0.00000
     29      31.7055      0.00000
     30      31.7055      0.00000
     31      33.3152      0.00000
     32      33.3152      0.00000
     33      35.9709      0.00000
     34      35.9709      0.00000
     35      38.9685      0.00000
     36      38.9685      0.00000
     37      41.7349      0.00000
     38      41.7349      0.00000
     39      42.9995      0.00000
     40      42.9995      0.00000
     41      46.8514      0.00000
     42      46.8514      0.00000
     43      48.6861      0.00000
     44      48.6861      0.00000
     45      50.6675      0.00000
     46      50.6675      0.00000
     47      53.6668      0.00000
     48      53.6668      0.00000
     49      55.0296      0.00000
     50      55.0296      0.00000
     51      58.2061      0.00000
     52      58.2061      0.00000
     53      59.5131      0.00000
     54      59.5131      0.00000
     55      61.6715      0.00000
     56      61.6715      0.00000

 k-point    87 :       0.3333    0.0833    0.5000
  band No.  band energies     occupation 
      1     -48.2629      2.00000
      2     -48.2629      2.00000
      3     -24.8530      2.00000
      4     -24.8530      2.00000
      5     -24.4769      2.00000
      6     -24.4769      2.00000
      7     -24.4010      2.00000
      8     -24.4010      2.00000
      9       5.9139      2.00000
     10       5.9139      2.00000
     11       7.7294      2.00000
     12       7.7294      2.00000
     13       8.9809     -0.00107
     14       8.9809      0.00000
     15      10.1374      0.00000
     16      10.1374      0.00000
     17      11.7353      0.00000
     18      11.7353      0.00000
     19      12.1615      0.00000
     20      12.1615      0.00000
     21      18.4645      0.00000
     22      18.4645      0.00000
     23      22.3020      0.00000
     24      22.3020      0.00000
     25      23.4303      0.00000
     26      23.4303      0.00000
     27      27.1056      0.00000
     28      27.1056      0.00000
     29      31.0952      0.00000
     30      31.0952      0.00000
     31      33.1921      0.00000
     32      33.1921      0.00000
     33      37.3024      0.00000
     34      37.3024      0.00000
     35      39.7254      0.00000
     36      39.7254      0.00000
     37      42.9866      0.00000
     38      42.9866      0.00000
     39      45.4666      0.00000
     40      45.4666      0.00000
     41      46.9789      0.00000
     42      46.9789      0.00000
     43      49.1530      0.00000
     44      49.1530      0.00000
     45      50.7242      0.00000
     46      50.7242      0.00000
     47      52.2079      0.00000
     48      52.2079      0.00000
     49      55.3078      0.00000
     50      55.3078      0.00000
     51      56.3934      0.00000
     52      56.3934      0.00000
     53      58.3175      0.00000
     54      58.3175      0.00000
     55      60.6888      0.00000
     56      60.6888      0.00000

 k-point    88 :       0.4167    0.0833    0.5000
  band No.  band energies     occupation 
      1     -48.2535      2.00000
      2     -48.2535      2.00000
      3     -24.8972      2.00000
      4     -24.8972      2.00000
      5     -24.4869      2.00000
      6     -24.4869      2.00000
      7     -24.4089      2.00000
      8     -24.4089      2.00000
      9       5.9856      2.00000
     10       5.9856      2.00000
     11       7.6713      2.00000
     12       7.6713      2.00000
     13       9.2375     -0.04507
     14       9.2375      0.00000
     15      10.3178      0.00000
     16      10.3178      0.00000
     17      11.7908      0.00000
     18      11.7908      0.00000
     19      12.6053      0.00000
     20      12.6053      0.00000
     21      17.2482      0.00000
     22      17.2482      0.00000
     23      21.9289      0.00000
     24      21.9289      0.00000
     25      23.6611      0.00000
     26      23.6611      0.00000
     27      27.1268      0.00000
     28      27.1268      0.00000
     29      30.0764      0.00000
     30      30.0764      0.00000
     31      33.6219      0.00000
     32      33.6219      0.00000
     33      38.1397      0.00000
     34      38.1397      0.00000
     35      41.1510      0.00000
     36      41.1510      0.00000
     37      43.4081      0.00000
     38      43.4081      0.00000
     39      45.9057      0.00000
     40      45.9057      0.00000
     41      47.1340      0.00000
     42      47.1340      0.00000
     43      49.3890      0.00000
     44      49.3890      0.00000
     45      50.8062      0.00000
     46      50.8062      0.00000
     47      52.0801      0.00000
     48      52.0801      0.00000
     49      54.7938      0.00000
     50      54.7938      0.00000
     51      56.4302      0.00000
     52      56.4302      0.00000
     53      57.4028      0.00000
     54      57.4029      0.00000
     55      58.8937      0.00000
     56      58.8937      0.00000

 k-point    89 :       0.1667    0.1667    0.5000
  band No.  band energies     occupation 
      1     -48.2819      2.00000
      2     -48.2819      2.00000
      3     -24.7662      2.00000
      4     -24.7662      2.00000
      5     -24.4594      2.00000
      6     -24.4594      2.00000
      7     -24.3805      2.00000
      8     -24.3805      2.00000
      9       5.6191      2.00000
     10       5.6191      2.00000
     11       7.8653      2.00000
     12       7.8653      2.00000
     13       8.5995      0.00000
     14       8.5995      0.00000
     15       9.9235      0.00000
     16       9.9235      0.00000
     17      11.5040      0.00000
     18      11.5040      0.00000
     19      11.7922      0.00000
     20      11.7922      0.00000
     21      21.1875      0.00000
     22      21.1875      0.00000
     23      21.9224      0.00000
     24      21.9224      0.00000
     25      22.8870      0.00000
     26      22.8870      0.00000
     27      29.0368      0.00000
     28      29.0368      0.00000
     29      30.1528      0.00000
     30      30.1528      0.00000
     31      33.7366      0.00000
     32      33.7366      0.00000
     33      36.2059      0.00000
     34      36.2059      0.00000
     35      38.4972      0.00000
     36      38.4972      0.00000
     37      41.0539      0.00000
     38      41.0539      0.00000
     39      43.5221      0.00000
     40      43.5221      0.00000
     41      46.3510      0.00000
     42      46.3510      0.00000
     43      48.7722      0.00000
     44      48.7722      0.00000
     45      50.1963      0.00000
     46      50.1963      0.00000
     47      54.0958      0.00000
     48      54.0958      0.00000
     49      55.2391      0.00000
     50      55.2391      0.00000
     51      58.0876      0.00000
     52      58.0876      0.00000
     53      60.8094      0.00000
     54      60.8094      0.00000
     55      62.3644      0.00000
     56      62.3644      0.00000

 k-point    90 :       0.2500    0.1667    0.5000
  band No.  band energies     occupation 
      1     -48.2655      2.00000
      2     -48.2655      2.00000
      3     -24.8194      2.00000
      4     -24.8194      2.00000
      5     -24.5006      2.00000
      6     -24.5006      2.00000
      7     -24.3953      2.00000
      8     -24.3953      2.00000
      9       6.0501      2.00000
     10       6.0501      2.00000
     11       7.8347      2.00000
     12       7.8347      2.00000
     13       8.5152      0.08672
     14       8.5152      0.04569
     15       9.9748      0.00000
     16       9.9748      0.00000
     17      11.8358      0.00000
     18      11.8358      0.00000
     19      12.2379      0.00000
     20      12.2379      0.00000
     21      19.4986      0.00000
     22      19.4986      0.00000
     23      20.9175      0.00000
     24      20.9175      0.00000
     25      23.4476      0.00000
     26      23.4476      0.00000
     27      28.7506      0.00000
     28      28.7506      0.00000
     29      30.9615      0.00000
     30      30.9615      0.00000
     31      32.3150      0.00000
     32      32.3150      0.00000
     33      37.4909      0.00000
     34      37.4909      0.00000
     35      39.3008      0.00000
     36      39.3008      0.00000
     37      42.4686      0.00000
     38      42.4686      0.00000
     39      45.1582      0.00000
     40      45.1582      0.00000
     41      47.0535      0.00000
     42      47.0535      0.00000
     43      48.9223      0.00000
     44      48.9223      0.00000
     45      50.1533      0.00000
     46      50.1533      0.00000
     47      53.1579      0.00000
     48      53.1580      0.00000
     49      55.3521      0.00000
     50      55.3521      0.00000
     51      57.3076      0.00000
     52      57.3076      0.00000
     53      58.8940      0.00000
     54      58.8940      0.00000
     55      60.8042      0.00000
     56      60.8042      0.00000

 k-point    91 :       0.3333    0.1667    0.5000
  band No.  band energies     occupation 
      1     -48.2533      2.00000
      2     -48.2533      2.00000
      3     -24.8613      2.00000
      4     -24.8613      2.00000
      5     -24.5334      2.00000
      6     -24.5334      2.00000
      7     -24.3998      2.00000
      8     -24.3998      2.00000
      9       6.2596      2.00000
     10       6.2596      2.00000
     11       7.8202      2.00000
     12       7.8202      2.00000
     13       8.5673      0.24768
     14       8.5673      0.07229
     15      10.1339      0.00000
     16      10.1339      0.00000
     17      11.7981      0.00000
     18      11.7981      0.00000
     19      13.0617      0.00000
     20      13.0617      0.00000
     21      17.8630      0.00000
     22      17.8630      0.00000
     23      20.3649      0.00000
     24      20.3649      0.00000
     25      24.0608      0.00000
     26      24.0608      0.00000
     27      28.3249      0.00000
     28      28.3249      0.00000
     29      30.1774      0.00000
     30      30.1774      0.00000
     31      32.8468      0.00000
     32      32.8468      0.00000
     33      38.7657      0.00000
     34      38.7657      0.00000
     35      40.0755      0.00000
     36      40.0755      0.00000
     37      43.4657      0.00000
     38      43.4657      0.00000
     39      45.5035      0.00000
     40      45.5035      0.00000
     41      46.6253      0.00000
     42      46.6253      0.00000
     43      50.4102      0.00000
     44      50.4102      0.00000
     45      51.1873      0.00000
     46      51.1873      0.00000
     47      51.4784      0.00000
     48      51.4784      0.00000
     49      55.3853      0.00000
     50      55.3853      0.00000
     51      56.9328      0.00000
     52      56.9328      0.00000
     53      57.5755      0.00000
     54      57.5755      0.00000
     55      59.6682      0.00000
     56      59.6682      0.00000

 k-point    92 :       0.4167    0.1667    0.5000
  band No.  band energies     occupation 
      1     -48.2487      2.00000
      2     -48.2487      2.00000
      3     -24.8770      2.00000
      4     -24.8770      2.00000
      5     -24.5460      2.00000
      6     -24.5460      2.00000
      7     -24.4003      2.00000
      8     -24.4003      2.00000
      9       6.3085      2.00000
     10       6.3085      2.00000
     11       7.8151      2.00000
     12       7.8151      2.00000
     13       8.5884      0.35827
     14       8.5884      0.08753
     15      10.2963      0.00000
     16      10.2963      0.00000
     17      11.7184      0.00000
     18      11.7184      0.00000
     19      13.5257      0.00000
     20      13.5257      0.00000
     21      17.1146      0.00000
     22      17.1146      0.00000
     23      20.1597      0.00000
     24      20.1597      0.00000
     25      24.3516      0.00000
     26      24.3516      0.00000
     27      28.2647      0.00000
     28      28.2647      0.00000
     29      29.5310      0.00000
     30      29.5310      0.00000
     31      33.2502      0.00000
     32      33.2502      0.00000
     33      39.8328      0.00000
     34      39.8328      0.00000
     35      40.4441      0.00000
     36      40.4441      0.00000
     37      42.2398      0.00000
     38      42.2398      0.00000
     39      46.8737      0.00000
     40      46.8737      0.00000
     41      47.2968      0.00000
     42      47.2968      0.00000
     43      48.8692      0.00000
     44      48.8693      0.00000
     45      50.5657      0.00000
     46      50.5657      0.00000
     47      53.3698      0.00000
     48      53.3698      0.00000
     49      55.6823      0.00000
     50      55.6823      0.00000
     51      55.9589      0.00000
     52      55.9589      0.00000
     53      57.3672      0.00000
     54      57.3672      0.00000
     55      58.9354      0.00000
     56      58.9354      0.00000

 k-point    93 :       0.2500    0.2500    0.5000
  band No.  band energies     occupation 
      1     -48.2534      2.00000
      2     -48.2534      2.00000
      3     -24.8397      2.00000
      4     -24.8397      2.00000
      5     -24.5589      2.00000
      6     -24.5589      2.00000
      7     -24.3970      2.00000
      8     -24.3970      2.00000
      9       6.4470      2.00000
     10       6.4470      2.00000
     11       7.8540      2.00000
     12       7.8540      2.00000
     13       8.2994      2.12059
     14       8.2994      1.52923
     15       9.9729      0.00000
     16       9.9729      0.00000
     17      11.8288      0.00000
     18      11.8288      0.00000
     19      13.2565      0.00000
     20      13.2565      0.00000
     21      18.6855      0.00000
     22      18.6855      0.00000
     23      19.1851      0.00000
     24      19.1851      0.00000
     25      24.2684      0.00000
     26      24.2684      0.00000
     27      28.7041      0.00000
     28      28.7041      0.00000
     29      30.1964      0.00000
     30      30.1964      0.00000
     31      32.9342      0.00000
     32      32.9342      0.00000
     33      37.5448      0.00000
     34      37.5448      0.00000
     35      41.6686      0.00000
     36      41.6686      0.00000
     37      42.4912      0.00000
     38      42.4912      0.00000
     39      45.2572      0.00000
     40      45.2572      0.00000
     41      46.6215      0.00000
     42      46.6215      0.00000
     43      50.7713      0.00000
     44      50.7713      0.00000
     45      51.1739      0.00000
     46      51.1739      0.00000
     47      51.5524      0.00000
     48      51.5524      0.00000
     49      55.1570      0.00000
     50      55.1570      0.00000
     51      56.8651      0.00000
     52      56.8651      0.00000
     53      58.1145      0.00000
     54      58.1146      0.00000
     55      60.9434      0.00000
     56      60.9434      0.00000

 k-point    94 :       0.3333    0.2500    0.5000
  band No.  band energies     occupation 
      1     -48.2464      2.00000
      2     -48.2464      2.00000
      3     -24.8443      2.00000
      4     -24.8443      2.00000
      5     -24.6019      2.00000
      6     -24.6019      2.00000
      7     -24.3955      2.00000
      8     -24.3955      2.00000
      9       6.7162      2.00000
     10       6.7162      2.00000
     11       7.7719      2.00000
     12       7.7719      2.00000
     13       8.2044      2.08793
     14       8.2044      2.00721
     15      10.1111      0.00000
     16      10.1111      0.00000
     17      11.6867      0.00000
     18      11.6867      0.00000
     19      14.3122      0.00000
     20      14.3122      0.00000
     21      17.3389      0.00000
     22      17.3389      0.00000
     23      18.6946      0.00000
     24      18.6946      0.00000
     25      25.1422      0.00000
     26      25.1422      0.00000
     27      27.9545      0.00000
     28      27.9545      0.00000
     29      29.5219      0.00000
     30      29.5219      0.00000
     31      34.2066      0.00000
     32      34.2066      0.00000
     33      37.9955      0.00000
     34      37.9955      0.00000
     35      40.8077      0.00000
     36      40.8077      0.00000
     37      43.5174      0.00000
     38      43.5174      0.00000
     39      45.7552      0.00000
     40      45.7552      0.00000
     41      47.6939      0.00000
     42      47.6939      0.00000
     43      49.4094      0.00000
     44      49.4094      0.00000
     45      50.5267      0.00000
     46      50.5267      0.00000
     47      52.8428      0.00000
     48      52.8428      0.00000
     49      54.9848      0.00000
     50      54.9848      0.00000
     51      57.8020      0.00000
     52      57.8020      0.00000
     53      58.0929      0.00000
     54      58.0929      0.00000
     55      59.2603      0.00000
     56      59.2603      0.00000

 k-point    95 :       0.3333    0.3333    0.5000
  band No.  band energies     occupation 
      1     -48.2441      2.00000
      2     -48.2441      2.00000
      3     -24.8281      2.00000
      4     -24.8281      2.00000
      5     -24.6375      2.00000
      6     -24.6375      2.00000
      7     -24.3937      2.00000
      8     -24.3937      2.00000
      9       7.1714      2.00000
     10       7.1714      2.00000
     11       7.3455      2.00000
     12       7.3455      2.00000
     13       8.2084      2.00000
     14       8.2084      2.00000
     15      10.1099      0.00000
     16      10.1099      0.00000
     17      11.6050      0.00000
     18      11.6050      0.00000
     19      15.2310      0.00000
     20      15.2310      0.00000
     21      16.7369      0.00000
     22      16.7369      0.00000
     23      18.0726      0.00000
     24      18.0726      0.00000
     25      26.4936      0.00000
     26      26.4936      0.00000
     27      26.5612      0.00000
     28      26.5612      0.00000
     29      29.4418      0.00000
     30      29.4418      0.00000
     31      36.0424      0.00000
     32      36.0424      0.00000
     33      36.6772      0.00000
     34      36.6772      0.00000
     35      39.9830      0.00000
     36      39.9830      0.00000
     37      45.0077      0.00000
     38      45.0077      0.00000
     39      46.6767      0.00000
     40      46.6767      0.00000
     41      46.7476      0.00000
     42      46.7476      0.00000
     43      49.8243      0.00000
     44      49.8243      0.00000
     45      50.4991      0.00000
     46      50.4991      0.00000
     47      50.7609      0.00000
     48      50.7609      0.00000
     49      57.3594      0.00000
     50      57.3594      0.00000
     51      58.4757      0.00000
     52      58.4757      0.00000
     53      58.4899      0.00000
     54      58.4899      0.00000
     55      59.1946      0.00000
     56      59.1946      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
 -4.180 -19.170   0.000  -0.000   0.000  -0.000   0.000  -0.000
-19.170   7.279   0.000  -0.000   0.000   0.000  -0.000   0.000
  0.000   0.000 -22.477  -0.000  -0.000   7.075   0.000   0.000
 -0.000  -0.000  -0.000 -22.530  -0.000   0.000   7.108   0.000
  0.000   0.000  -0.000  -0.000 -22.477   0.000   0.000   7.075
 -0.000   0.000   7.075   0.000   0.000   6.605  -0.000  -0.000
  0.000  -0.000   0.000   7.108   0.000  -0.000   6.590  -0.000
 -0.000   0.000   0.000   0.000   7.075  -0.000  -0.000   6.605
 -0.000  -0.000   0.000  -0.000   0.005  -0.000   0.000  -0.002
 -0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.024  -0.003  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000  -0.000   0.005  -0.000   0.000  -0.002   0.000  -0.000
 -0.000  -0.000   0.000  -0.000   0.006  -0.000   0.000  -0.002
 -0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.030  -0.003  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000  -0.000   0.006  -0.000   0.000  -0.002   0.000  -0.000
 total augmentation occupancy for first ion, spin component:           1
  1.996  -0.043   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.005   0.000   0.000   0.000   0.000   0.006
 -0.043   1.629  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.073  -0.000  -0.000   0.000   0.000  -0.031
 -0.000   0.000   1.982   0.000   0.000  -0.037  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.003   0.000  -0.000  -0.000
  0.000   0.000   0.000   1.982   0.000  -0.000  -0.036   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000
  0.000   0.000   0.000   0.000   1.982   0.000   0.000  -0.037  -0.003   0.000   0.000   0.000   0.000   0.003   0.000   0.000
  0.000   0.000  -0.037  -0.000   0.000   0.113   0.000   0.000   0.000   0.000   0.000   0.000  -0.081   0.000   0.000  -0.000
  0.000   0.000   0.000  -0.036   0.000  -0.000   0.105   0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000
  0.000   0.000  -0.000  -0.000  -0.037   0.000   0.000   0.113  -0.081   0.000   0.000  -0.000  -0.000   0.025   0.000  -0.000
  0.000   0.000   0.000  -0.000  -0.003   0.000   0.000  -0.081   2.045   0.000   0.000   0.000   0.000  -0.872   0.000   0.000
  0.000   0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000   1.800   0.000  -0.000   0.000   0.000  -0.810   0.000
 -0.005   0.073   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   2.132  -0.000  -0.000   0.000  -0.000  -0.891
 -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   1.800   0.000   0.000   0.000   0.000
  0.000  -0.000  -0.003   0.000   0.000  -0.081   0.000   0.000   0.000   0.000  -0.000   0.000   2.045   0.000   0.000   0.000
  0.000   0.000   0.000  -0.000   0.003   0.000   0.000   0.025  -0.872   0.000   0.000   0.000   0.000   0.387  -0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000  -0.810   0.000   0.000   0.000  -0.000   0.375   0.000
  0.006  -0.031  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.891  -0.000   0.000   0.000   0.000   0.388
  0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.810   0.000   0.000   0.000   0.000
 -0.000   0.000   0.003   0.000   0.000   0.025  -0.000   0.000   0.000  -0.000   0.000   0.000  -0.872   0.000  -0.000  -0.000


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





 total charge     

# of ion       s       p       d       tot
------------------------------------------
    1        2.244   6.123   1.884  10.251
    2        2.244   6.123   1.885  10.252
--------------------------------------------------
tot          4.488  12.246   3.768  20.503

    CHARGE:  cpu time    0.1384: real time    0.1389
    FORLOC:  cpu time    0.0003: real time    0.0003
    FORNL :  cpu time    0.0791: real time    0.0794
    STRESS:  cpu time    0.6756: real time    0.6776
    FORCOR:  cpu time    0.0051: real time    0.0051
    FORHAR:  cpu time    0.0014: real time    0.0015
    MIXING:  cpu time    0.0009: real time    0.0009
    OFIELD:  cpu time    0.0001: real time    0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   115.27672   115.27672   115.27672
  Ewald    -782.11392  -782.11392  -753.32165     0.00000    -0.00000     0.00000
  Hartree   238.51009   238.51009   252.00175     0.00000    -0.00000    -0.00000
  E(xc)    -126.74827  -126.74828  -126.74468     0.00000    -0.00000    -0.00000
  Local     150.41875   150.41873   111.71840    -0.00000    -0.00000     0.00000
  n-local   -60.70061   -88.97897   -78.00253   -15.62052     0.97656    -1.39092
  augment   118.36013   118.36009   117.70056    -0.00000     0.00000     0.00000
  Kinetic   349.18970   373.06524   361.37103    13.33205    -1.17762     0.83535
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.00885    -0.00885    -0.00040     0.00000     0.00000     0.00000
  in kB      -0.41111    -0.41111    -0.01869     0.00000     0.00000     0.00000
  external pressure =       -0.28 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      343.26
  volume of cell :       34.50
      direct lattice vectors                 reciprocal lattice vectors
     1.464391093 -2.536399775 -0.000000000     0.341438843 -0.197129808  0.000000000
     1.464391093  2.536399775  0.000000000     0.341438843  0.197129808 -0.000000000
     0.000000000  0.000000000  4.643995335     0.000000000 -0.000000000  0.215331827

  length of vectors
     2.928782186  2.928782186  4.643995335     0.394259615  0.394259615  0.215331827


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.240E-12 0.969E-07 -.305E-13   0.819E-12 0.321E-12 -.298E-13   -.208E-16 0.000E+00 0.000E+00   0.466E-13 -.142E-07 -.349E-13
   -.389E-10 -.123E-06 -.221E-11   -.823E-12 -.321E-12 0.298E-13   0.694E-17 0.416E-16 0.000E+00   -.970E-13 0.141E-07 -.308E-13
 -----------------------------------------------------------------------------------------------
   -.391E-10 -.259E-07 -.224E-11   -.431E-14 -.570E-15 0.000E+00   -.139E-16 0.416E-16 0.000E+00   -.504E-13 -.253E-10 -.656E-13


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      1.46439     -0.84547      2.32200         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  =       -15.63443515 eV

  energy  without entropy=      -15.63443515  energy(sigma->0) =      -15.63443515



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


    POTLOK:  cpu time    0.0131: real time    0.0131


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


     LOOP+:  cpu time  319.8231: real time  321.0252
    4ORBIT:  cpu time    0.0000: real time    0.0000



 total charge     

# of ion       s       p       d       tot
------------------------------------------
    1        2.244   6.123   1.884  10.251
    2        2.244   6.123   1.885  10.252
--------------------------------------------------
tot          4.488  12.246   3.768  20.503

 BZINTS: Fermi energy:  8.448120; 24.000000 electrons
         Band energy:-434.094596;  BLOECHL correction: -0.018381

 total amount of memory used by VASP MPI-rank0    39244. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       7678. kBytes
   fftplans  :        165. kBytes
   grid      :        434. kBytes
   one-center:         31. kBytes
   wavefun   :        936. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      324.415
                            User time (sec):      324.021
                          System time (sec):        0.394
                         Elapsed time (sec):      326.619
  
                   Maximum memory used (kb):       55620.
                   Average memory used (kb):           0.
  
                          Minor page faults:        28250
                          Major page faults:            7
                 Voluntary context switches:         2809
