 vasp.5.3.3 18Dez12 (build Nov 29 2013 15:18:52) complex                         
 executed on             GFORTRAN date 2014.01.26  18:56:56
 running on    4 total cores
 distrk:  each k-point on    4 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,    4 groups


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


 INCAR:
 POTCAR:    PAW_PBE Zn 06Sep2000                  
 POTCAR:    PAW_PBE O 08Apr2002                   
 POTCAR:    PAW_PBE Zn 06Sep2000                  
   VRHFIN =Zn: d10 p2                                                           
   LEXCH  = PE                                                                  
   EATOM  =  1748.8345 eV,  128.5357 Ry                                         
                                                                                
   TITEL  = PAW_PBE Zn 06Sep2000                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   65.390; ZVAL   =   12.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.400; RWIGS  =    1.270    wigner-seitz radius (au A)           
   ENMAX  =  276.723; ENMIN  =  207.542 eV                                      
   RCLOC  =    1.828    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  575.892                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.347    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.324    radius for radial grids                                 
   RDEPT  =    1.788    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    9 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -9524.6913   2.0000                                         
     2  0  0.50     -1158.1882   2.0000                                         
     2  1  1.50     -1003.8506   6.0000                                         
     3  0  0.50      -129.2194   2.0000                                         
     3  1  1.50       -83.3890   6.0000                                         
     3  2  2.50       -10.1410  10.0000                                         
     4  0  0.50        -5.9785   2.0000                                         
     4  1  0.50        -4.0817   0.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2    -10.1410010     23  2.300                                             
     2    -11.5015836     23  2.300                                             
     0     -5.9785163     23  2.300                                             
     0      1.1858015     23  2.300                                             
     1     -2.7211652     23  2.300                                             
     1     13.2444212     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=           2  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=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

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

 POTCAR:    PAW_PBE O 08Apr2002                   
   VRHFIN =O: s2p4                                                              
   LEXCH  = PE                                                                  
   EATOM  =   432.3788 eV,   31.7789 Ry                                         
                                                                                
   TITEL  = PAW_PBE O 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   16.000; ZVAL   =    6.000    mass and valenz                      
   RCORE  =    1.520    outmost cutoff radius                                   
   RWIGS  =    1.550; RWIGS  =    0.820    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  605.392                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.553    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.550    radius for radial grids                                 
   RDEPT  =    1.329    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -514.6923   2.0000                                         
     2  0  0.50       -23.9615   2.0000                                         
     2  1  0.50        -9.0305   4.0000                                         
     3  2  1.50        -9.5241   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -23.9615318     23  1.200                                             
     0     -9.5240782     23  1.200                                             
     1     -9.0304911     23  1.520                                             
     1      8.1634956     23  1.520                                             
     2     -9.5240782      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  kinetic energy density of atom read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8

  PAW_PBE Zn 06Sep2000                  :
 energy of atom  1       EATOM=-1748.8345
 kinetic energy error for atom=    0.0020 (will be added to EATOM!!)
  PAW_PBE O 08Apr2002                   :
 energy of atom  2       EATOM= -432.3788
 kinetic energy error for atom=    0.0168 (will be added to EATOM!!)


 POSCAR: Generated by cif2cell 1.1.0.  :  S.C.Abr
  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  0.333  0.667  0.001-   4 2.00   4 2.00   4 2.00   3 2.01
   2  0.667  0.333  0.501-   3 2.00   3 2.00   3 2.00   4 2.01
   3  0.333  0.667  0.382-   2 2.00   2 2.00   2 2.00   1 2.01
   4  0.667  0.333  0.882-   1 2.00   1 2.00   1 2.00   2 2.01

  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


 irot  :   1
 --------------------------------------------------------------------
 isymop:   1   0   0
           0   1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   1)  (   2->   2)  (   3->   3)  (   4->   4) 


 irot  :   2
 --------------------------------------------------------------------
 isymop:   0  -1   0
           1  -1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   1)  (   2->   2)  (   3->   3)  (   4->   4) 


 irot  :   3
 --------------------------------------------------------------------
 isymop:  -1   1   0
          -1   0   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   1)  (   2->   2)  (   3->   3)  (   4->   4) 


 irot  :   4
 --------------------------------------------------------------------
 isymop:  -1   1   0
           0   1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   1)  (   2->   2)  (   3->   3)  (   4->   4) 


 irot  :   5
 --------------------------------------------------------------------
 isymop:   1   0   0
           1  -1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   1)  (   2->   2)  (   3->   3)  (   4->   4) 


 irot  :   6
 --------------------------------------------------------------------
 isymop:   0  -1   0
          -1   0   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   1)  (   2->   2)  (   3->   3)  (   4->   4) 


 irot  :   7
 --------------------------------------------------------------------
 isymop:   1  -1   0
           1   0   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.5000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   2)  (   2->   1)  (   3->   4)  (   4->   3) 


 irot  :   8
 --------------------------------------------------------------------
 isymop:  -1   0   0
           0  -1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.5000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   2)  (   2->   1)  (   3->   4)  (   4->   3) 


 irot  :   9
 --------------------------------------------------------------------
 isymop:   0   1   0
          -1   1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.5000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   2)  (   2->   1)  (   3->   4)  (   4->   3) 


 irot  :  10
 --------------------------------------------------------------------
 isymop:   0   1   0
           1   0   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.5000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   2)  (   2->   1)  (   3->   4)  (   4->   3) 


 irot  :  11
 --------------------------------------------------------------------
 isymop:   1  -1   0
           0  -1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.5000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   2)  (   2->   1)  (   3->   4)  (   4->   3) 


 irot  :  12
 --------------------------------------------------------------------
 isymop:  -1   0   0
          -1   1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.5000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   2)  (   2->   1)  (   3->   4)  (   4->   3) 


 KPOINTS: Generated by cif2cell 1.1.0. k-space res

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   120.000000     0.000000     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     0.866025    -0.500000     0.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.866025     0.500000     0.000000     0.000000     0.000000     0.000000
    7     1.000000    60.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.500000
    8     1.000000   179.999999     0.000000     0.000000     1.000000     0.000000     0.000000     0.500000
    9     1.000000    60.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.500000
   10    -1.000000   180.000000     0.500000    -0.866025     0.000000     0.000000     0.000000     0.500000
   11    -1.000000   180.000000    -0.500000    -0.866025     0.000000     0.000000     0.000000     0.500000
   12    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.500000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     64 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.090909  0.000000  0.000000      6.000000
  0.181818  0.000000  0.000000      6.000000
  0.272727  0.000000  0.000000      6.000000
  0.363636  0.000000  0.000000      6.000000
  0.454545  0.000000  0.000000      6.000000
  0.090909  0.090909  0.000000      6.000000
  0.181818  0.090909  0.000000     12.000000
  0.272727  0.090909  0.000000     12.000000
  0.363636  0.090909  0.000000     12.000000
  0.454545  0.090909  0.000000      6.000000
  0.181818  0.181818  0.000000      6.000000
  0.272727  0.181818  0.000000     12.000000
  0.363636  0.181818  0.000000     12.000000
  0.272727  0.272727  0.000000      6.000000
  0.363636  0.272727  0.000000      6.000000
  0.000000  0.000000  0.166667      2.000000
  0.090909  0.000000  0.166667     12.000000
  0.181818  0.000000  0.166667     12.000000
  0.272727  0.000000  0.166667     12.000000
  0.363636  0.000000  0.166667     12.000000
  0.454545  0.000000  0.166667     12.000000
  0.090909  0.090909  0.166667     12.000000
  0.181818  0.090909  0.166667     24.000000
  0.272727  0.090909  0.166667     24.000000
  0.363636  0.090909  0.166667     24.000000
  0.454545  0.090909  0.166667     12.000000
  0.181818  0.181818  0.166667     12.000000
  0.272727  0.181818  0.166667     24.000000
  0.363636  0.181818  0.166667     24.000000
  0.272727  0.272727  0.166667     12.000000
  0.363636  0.272727  0.166667     12.000000
  0.000000  0.000000  0.333333      2.000000
  0.090909  0.000000  0.333333     12.000000
  0.181818  0.000000  0.333333     12.000000
  0.272727  0.000000  0.333333     12.000000
  0.363636  0.000000  0.333333     12.000000
  0.454545  0.000000  0.333333     12.000000
  0.090909  0.090909  0.333333     12.000000
  0.181818  0.090909  0.333333     24.000000
  0.272727  0.090909  0.333333     24.000000
  0.363636  0.090909  0.333333     24.000000
  0.454545  0.090909  0.333333     12.000000
  0.181818  0.181818  0.333333     12.000000
  0.272727  0.181818  0.333333     24.000000
  0.363636  0.181818  0.333333     24.000000
  0.272727  0.272727  0.333333     12.000000
  0.363636  0.272727  0.333333     12.000000
  0.000000  0.000000  0.500000      1.000000
  0.090909  0.000000  0.500000      6.000000
  0.181818  0.000000  0.500000      6.000000
  0.272727  0.000000  0.500000      6.000000
  0.363636  0.000000  0.500000      6.000000
  0.454545  0.000000  0.500000      6.000000
  0.090909  0.090909  0.500000      6.000000
  0.181818  0.090909  0.500000     12.000000
  0.272727  0.090909  0.500000     12.000000
  0.363636  0.090909  0.500000     12.000000
  0.454545  0.090909  0.500000      6.000000
  0.181818  0.181818  0.500000      6.000000
  0.272727  0.181818  0.500000     12.000000
  0.363636  0.181818  0.500000     12.000000
  0.272727  0.272727  0.500000      6.000000
  0.363636  0.272727  0.500000      6.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.103537  0.000000  0.000000      6.000000
  0.207075  0.000000  0.000000      6.000000
  0.310612  0.000000  0.000000      6.000000
  0.414149  0.000000  0.000000      6.000000
  0.517687  0.000000  0.000000      6.000000
  0.155306  0.089666  0.000000      6.000000
  0.258843  0.089666  0.000000     12.000000
  0.362381  0.089666  0.000000     12.000000
  0.465918  0.089666  0.000000     12.000000
  0.569455  0.089666  0.000000      6.000000
  0.310612  0.179332  0.000000      6.000000
  0.414149  0.179332  0.000000     12.000000
  0.517687  0.179332  0.000000     12.000000
  0.465918  0.268998  0.000000      6.000000
  0.569455  0.268998  0.000000      6.000000
  0.000000  0.000000  0.102495      2.000000
  0.103537  0.000000  0.102495     12.000000
  0.207075  0.000000  0.102495     12.000000
  0.310612  0.000000  0.102495     12.000000
  0.414149  0.000000  0.102495     12.000000
  0.517687  0.000000  0.102495     12.000000
  0.155306  0.089666  0.102495     12.000000
  0.258843  0.089666  0.102495     24.000000
  0.362381  0.089666  0.102495     24.000000
  0.465918  0.089666  0.102495     24.000000
  0.569455  0.089666  0.102495     12.000000
  0.310612  0.179332  0.102495     12.000000
  0.414149  0.179332  0.102495     24.000000
  0.517687  0.179332  0.102495     24.000000
  0.465918  0.268998  0.102495     12.000000
  0.569455  0.268998  0.102495     12.000000
  0.000000  0.000000  0.204989      2.000000
  0.103537  0.000000  0.204989     12.000000
  0.207075  0.000000  0.204989     12.000000
  0.310612  0.000000  0.204989     12.000000
  0.414149  0.000000  0.204989     12.000000
  0.517687  0.000000  0.204989     12.000000
  0.155306  0.089666  0.204989     12.000000
  0.258843  0.089666  0.204989     24.000000
  0.362381  0.089666  0.204989     24.000000
  0.465918  0.089666  0.204989     24.000000
  0.569455  0.089666  0.204989     12.000000
  0.310612  0.179332  0.204989     12.000000
  0.414149  0.179332  0.204989     24.000000
  0.517687  0.179332  0.204989     24.000000
  0.465918  0.268998  0.204989     12.000000
  0.569455  0.268998  0.204989     12.000000
  0.000000  0.000000  0.307484      1.000000
  0.103537  0.000000  0.307484      6.000000
  0.207075  0.000000  0.307484      6.000000
  0.310612  0.000000  0.307484      6.000000
  0.414149  0.000000  0.307484      6.000000
  0.517687  0.000000  0.307484      6.000000
  0.155306  0.089666  0.307484      6.000000
  0.258843  0.089666  0.307484     12.000000
  0.362381  0.089666  0.307484     12.000000
  0.465918  0.089666  0.307484     12.000000
  0.569455  0.089666  0.307484      6.000000
  0.310612  0.179332  0.307484      6.000000
  0.414149  0.179332  0.307484     12.000000
  0.517687  0.179332  0.307484     12.000000
  0.465918  0.268998  0.307484      6.000000
  0.569455  0.268998  0.307484      6.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    726 k-points in 1st BZ
 the following    726 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000       1 t-inv F
  0.090909  0.000000  0.000000       2 t-inv F
  0.181818  0.000000  0.000000       3 t-inv F
  0.272727  0.000000  0.000000       4 t-inv F
  0.363636  0.000000  0.000000       5 t-inv F
  0.454545  0.000000  0.000000       6 t-inv F
  0.090909  0.090909  0.000000       7 t-inv F
  0.181818  0.090909  0.000000       8 t-inv F
  0.272727  0.090909  0.000000       9 t-inv F
  0.363636  0.090909  0.000000      10 t-inv F
  0.454545  0.090909  0.000000      11 t-inv F
  0.181818  0.181818  0.000000      12 t-inv F
  0.272727  0.181818  0.000000      13 t-inv F
  0.363636  0.181818  0.000000      14 t-inv F
  0.272727  0.272727  0.000000      15 t-inv F
  0.363636  0.272727  0.000000      16 t-inv F
  0.000000  0.000000  0.166667      17 t-inv F
  0.090909  0.000000  0.166667      18 t-inv F
  0.181818  0.000000  0.166667      19 t-inv F
  0.272727  0.000000  0.166667      20 t-inv F
  0.363636  0.000000  0.166667      21 t-inv F
  0.454545  0.000000  0.166667      22 t-inv F
  0.090909  0.090909  0.166667      23 t-inv F
  0.181818  0.090909  0.166667      24 t-inv F
  0.272727  0.090909  0.166667      25 t-inv F
  0.363636  0.090909  0.166667      26 t-inv F
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  0.272727 -0.454545 -0.333333      45 t-inv T
 -0.454545  0.181818 -0.333333      45 t-inv T
  0.181818  0.272727 -0.333333      45 t-inv T
  0.181818 -0.454545 -0.333333      45 t-inv T
  0.272727  0.181818 -0.333333      45 t-inv T
 -0.454545  0.272727 -0.333333      45 t-inv T
 -0.181818 -0.272727 -0.333333      45 t-inv T
 -0.272727  0.454545 -0.333333      45 t-inv T
  0.454545 -0.181818 -0.333333      45 t-inv T
 -0.363636 -0.181818 -0.333333      46 t-inv T
  0.545455 -0.363636 -0.333333      46 t-inv T
 -0.181818  0.545455 -0.333333      46 t-inv T
  0.363636 -0.545455 -0.333333      46 t-inv T
 -0.545455  0.181818 -0.333333      46 t-inv T
  0.181818  0.363636 -0.333333      46 t-inv T
  0.181818 -0.545455 -0.333333      46 t-inv T
  0.363636  0.181818 -0.333333      46 t-inv T
 -0.545455  0.363636 -0.333333      46 t-inv T
 -0.181818 -0.363636 -0.333333      46 t-inv T
 -0.363636  0.545455 -0.333333      46 t-inv T
  0.545455 -0.181818 -0.333333      46 t-inv T
 -0.272727 -0.272727 -0.333333      47 t-inv T
  0.545455 -0.272727 -0.333333      47 t-inv T
 -0.272727  0.545455 -0.333333      47 t-inv T
  0.272727 -0.545455 -0.333333      47 t-inv T
 -0.545455  0.272727 -0.333333      47 t-inv T
  0.272727  0.272727 -0.333333      47 t-inv T
 -0.363636 -0.272727 -0.333333      48 t-inv T
  0.636364 -0.363636 -0.333333      48 t-inv T
 -0.272727  0.636364 -0.333333      48 t-inv T
  0.363636 -0.636364 -0.333333      48 t-inv T
 -0.636364  0.272727 -0.333333      48 t-inv T
  0.272727  0.363636 -0.333333      48 t-inv T

 ----------------------------------------------------------------------------- 
|                                                                             |
|           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   !!!           |
|                                                                             |
|      The number of bands has been changed from the values supplied          |
|      in the INCAR file. This is a result of running the parallel version.   |
|      The orbitals not found in the WAVECAR file will be initialized with    |
|      random numbers, which is usually adequate. For correlated              |
|      calculations, however, you should redo the groundstate calculation.    |
|      I found NBANDS    =       38  now  NBANDS  =      40                   |
|                                                                             |
 ----------------------------------------------------------------------------- 



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




 Dimension of arrays:
   k-points           NKPTS =     64   k-points in BZ     NKDIM =     64   number of bands    NBANDS=     40
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =  32928
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  19948
   dimension x,y,z NGX =    28 NGY =   28 NGZ =   42
   dimension x,y,z NGXF=    56 NGYF=   56 NGZF=   84
   support grid    NGXF=    56 NGYF=   56 NGZF=   84
   ions per type =               2   2
 NGX,Y,Z   is equivalent  to a cutoff of  14.13, 14.13, 13.21 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  28.25, 28.25, 26.42 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    26 NGY =   26 NGZ =   42
 SYSTEM =  unknown system                          
 POSCAR =  Generated by cif2cell 1.1.0.  :  S.C.Abr

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

 Electronic Relaxation 1
   ENCUT  =  600.0 eV  44.10 Ry    6.64 a.u.   6.58  6.58 10.56*2*pi/ulx,y,z
   ENINI  =  600.0     initial cutoff
   ENAUG  =  605.4 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  4; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.5E-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   0.00000
 Ionic relaxation
   EDIFFG = 0.5E-04   stopping-criterion for IOM
   NSW    =      1    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =      8    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.2000    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=  -0.248E-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 =  65.39 16.00
  Ionic Valenz
   ZVAL   =  12.00  6.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00
   NELECT =      36.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.05  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      T    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.31E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      12.42        83.83
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.470325  2.778511 29.413815  2.161854
  Thomas-Fermi vector in A             =   2.585595

 Write flags
   LWAVE  =      T    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =      0    0 simple, 1 ext, 2 COOP (PROOUT)


 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=     T    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

 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



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


 linear response using symmetry
 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           22
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.05


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


  energy-cutoff  :      600.00
  volume of cell :       49.69
      direct lattice vectors                 reciprocal lattice vectors
     2.853604050 -1.647529067  0.000000000     0.350434041  0.000000000  0.000000000
     0.000000000  3.295058133  0.000000000     0.175217021  0.303484782 -0.000000000
     0.000000000  0.000000000  5.284824189    -0.000000000  0.000000000  0.189221053

  length of vectors
     3.295058133  3.295058133  5.284824189     0.350434041  0.350434041  0.189221053



 old parameters found on file WAVECAR:
  energy-cutoff  :      600.00
  volume of cell :       49.69
      direct lattice vectors                 reciprocal lattice vectors
     2.853604050 -1.647529067  0.000000000     0.350434041 -0.000000000 -0.000000000
     0.000000000  3.295058133 -0.000000000     0.175217021  0.303484782  0.000000000
     0.000000000 -0.000000000  5.284824189     0.000000000  0.000000000  0.189221053

  length of vectors


 k-points in units of 2pi/SCALE and weight: Generated by cif2cell 1.1.0. k-space res
   0.00000000  0.00000000  0.00000000       0.001
   0.10353733  0.00000000  0.00000000       0.008
   0.20707466  0.00000000  0.00000000       0.008
   0.31061199  0.00000000  0.00000000       0.008
   0.41414932  0.00000000  0.00000000       0.008
   0.51768665  0.00000000  0.00000000       0.008
   0.15530600  0.08966596  0.00000000       0.008
   0.25884333  0.08966596  0.00000000       0.017
   0.36238066  0.08966596  0.00000000       0.017
   0.46591799  0.08966596  0.00000000       0.017
   0.56945532  0.08966596  0.00000000       0.008
   0.31061199  0.17933192  0.00000000       0.008
   0.41414932  0.17933192  0.00000000       0.017
   0.51768665  0.17933192  0.00000000       0.017
   0.46591799  0.26899788  0.00000000       0.008
   0.56945532  0.26899788  0.00000000       0.008
   0.00000000  0.00000000  0.10249474       0.003
   0.10353733  0.00000000  0.10249474       0.017
   0.20707466  0.00000000  0.10249474       0.017
   0.31061199  0.00000000  0.10249474       0.017
   0.41414932  0.00000000  0.10249474       0.017
   0.51768665  0.00000000  0.10249474       0.017
   0.15530600  0.08966596  0.10249474       0.017
   0.25884333  0.08966596  0.10249474       0.033
   0.36238066  0.08966596  0.10249474       0.033
   0.46591799  0.08966596  0.10249474       0.033
   0.56945532  0.08966596  0.10249474       0.017
   0.31061199  0.17933192  0.10249474       0.017
   0.41414932  0.17933192  0.10249474       0.033
   0.51768665  0.17933192  0.10249474       0.033
   0.46591799  0.26899788  0.10249474       0.017
   0.56945532  0.26899788  0.10249474       0.017
   0.00000000  0.00000000  0.20498947       0.003
   0.10353733  0.00000000  0.20498947       0.017
   0.20707466  0.00000000  0.20498947       0.017
   0.31061199  0.00000000  0.20498947       0.017
   0.41414932  0.00000000  0.20498947       0.017
   0.51768665  0.00000000  0.20498947       0.017
   0.15530600  0.08966596  0.20498947       0.017
   0.25884333  0.08966596  0.20498947       0.033
   0.36238066  0.08966596  0.20498947       0.033
   0.46591799  0.08966596  0.20498947       0.033
   0.56945532  0.08966596  0.20498947       0.017
   0.31061199  0.17933192  0.20498947       0.017
   0.41414932  0.17933192  0.20498947       0.033
   0.51768665  0.17933192  0.20498947       0.033
   0.46591799  0.26899788  0.20498947       0.017
   0.56945532  0.26899788  0.20498947       0.017
   0.00000000  0.00000000  0.30748421       0.001
   0.10353733  0.00000000  0.30748421       0.008
   0.20707466  0.00000000  0.30748421       0.008
   0.31061199  0.00000000  0.30748421       0.008
   0.41414932  0.00000000  0.30748421       0.008
   0.51768665  0.00000000  0.30748421       0.008
   0.15530600  0.08966596  0.30748421       0.008
   0.25884333  0.08966596  0.30748421       0.017
   0.36238066  0.08966596  0.30748421       0.017
   0.46591799  0.08966596  0.30748421       0.017
   0.56945532  0.08966596  0.30748421       0.008
   0.31061199  0.17933192  0.30748421       0.008
   0.41414932  0.17933192  0.30748421       0.017
   0.51768665  0.17933192  0.30748421       0.017
   0.46591799  0.26899788  0.30748421       0.008
   0.56945532  0.26899788  0.30748421       0.008

 k-points in reciprocal lattice and weights: Generated by cif2cell 1.1.0. k-space res
   0.00000000  0.00000000  0.00000000       0.001
   0.09090909  0.00000000  0.00000000       0.008
   0.18181818  0.00000000  0.00000000       0.008
   0.27272727  0.00000000  0.00000000       0.008
   0.36363636  0.00000000  0.00000000       0.008
   0.45454545  0.00000000  0.00000000       0.008
   0.09090909  0.09090909  0.00000000       0.008
   0.18181818  0.09090909  0.00000000       0.017
   0.27272727  0.09090909  0.00000000       0.017
   0.36363636  0.09090909  0.00000000       0.017
   0.45454545  0.09090909  0.00000000       0.008
   0.18181818  0.18181818  0.00000000       0.008
   0.27272727  0.18181818  0.00000000       0.017
   0.36363636  0.18181818  0.00000000       0.017
   0.27272727  0.27272727  0.00000000       0.008
   0.36363636  0.27272727  0.00000000       0.008
   0.00000000  0.00000000  0.16666667       0.003
   0.09090909  0.00000000  0.16666667       0.017
   0.18181818  0.00000000  0.16666667       0.017
   0.27272727  0.00000000  0.16666667       0.017
   0.36363636  0.00000000  0.16666667       0.017
   0.45454545  0.00000000  0.16666667       0.017
   0.09090909  0.09090909  0.16666667       0.017
   0.18181818  0.09090909  0.16666667       0.033
   0.27272727  0.09090909  0.16666667       0.033
   0.36363636  0.09090909  0.16666667       0.033
   0.45454545  0.09090909  0.16666667       0.017
   0.18181818  0.18181818  0.16666667       0.017
   0.27272727  0.18181818  0.16666667       0.033
   0.36363636  0.18181818  0.16666667       0.033
   0.27272727  0.27272727  0.16666667       0.017
   0.36363636  0.27272727  0.16666667       0.017
   0.00000000  0.00000000  0.33333333       0.003
   0.09090909  0.00000000  0.33333333       0.017
   0.18181818  0.00000000  0.33333333       0.017
   0.27272727  0.00000000  0.33333333       0.017
   0.36363636  0.00000000  0.33333333       0.017
   0.45454545  0.00000000  0.33333333       0.017
   0.09090909  0.09090909  0.33333333       0.017
   0.18181818  0.09090909  0.33333333       0.033
   0.27272727  0.09090909  0.33333333       0.033
   0.36363636  0.09090909  0.33333333       0.033
   0.45454545  0.09090909  0.33333333       0.017
   0.18181818  0.18181818  0.33333333       0.017
   0.27272727  0.18181818  0.33333333       0.033
   0.36363636  0.18181818  0.33333333       0.033
   0.27272727  0.27272727  0.33333333       0.017
   0.36363636  0.27272727  0.33333333       0.017
   0.00000000  0.00000000  0.50000000       0.001
   0.09090909  0.00000000  0.50000000       0.008
   0.18181818  0.00000000  0.50000000       0.008
   0.27272727  0.00000000  0.50000000       0.008
   0.36363636  0.00000000  0.50000000       0.008
   0.45454545  0.00000000  0.50000000       0.008
   0.09090909  0.09090909  0.50000000       0.008
   0.18181818  0.09090909  0.50000000       0.017
   0.27272727  0.09090909  0.50000000       0.017
   0.36363636  0.09090909  0.50000000       0.017
   0.45454545  0.09090909  0.50000000       0.008
   0.18181818  0.18181818  0.50000000       0.008
   0.27272727  0.18181818  0.50000000       0.017
   0.36363636  0.18181818  0.50000000       0.017
   0.27272727  0.27272727  0.50000000       0.008
   0.36363636  0.27272727  0.50000000       0.008

 position of ions in fractional coordinates (direct lattice) 
   0.33333333  0.66666667  0.00090035
   0.66666667  0.33333333  0.50090035
   0.33333333  0.66666667  0.38159965
   0.66666667  0.33333333  0.88159965

 position of ions in cartesian coordinates  (Angst):
   0.95120135  1.64752907  0.00475819
   1.90240270  0.00000000  2.64717029
   0.95120135  1.64752907  2.01668706
   1.90240270  0.00000000  4.65909915



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    1689
 k-point  2 :   0.0909 0.0000 0.0000  plane waves:    1681
 k-point  3 :   0.1818 0.0000 0.0000  plane waves:    1673
 k-point  4 :   0.2727 0.0000 0.0000  plane waves:    1665
 k-point  5 :   0.3636 0.0000 0.0000  plane waves:    1652
 k-point  6 :   0.4545 0.0000 0.0000  plane waves:    1642
 k-point  7 :   0.0909 0.0909 0.0000  plane waves:    1671
 k-point  8 :   0.1818 0.0909 0.0000  plane waves:    1667
 k-point  9 :   0.2727 0.0909 0.0000  plane waves:    1665
 k-point 10 :   0.3636 0.0909 0.0000  plane waves:    1651
 k-point 11 :   0.4545 0.0909 0.0000  plane waves:    1636
 k-point 12 :   0.1818 0.1818 0.0000  plane waves:    1655
 k-point 13 :   0.2727 0.1818 0.0000  plane waves:    1665
 k-point 14 :   0.3636 0.1818 0.0000  plane waves:    1656
 k-point 15 :   0.2727 0.2727 0.0000  plane waves:    1659
 k-point 16 :   0.3636 0.2727 0.0000  plane waves:    1654
 k-point 17 :   0.0000 0.0000 0.1667  plane waves:    1701
 k-point 18 :   0.0909 0.0000 0.1667  plane waves:    1686
 k-point 19 :   0.1818 0.0000 0.1667  plane waves:    1667
 k-point 20 :   0.2727 0.0000 0.1667  plane waves:    1664
 k-point 21 :   0.3636 0.0000 0.1667  plane waves:    1653
 k-point 22 :   0.4545 0.0000 0.1667  plane waves:    1652
 k-point 23 :   0.0909 0.0909 0.1667  plane waves:    1671
 k-point 24 :   0.1818 0.0909 0.1667  plane waves:    1665
 k-point 25 :   0.2727 0.0909 0.1667  plane waves:    1660
 k-point 26 :   0.3636 0.0909 0.1667  plane waves:    1653
 k-point 27 :   0.4545 0.0909 0.1667  plane waves:    1645
 k-point 28 :   0.1818 0.1818 0.1667  plane waves:    1657
 k-point 29 :   0.2727 0.1818 0.1667  plane waves:    1656
 k-point 30 :   0.3636 0.1818 0.1667  plane waves:    1653
 k-point 31 :   0.2727 0.2727 0.1667  plane waves:    1662
 k-point 32 :   0.3636 0.2727 0.1667  plane waves:    1653
 k-point 33 :   0.0000 0.0000 0.3333  plane waves:    1677
 k-point 34 :   0.0909 0.0000 0.3333  plane waves:    1671
 k-point 35 :   0.1818 0.0000 0.3333  plane waves:    1672
 k-point 36 :   0.2727 0.0000 0.3333  plane waves:    1661
 k-point 37 :   0.3636 0.0000 0.3333  plane waves:    1649
 k-point 38 :   0.4545 0.0000 0.3333  plane waves:    1650
 k-point 39 :   0.0909 0.0909 0.3333  plane waves:    1661
 k-point 40 :   0.1818 0.0909 0.3333  plane waves:    1659
 k-point 41 :   0.2727 0.0909 0.3333  plane waves:    1657
 k-point 42 :   0.3636 0.0909 0.3333  plane waves:    1652
 k-point 43 :   0.4545 0.0909 0.3333  plane waves:    1655
 k-point 44 :   0.1818 0.1818 0.3333  plane waves:    1662
 k-point 45 :   0.2727 0.1818 0.3333  plane waves:    1658
 k-point 46 :   0.3636 0.1818 0.3333  plane waves:    1655
 k-point 47 :   0.2727 0.2727 0.3333  plane waves:    1652
 k-point 48 :   0.3636 0.2727 0.3333  plane waves:    1656
 k-point 49 :   0.0000 0.0000 0.5000  plane waves:    1654
 k-point 50 :   0.0909 0.0000 0.5000  plane waves:    1656
 k-point 51 :   0.1818 0.0000 0.5000  plane waves:    1660
 k-point 52 :   0.2727 0.0000 0.5000  plane waves:    1656
 k-point 53 :   0.3636 0.0000 0.5000  plane waves:    1660
 k-point 54 :   0.4545 0.0000 0.5000  plane waves:    1654
 k-point 55 :   0.0909 0.0909 0.5000  plane waves:    1658
 k-point 56 :   0.1818 0.0909 0.5000  plane waves:    1658
 k-point 57 :   0.2727 0.0909 0.5000  plane waves:    1658
 k-point 58 :   0.3636 0.0909 0.5000  plane waves:    1650
 k-point 59 :   0.4545 0.0909 0.5000  plane waves:    1656
 k-point 60 :   0.1818 0.1818 0.5000  plane waves:    1656
 k-point 61 :   0.2727 0.1818 0.5000  plane waves:    1666
 k-point 62 :   0.3636 0.1818 0.5000  plane waves:    1658
 k-point 63 :   0.2727 0.2727 0.5000  plane waves:    1650
 k-point 64 :   0.3636 0.2727 0.5000  plane waves:    1644

 maximum and minimum number of plane-waves per node :      1701     1636

 maximum number of plane-waves:      1701
 maximum index in each direction: 
   IXMAX=    6   IYMAX=    6   IZMAX=   10
   IXMIN=   -7   IYMIN=   -6   IZMIN=  -11

 NGX is ok and might be reduce to  28
 NGY is ok and might be reduce to  26
 WARNING: aliasing errors must be expected set NGZ to  44 to avoid them
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

 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 on root node    87032. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      31517. kBytes
   fftplans  :       2392. kBytes
   grid      :       5080. kBytes
   one-center:         62. kBytes
   wavefun   :      17981. kBytes

 Broyden mixing: mesh for mixing (old mesh)
   NGX = 13   NGY = 13   NGZ = 21
  (NGX  = 56   NGY  = 56   NGZ  = 84)
  gives a total of   3549 points

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


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


 Maximum index for augmentation-charges         4779 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.482
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 4

 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00


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


    POTLOK:  cpu time    0.06: real time    0.06
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    4.76: real time    4.88
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.32: real time    0.32
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    5.15: real time    5.27

 eigenvalue-minimisations  :  4112
 total energy-change (2. order) :-0.1786190E+02  (-0.1693643E-06)
 number of electron      36.0000016 magnetization 
 augmentation part       17.4765797 magnetization 

 Broyden mixing:
  rms(total) = 0.22114E-03    rms(broyden)= 0.22113E-03
  rms(prec ) = 0.26828E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       224.66538296
  Ewald energy   TEWEN  =     -2920.47026172
  -1/2 Hartree   DENC   =     -1334.79379826
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       171.36935934
  PAW double counting   =      4064.81368480    -4425.98218855
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -159.85313502
  atomic energy  EATOM  =      4362.38905976
  ---------------------------------------------------
  free energy    TOTEN  =       -17.86189670 eV

  energy without entropy =      -17.86189670  energy(sigma->0) =      -17.86189670


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




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


    POTLOK:  cpu time    0.06: real time    0.06
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    4.53: real time    4.59
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.32: real time    0.32
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    4.92: real time    4.98

 eigenvalue-minimisations  :  4064
 total energy-change (2. order) :-0.4593312E-07  (-0.5816526E-07)
 number of electron      36.0000016 magnetization 
 augmentation part       17.4765119 magnetization 

 Broyden mixing:
  rms(total) = 0.47635E-04    rms(broyden)= 0.47622E-04
  rms(prec ) = 0.68969E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9523
  0.9523

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       224.66538296
  Ewald energy   TEWEN  =     -2920.47026172
  -1/2 Hartree   DENC   =     -1334.79671432
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       171.36945838
  PAW double counting   =      4064.81898399    -4425.99025035
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -159.84755545
  atomic energy  EATOM  =      4362.38905976
  ---------------------------------------------------
  free energy    TOTEN  =       -17.86189674 eV

  energy without entropy =      -17.86189674  energy(sigma->0) =      -17.86189674


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




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


    POTLOK:  cpu time    0.06: real time    0.06
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    4.23: real time    4.28
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.32: real time    0.32
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    4.62: real time    4.68

 eigenvalue-minimisations  :  3624
 total energy-change (2. order) : 0.2598063E-07  (-0.8472632E-08)
 number of electron      36.0000016 magnetization 
 augmentation part       17.4765376 magnetization 

 Broyden mixing:
  rms(total) = 0.54780E-04    rms(broyden)= 0.54777E-04
  rms(prec ) = 0.59651E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5624
  0.7042  2.4206

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       224.66538296
  Ewald energy   TEWEN  =     -2920.47026172
  -1/2 Hartree   DENC   =     -1334.79590073
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       171.36942519
  PAW double counting   =      4064.82077653    -4425.99084129
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -159.84953742
  atomic energy  EATOM  =      4362.38905976
  ---------------------------------------------------
  free energy    TOTEN  =       -17.86189672 eV

  energy without entropy =      -17.86189672  energy(sigma->0) =      -17.86189672


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




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


    POTLOK:  cpu time    0.06: real time    0.06
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    4.30: real time    4.34
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    4.36: real time    4.41

 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.1761873E-07  (-0.2604217E-08)
 number of electron      36.0000016 magnetization 
 augmentation part       17.4765376 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       224.66538296
  Ewald energy   TEWEN  =     -2920.47026172
  -1/2 Hartree   DENC   =     -1334.79641779
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       171.36944951
  PAW double counting   =      4064.82709764    -4425.99703192
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -159.84917515
  atomic energy  EATOM  =      4362.38905976
  ---------------------------------------------------
  free energy    TOTEN  =       -17.86189670 eV

  energy without entropy =      -17.86189670  energy(sigma->0) =      -17.86189670


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




 average (electrostatic) potential at core
  the test charge radii are     0.9521  0.7215
  (the norm of the test charge is              1.0000)
       1 -36.1309       2 -36.1309       3 -73.3867       4 -73.3867



 E-fermi :   1.1095     XC(G=0): -10.6835     alpha+bet : -7.5703


 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9317      2.00000
      2     -16.2678      2.00000
      3      -4.6793      2.00000
      4      -4.6793      2.00000
      5      -4.6208      2.00000
      6      -4.5030      2.00000
      7      -4.5030      2.00000
      8      -4.4738      2.00000
      9      -3.6194      2.00000
     10      -3.6194      2.00000
     11      -3.4258      2.00000
     12      -3.4258      2.00000
     13      -3.1566      2.00000
     14       0.0767      2.00000
     15       0.0767      2.00000
     16       0.7518      2.00000
     17       0.8226      2.00000
     18       0.8226      2.00000
     19       1.5461      0.00000
     20       5.8620      0.00000
     21       8.9196      0.00000
     22      13.4558      0.00000
     23      13.4558      0.00000
     24      14.6335      0.00000
     25      14.6550      0.00000
     26      14.6550      0.00000
     27      17.1491      0.00000
     28      18.7799      0.00000
     29      18.7799      0.00000
     30      20.3608      0.00000
     31      20.4803      0.00000
     32      20.4803      0.00000
     33      21.4950      0.00000
     34      23.4896      0.00000
     35      25.2562      0.00000
     36      25.2562      0.00000
     37      27.6882      0.00000
     38      28.6525      0.00000
     39      28.6525      0.00000
     40      28.9919      0.00000

 k-point   2 :       0.0909    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.8901      2.00000
      2     -16.2495      2.00000
      3      -4.7240      2.00000
      4      -4.6541      2.00000
      5      -4.5937      2.00000
      6      -4.5081      2.00000
      7      -4.4679      2.00000
      8      -4.4142      2.00000
      9      -3.6363      2.00000
     10      -3.6218      2.00000
     11      -3.4220      2.00000
     12      -3.3852      2.00000
     13      -3.1661      2.00000
     14      -0.2180      2.00000
     15      -0.0292      2.00000
     16       0.2751      2.00000
     17       0.7005      2.00000
     18       0.7662      2.00000
     19       2.1987      0.00000
     20       6.1974      0.00000
     21       8.9204      0.00000
     22      12.6214      0.00000
     23      13.5310      0.00000
     24      14.0480      0.00000
     25      14.7431      0.00000
     26      14.7560      0.00000
     27      16.7992      0.00000
     28      18.2511      0.00000
     29      18.9235      0.00000
     30      20.4197      0.00000
     31      21.3948      0.00000
     32      21.4910      0.00000
     33      22.1128      0.00000
     34      24.2200      0.00000
     35      24.9030      0.00000
     36      25.3357      0.00000
     37      28.1955      0.00000
     38      28.5765      0.00000
     39      28.6733      0.00000
     40      28.9548      0.00000

 k-point   3 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.7746      2.00000
      2     -16.2022      2.00000
      3      -4.8221      2.00000
      4      -4.5898      2.00000
      5      -4.5668      2.00000
      6      -4.4803      2.00000
      7      -4.3680      2.00000
      8      -4.2443      2.00000
      9      -3.6807      2.00000
     10      -3.6186      2.00000
     11      -3.4134      2.00000
     12      -3.2612      2.00000
     13      -3.1917      2.00000
     14      -0.9509      2.00000
     15      -0.3962      2.00000
     16      -0.3114      2.00000
     17       0.5421      2.00000
     18       0.6088      2.00000
     19       3.1904      0.00000
     20       6.9879      0.00000
     21       8.9159      0.00000
     22      11.2305      0.00000
     23      12.9190      0.00000
     24      13.7336      0.00000
     25      14.5243      0.00000
     26      14.8369      0.00000
     27      15.9754      0.00000
     28      17.9968      0.00000
     29      18.9727      0.00000
     30      21.4996      0.00000
     31      22.7784      0.00000
     32      23.2972      0.00000
     33      23.3537      0.00000
     34      23.9229      0.00000
     35      25.5920      0.00000
     36      27.0851      0.00000
     37      27.4578      0.00000
     38      28.5454      0.00000
     39      28.6831      0.00000
     40      29.9294      0.00000

 k-point   4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.6122      2.00000
      2     -16.1465      2.00000
      3      -4.9068      2.00000
      4      -4.5855      2.00000
      5      -4.5160      2.00000
      6      -4.3697      2.00000
      7      -4.2203      2.00000
      8      -4.0303      2.00000
      9      -3.7229      2.00000
     10      -3.5890      2.00000
     11      -3.4035      2.00000
     12      -3.2251      2.00000
     13      -3.0577      2.00000
     14      -1.7728      2.00000
     15      -1.0251      2.00000
     16      -0.6855      2.00000
     17       0.2785      2.00000
     18       0.3914      2.00000
     19       4.2558      0.00000
     20       7.8034      0.00000
     21       8.8563      0.00000
     22      10.0231      0.00000
     23      11.9761      0.00000
     24      13.5630      0.00000
     25      13.9570      0.00000
     26      14.6726      0.00000
     27      16.1455      0.00000
     28      18.6253      0.00000
     29      18.7948      0.00000
     30      20.8881      0.00000
     31      23.8142      0.00000
     32      24.8207      0.00000
     33      25.1707      0.00000
     34      25.5299      0.00000
     35      26.0476      0.00000
     36      27.3404      0.00000
     37      28.5035      0.00000
     38      28.5451      0.00000
     39      29.2089      0.00000
     40      29.3626      0.00000

 k-point   5 :       0.3636    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.4446      2.00000
      2     -16.1086      2.00000
      3      -4.9198      2.00000
      4      -4.6083      2.00000
      5      -4.4629      2.00000
      6      -4.2204      2.00000
      7      -4.0628      2.00000
      8      -3.9670      2.00000
      9      -3.6539      2.00000
     10      -3.5289      2.00000
     11      -3.3926      2.00000
     12      -3.2079      2.00000
     13      -2.9198      2.00000
     14      -2.3678      2.00000
     15      -1.5691      2.00000
     16      -1.0463      2.00000
     17      -0.0564      2.00000
     18       0.1800      2.00000
     19       5.3157      0.00000
     20       8.2570      0.00000
     21       8.5059      0.00000
     22       9.2678      0.00000
     23      11.4671      0.00000
     24      13.0027      0.00000
     25      13.9681      0.00000
     26      14.6103      0.00000
     27      16.3499      0.00000
     28      18.8511      0.00000
     29      19.7642      0.00000
     30      20.0203      0.00000
     31      23.8241      0.00000
     32      24.8253      0.00000
     33      26.1249      0.00000
     34      26.5500      0.00000
     35      27.4488      0.00000
     36      28.2011      0.00000
     37      28.9806      0.00000
     38      29.2788      0.00000
     39      29.2796      0.00000
     40      30.3302      0.00000

 k-point   6 :       0.4545    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.3261      2.00000
      2     -16.1024      2.00000
      3      -4.8703      2.00000
      4      -4.6289      2.00000
      5      -4.4391      2.00000
      6      -4.0801      2.00000
      7      -4.0301      2.00000
      8      -3.9579      2.00000
      9      -3.5821      2.00000
     10      -3.4717      2.00000
     11      -3.3838      2.00000
     12      -3.2670      2.00000
     13      -2.8993      2.00000
     14      -2.5381      2.00000
     15      -1.8477      2.00000
     16      -1.2768      2.00000
     17      -0.3368      2.00000
     18       0.0483      2.00000
     19       6.2189      0.00000
     20       7.7971      0.00000
     21       8.3855      0.00000
     22       9.0279      0.00000
     23      11.2426      0.00000
     24      13.0070      0.00000
     25      13.8484      0.00000
     26      14.6944      0.00000
     27      16.3553      0.00000
     28      18.9330      0.00000
     29      19.6135      0.00000
     30      20.7518      0.00000
     31      23.6288      0.00000
     32      24.9215      0.00000
     33      25.6603      0.00000
     34      26.5400      0.00000
     35      27.9053      0.00000
     36      28.0386      0.00000
     37      28.8353      0.00000
     38      29.5389      0.00000
     39      31.4588      0.00000
     40      32.0118      0.00000

 k-point   7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1     -16.8115      2.00000
      2     -16.2167      2.00000
      3      -4.7796      2.00000
      4      -4.6326      2.00000
      5      -4.5539      2.00000
      6      -4.5102      2.00000
      7      -4.3953      2.00000
      8      -4.2962      2.00000
      9      -3.6633      2.00000
     10      -3.6249      2.00000
     11      -3.4167      2.00000
     12      -3.3010      2.00000
     13      -3.1838      2.00000
     14      -0.6520      2.00000
     15      -0.4358      2.00000
     16      -0.0795      2.00000
     17       0.5974      2.00000
     18       0.6357      2.00000
     19       2.9221      0.00000
     20       6.7619      0.00000
     21       8.9234      0.00000
     22      11.6577      0.00000
     23      13.0525      0.00000
     24      13.8064      0.00000
     25      14.3179      0.00000
     26      15.1978      0.00000
     27      16.5293      0.00000
     28      16.9321      0.00000
     29      20.4224      0.00000
     30      20.7911      0.00000
     31      21.8509      0.00000
     32      22.4177      0.00000
     33      23.6447      0.00000
     34      23.7294      0.00000
     35      25.5616      0.00000
     36      26.4561      0.00000
     37      27.5500      0.00000
     38      28.6370      0.00000
     39      28.6883      0.00000
     40      29.6086      0.00000

 k-point   8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1     -16.6723      2.00000
      2     -16.1652      2.00000
      3      -4.8502      2.00000
      4      -4.6103      2.00000
      5      -4.5224      2.00000
      6      -4.4417      2.00000
      7      -4.2652      2.00000
      8      -4.1055      2.00000
      9      -3.7047      2.00000
     10      -3.6120      2.00000
     11      -3.4083      2.00000
     12      -3.2139      2.00000
     13      -3.1278      2.00000
     14      -1.3708      2.00000
     15      -0.9634      2.00000
     16      -0.5175      2.00000
     17       0.3923      2.00000
     18       0.4095      2.00000
     19       3.9083      0.00000
     20       7.5778      0.00000
     21       8.9355      0.00000
     22      10.5229      0.00000
     23      12.1893      0.00000
     24      13.4256      0.00000
     25      13.8328      0.00000
     26      15.2991      0.00000
     27      16.1062      0.00000
     28      17.1843      0.00000
     29      20.2986      0.00000
     30      21.8041      0.00000
     31      22.4896      0.00000
     32      23.5804      0.00000
     33      24.8342      0.00000
     34      25.0571      0.00000
     35      26.1906      0.00000
     36      26.8248      0.00000
     37      28.2732      0.00000
     38      28.4493      0.00000
     39      28.6565      0.00000
     40      30.3170      0.00000

 k-point   9 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1     -16.5062      2.00000
      2     -16.1191      2.00000
      3      -4.8828      2.00000
      4      -4.5960      2.00000
      5      -4.4886      2.00000
      6      -4.3075      2.00000
      7      -4.1107      2.00000
      8      -3.9589      2.00000
      9      -3.7103      2.00000
     10      -3.5679      2.00000
     11      -3.3967      2.00000
     12      -3.2145      2.00000
     13      -2.9344      2.00000
     14      -2.0814      2.00000
     15      -1.4081      2.00000
     16      -1.0284      2.00000
     17       0.0868      2.00000
     18       0.1648      2.00000
     19       4.9773      0.00000
     20       8.1907      0.00000
     21       8.8840      0.00000
     22       9.5642      0.00000
     23      11.6331      0.00000
     24      12.7731      0.00000
     25      13.5520      0.00000
     26      14.9118      0.00000
     27      16.3625      0.00000
     28      18.1312      0.00000
     29      20.1875      0.00000
     30      20.9718      0.00000
     31      23.6346      0.00000
     32      24.9290      0.00000
     33      25.2818      0.00000
     34      26.1292      0.00000
     35      26.9048      0.00000
     36      27.6875      0.00000
     37      28.3556      0.00000
     38      28.9340      0.00000
     39      29.2162      0.00000
     40      29.9528      0.00000

 k-point  10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1     -16.3589      2.00000
      2     -16.1007      2.00000
      3      -4.8526      2.00000
      4      -4.5730      2.00000
      5      -4.4580      2.00000
      6      -4.1694      2.00000
      7      -3.9995      2.00000
      8      -3.9531      2.00000
      9      -3.6178      2.00000
     10      -3.5241      2.00000
     11      -3.3820      2.00000
     12      -3.1805      2.00000
     13      -2.9543      2.00000
     14      -2.4086      2.00000
     15      -1.7709      2.00000
     16      -1.3684      2.00000
     17      -0.2625      2.00000
     18      -0.0256      2.00000
     19       6.0064      0.00000
     20       8.3527      0.00000
     21       8.4018      0.00000
     22       9.1130      0.00000
     23      11.3524      0.00000
     24      12.7934      0.00000
     25      13.3285      0.00000
     26      14.5968      0.00000
     27      16.4497      0.00000
     28      18.9978      0.00000
     29      20.2326      0.00000
     30      20.6673      0.00000
     31      23.6028      0.00000
     32      25.0653      0.00000
     33      25.7682      0.00000
     34      26.4306      0.00000
     35      27.5917      0.00000
     36      28.1463      0.00000
     37      28.4097      0.00000
     38      28.8750      0.00000
     39      29.7127      0.00000
     40      31.8238      0.00000

 k-point  11 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1     -16.2926      2.00000
      2     -16.1045      2.00000
      3      -4.8225      2.00000
      4      -4.5507      2.00000
      5      -4.4479      2.00000
      6      -4.0965      2.00000
      7      -4.0240      2.00000
      8      -3.9144      2.00000
      9      -3.5838      2.00000
     10      -3.4914      2.00000
     11      -3.3676      2.00000
     12      -3.3185      2.00000
     13      -2.8194      2.00000
     14      -2.5656      2.00000
     15      -1.9125      2.00000
     16      -1.4165      2.00000
     17      -0.4522      2.00000
     18      -0.0979      2.00000
     19       6.6249      0.00000
     20       7.8366      0.00000
     21       8.4154      0.00000
     22       9.0215      0.00000
     23      11.2245      0.00000
     24      13.0413      0.00000
     25      13.2870      0.00000
     26      14.3752      0.00000
     27      16.4315      0.00000
     28      19.3272      0.00000
     29      20.1410      0.00000
     30      20.8218      0.00000
     31      23.4818      0.00000
     32      25.3214      0.00000
     33      25.6382      0.00000
     34      26.0437      0.00000
     35      27.9172      0.00000
     36      28.0415      0.00000
     37      28.2802      0.00000
     38      29.4418      0.00000
     39      31.3222      0.00000
     40      31.4048      0.00000

 k-point  12 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1     -16.5286      2.00000
      2     -16.1237      2.00000
      3      -4.8134      2.00000
      4      -4.6564      2.00000
      5      -4.4382      2.00000
      6      -4.3823      2.00000
      7      -4.1217      2.00000
      8      -3.9735      2.00000
      9      -3.7241      2.00000
     10      -3.5870      2.00000
     11      -3.3985      2.00000
     12      -3.2099      2.00000
     13      -2.9459      2.00000
     14      -1.7344      2.00000
     15      -1.5924      2.00000
     16      -1.0039      2.00000
     17       0.0872      2.00000
     18       0.1525      2.00000
     19       4.8928      0.00000
     20       8.1732      0.00000
     21       9.0905      0.00000
     22       9.8585      0.00000
     23      11.5592      0.00000
     24      12.7711      0.00000
     25      12.9385      0.00000
     26      15.7226      0.00000
     27      15.9140      0.00000
     28      17.4998      0.00000
     29      21.7853      0.00000
     30      22.1088      0.00000
     31      22.1711      0.00000
     32      23.8142      0.00000
     33      25.2959      0.00000
     34      26.2594      0.00000
     35      26.2604      0.00000
     36      27.7335      0.00000
     37      28.1286      0.00000
     38      28.7201      0.00000
     39      28.9823      0.00000
     40      30.1260      0.00000

 k-point  13 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1     -16.3791      2.00000
      2     -16.1000      2.00000
      3      -4.7514      2.00000
      4      -4.6160      2.00000
      5      -4.3972      2.00000
      6      -4.2661      2.00000
      7      -3.9891      2.00000
      8      -3.8949      2.00000
      9      -3.7048      2.00000
     10      -3.5721      2.00000
     11      -3.3797      2.00000
     12      -3.1384      2.00000
     13      -2.9379      2.00000
     14      -2.1650      2.00000
     15      -1.7455      2.00000
     16      -1.6173      2.00000
     17      -0.2424      2.00000
     18      -0.1548      2.00000
     19       5.9733      0.00000
     20       8.3999      0.00000
     21       9.1491      0.00000
     22       9.2313      0.00000
     23      11.5308      0.00000
     24      12.1809      0.00000
     25      12.5039      0.00000
     26      15.0429      0.00000
     27      16.0348      0.00000
     28      18.6058      0.00000
     29      21.7129      0.00000
     30      21.9078      0.00000
     31      23.3226      0.00000
     32      24.0906      0.00000
     33      25.3953      0.00000
     34      26.2796      0.00000
     35      27.1620      0.00000
     36      27.2900      0.00000
     37      28.1855      0.00000
     38      28.6411      0.00000
     39      29.3951      0.00000
     40      31.3377      0.00000

 k-point  14 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1     -16.2691      2.00000
      2     -16.1056      2.00000
      3      -4.7456      2.00000
      4      -4.4720      2.00000
      5      -4.3425      2.00000
      6      -4.1960      2.00000
      7      -3.9412      2.00000
      8      -3.8775      2.00000
      9      -3.6144      2.00000
     10      -3.5624      2.00000
     11      -3.3623      2.00000
     12      -3.2833      2.00000
     13      -2.8597      2.00000
     14      -2.4426      2.00000
     15      -2.1535      2.00000
     16      -1.4876      2.00000
     17      -0.5812      2.00000
     18      -0.3491      2.00000
     19       6.9472      0.00000
     20       8.3856      0.00000
     21       8.5215      0.00000
     22       9.0731      0.00000
     23      11.3113      0.00000
     24      12.2851      0.00000
     25      12.9337      0.00000
     26      14.1570      0.00000
     27      15.9562      0.00000
     28      19.8217      0.00000
     29      21.1164      0.00000
     30      21.8780      0.00000
     31      23.2705      0.00000
     32      24.3428      0.00000
     33      26.1043      0.00000
     34      26.4368      0.00000
     35      27.3392      0.00000
     36      27.6808      0.00000
     37      27.9800      0.00000
     38      28.4990      0.00000
     39      29.6408      0.00000
     40      30.9038      0.00000

 k-point  15 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1     -16.2609      2.00000
      2     -16.1059      2.00000
      3      -4.6942      2.00000
      4      -4.4836      2.00000
      5      -4.2605      2.00000
      6      -4.2283      2.00000
      7      -3.8987      2.00000
      8      -3.7460      2.00000
      9      -3.7111      2.00000
     10      -3.6150      2.00000
     11      -3.3668      2.00000
     12      -3.2462      2.00000
     13      -2.9028      2.00000
     14      -2.4688      2.00000
     15      -2.1940      2.00000
     16      -1.5296      2.00000
     17      -0.5798      2.00000
     18      -0.5146      2.00000
     19       7.0578      0.00000
     20       8.4672      0.00000
     21       8.9618      0.00000
     22       9.0415      0.00000
     23      11.5434      0.00000
     24      11.7090      0.00000
     25      12.5308      0.00000
     26      14.6732      0.00000
     27      15.2456      0.00000
     28      19.7860      0.00000
     29      22.2840      0.00000
     30      22.7087      0.00000
     31      23.3070      0.00000
     32      23.8921      0.00000
     33      25.1497      0.00000
     34      26.6221      0.00000
     35      27.0100      0.00000
     36      27.3102      0.00000
     37      27.4738      0.00000
     38      28.7049      0.00000
     39      29.4597      0.00000
     40      30.7422      0.00000

 k-point  16 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1     -16.1949      2.00000
      2     -16.1299      2.00000
      3      -4.6998      2.00000
      4      -4.3913      2.00000
      5      -4.2736      2.00000
      6      -4.0249      2.00000
      7      -3.8324      2.00000
      8      -3.7936      2.00000
      9      -3.6483      2.00000
     10      -3.5712      2.00000
     11      -3.4337      2.00000
     12      -3.4151      2.00000
     13      -2.7264      2.00000
     14      -2.6761      2.00000
     15      -2.5316      2.00000
     16      -1.1962      2.00000
     17      -0.8584      2.00000
     18      -0.6866      2.00000
     19       7.8252      0.00000
     20       8.4483      0.00000
     21       8.5290      0.00000
     22       8.9463      0.00000
     23      11.3246      0.00000
     24      11.5956      0.00000
     25      13.5656      0.00000
     26      13.7925      0.00000
     27      14.8872      0.00000
     28      21.0889      0.00000
     29      21.3240      0.00000
     30      22.6768      0.00000
     31      23.2367      0.00000
     32      24.1596      0.00000
     33      26.4436      0.00000
     34      26.5878      0.00000
     35      26.9775      0.00000
     36      27.2831      0.00000
     37      27.4991      0.00000
     38      28.0285      0.00000
     39      29.2297      0.00000
     40      29.5533      0.00000

 k-point  17 :       0.0000    0.0000    0.1667
  band No.  band energies     occupation 
      1     -16.8893      2.00000
      2     -16.3144      2.00000
      3      -4.6732      2.00000
      4      -4.6732      2.00000
      5      -4.6656      2.00000
      6      -4.6133      2.00000
      7      -4.5212      2.00000
      8      -4.5212      2.00000
      9      -3.6015      2.00000
     10      -3.6015      2.00000
     11      -3.4333      2.00000
     12      -3.4333      2.00000
     13      -2.8364      2.00000
     14       0.1277      2.00000
     15       0.1277      2.00000
     16       0.1859      2.00000
     17       0.7740      2.00000
     18       0.7740      2.00000
     19       2.1986      0.00000
     20       5.6418      0.00000
     21       9.1197      0.00000
     22      13.4621      0.00000
     23      13.4621      0.00000
     24      13.7227      0.00000
     25      14.4743      0.00000
     26      14.4743      0.00000
     27      17.4609      0.00000
     28      19.0635      0.00000
     29      19.0635      0.00000
     30      20.1701      0.00000
     31      20.7771      0.00000
     32      20.7771      0.00000
     33      22.5770      0.00000
     34      23.4615      0.00000
     35      24.9580      0.00000
     36      24.9580      0.00000
     37      28.2104      0.00000
     38      28.2104      0.00000
     39      28.3384      0.00000
     40      28.4066      0.00000

 k-point  18 :       0.0909    0.0000    0.1667
  band No.  band energies     occupation 
      1     -16.8489      2.00000
      2     -16.2941      2.00000
      3      -4.7447      2.00000
      4      -4.6473      2.00000
      5      -4.6258      2.00000
      6      -4.5951      2.00000
      7      -4.4868      2.00000
      8      -4.4838      2.00000
      9      -3.6154      2.00000
     10      -3.6041      2.00000
     11      -3.4305      2.00000
     12      -3.4140      2.00000
     13      -2.8189      2.00000
     14      -0.1781      2.00000
     15      -0.0271      2.00000
     16       0.0254      2.00000
     17       0.6457      2.00000
     18       0.7143      2.00000
     19       2.6082      0.00000
     20       5.9542      0.00000
     21       9.1237      0.00000
     22      12.6545      0.00000
     23      13.5379      0.00000
     24      13.6972      0.00000
     25      13.9756      0.00000
     26      14.5579      0.00000
     27      17.4042      0.00000
     28      18.6361      0.00000
     29      19.1035      0.00000
     30      20.3763      0.00000
     31      21.3404      0.00000
     32      21.6566      0.00000
     33      22.9735      0.00000
     34      24.2238      0.00000
     35      24.9418      0.00000
     36      25.0379      0.00000
     37      27.4890      0.00000
     38      28.2188      0.00000
     39      28.8398      0.00000
     40      28.9902      0.00000

 k-point  19 :       0.1818    0.0000    0.1667
  band No.  band energies     occupation 
      1     -16.7372      2.00000
      2     -16.2413      2.00000
      3      -4.8480      2.00000
      4      -4.6402      2.00000
      5      -4.5803      2.00000
      6      -4.5114      2.00000
      7      -4.3892      2.00000
      8      -4.3603      2.00000
      9      -3.6490      2.00000
     10      -3.6019      2.00000
     11      -3.4241      2.00000
     12      -3.3664      2.00000
     13      -2.7599      2.00000
     14      -0.8994      2.00000
     15      -0.5259      2.00000
     16      -0.2474      2.00000
     17       0.4734      2.00000
     18       0.5491      2.00000
     19       3.4412      0.00000
     20       6.6750      0.00000
     21       9.1249      0.00000
     22      11.2859      0.00000
     23      12.7837      0.00000
     24      13.7386      0.00000
     25      13.8251      0.00000
     26      14.6469      0.00000
     27      16.3517      0.00000
     28      18.4390      0.00000
     29      19.2157      0.00000
     30      21.6003      0.00000
     31      22.3390      0.00000
     32      23.2741      0.00000
     33      23.8393      0.00000
     34      24.2115      0.00000
     35      25.3391      0.00000
     36      26.6515      0.00000
     37      27.4966      0.00000
     38      28.1803      0.00000
     39      28.6885      0.00000
     40      30.0968      0.00000

 k-point  20 :       0.2727    0.0000    0.1667
  band No.  band energies     occupation 
      1     -16.5809      2.00000
      2     -16.1773      2.00000
      3      -4.9336      2.00000
      4      -4.6672      2.00000
      5      -4.5015      2.00000
      6      -4.3935      2.00000
      7      -4.2466      2.00000
      8      -4.1881      2.00000
      9      -3.6746      2.00000
     10      -3.5761      2.00000
     11      -3.4159      2.00000
     12      -3.3162      2.00000
     13      -2.6707      2.00000
     14      -1.6792      2.00000
     15      -1.0998      2.00000
     16      -0.6085      2.00000
     17       0.2571      2.00000
     18       0.3223      2.00000
     19       4.3988      0.00000
     20       7.3858      0.00000
     21       9.0748      0.00000
     22      10.0942      0.00000
     23      11.9373      0.00000
     24      13.4587      0.00000
     25      13.9583      0.00000
     26      14.5664      0.00000
     27      15.7982      0.00000
     28      19.0105      0.00000
     29      19.0280      0.00000
     30      21.3383      0.00000
     31      22.9841      0.00000
     32      24.8002      0.00000
     33      24.8664      0.00000
     34      26.0653      0.00000
     35      26.1075      0.00000
     36      27.3164      0.00000
     37      27.9880      0.00000
     38      28.4365      0.00000
     39      29.0164      0.00000
     40      30.1176      0.00000

 k-point  21 :       0.3636    0.0000    0.1667
  band No.  band energies     occupation 
      1     -16.4209      2.00000
      2     -16.1297      2.00000
      3      -4.9517      2.00000
      4      -4.6952      2.00000
      5      -4.4421      2.00000
      6      -4.2489      2.00000
      7      -4.0970      2.00000
      8      -4.0743      2.00000
      9      -3.6274      2.00000
     10      -3.5215      2.00000
     11      -3.4054      2.00000
     12      -3.2678      2.00000
     13      -2.7558      2.00000
     14      -2.2142      2.00000
     15      -1.5321      2.00000
     16      -0.9554      2.00000
     17      -0.0164      2.00000
     18       0.1028      2.00000
     19       5.3541      0.00000
     20       7.7116      0.00000
     21       8.8699      0.00000
     22       9.3111      0.00000
     23      11.4491      0.00000
     24      13.1437      0.00000
     25      13.9893      0.00000
     26      14.5484      0.00000
     27      15.6657      0.00000
     28      19.0240      0.00000
     29      20.0852      0.00000
     30      20.8149      0.00000
     31      22.5209      0.00000
     32      25.3426      0.00000
     33      25.8925      0.00000
     34      26.8295      0.00000
     35      27.0963      0.00000
     36      27.8238      0.00000
     37      28.4017      0.00000
     38      29.8931      0.00000
     39      30.1816      0.00000
     40      30.2905      0.00000

 k-point  22 :       0.4545    0.0000    0.1667
  band No.  band energies     occupation 
      1     -16.3094      2.00000
      2     -16.1154      2.00000
      3      -4.9108      2.00000
      4      -4.7246      2.00000
      5      -4.4141      2.00000
      6      -4.1146      2.00000
      7      -4.0682      2.00000
      8      -3.9989      2.00000
      9      -3.5327      2.00000
     10      -3.4687      2.00000
     11      -3.3966      2.00000
     12      -3.2776      2.00000
     13      -2.9194      2.00000
     14      -2.5509      2.00000
     15      -1.5942      2.00000
     16      -1.1752      2.00000
     17      -0.2529      2.00000
     18      -0.0337      2.00000
     19       6.1283      0.00000
     20       7.5424      0.00000
     21       8.5824      0.00000
     22       9.0736      0.00000
     23      11.1887      0.00000
     24      13.1820      0.00000
     25      13.8968      0.00000
     26      14.6300      0.00000
     27      15.5916      0.00000
     28      19.0661      0.00000
     29      20.6432      0.00000
     30      21.0435      0.00000
     31      22.1406      0.00000
     32      25.0438      0.00000
     33      26.4342      0.00000
     34      26.6648      0.00000
     35      26.9589      0.00000
     36      27.9128      0.00000
     37      29.0674      0.00000
     38      29.8144      0.00000
     39      31.3152      0.00000
     40      32.7145      0.00000

 k-point  23 :       0.0909    0.0909    0.1667
  band No.  band energies     occupation 
      1     -16.7728      2.00000
      2     -16.2576      2.00000
      3      -4.8058      2.00000
      4      -4.6606      2.00000
      5      -4.5664      2.00000
      6      -4.5660      2.00000
      7      -4.4153      2.00000
      8      -4.3999      2.00000
      9      -3.6371      2.00000
     10      -3.6059      2.00000
     11      -3.4267      2.00000
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     14      -0.5811      2.00000
     15      -0.5200      2.00000
     16      -0.1211      2.00000
     17       0.5293      2.00000
     18       0.5776      2.00000
     19       3.2067      0.00000
     20       6.4720      0.00000
     21       9.1307      0.00000
     22      11.7011      0.00000
     23      13.0560      0.00000
     24      13.5937      0.00000
     25      13.7113      0.00000
     26      14.7832      0.00000
     27      17.2152      0.00000
     28      17.3121      0.00000
     29      20.5005      0.00000
     30      20.6439      0.00000
     31      22.3341      0.00000
     32      22.4949      0.00000
     33      23.5396      0.00000
     34      23.8994      0.00000
     35      25.4045      0.00000
     36      26.5000      0.00000
     37      27.1967      0.00000
     38      28.1614      0.00000
     39      28.8495      0.00000
     40      29.6218      0.00000

 k-point  24 :       0.1818    0.0909    0.1667
  band No.  band energies     occupation 
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      2     -16.1993      2.00000
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     11      -3.4201      2.00000
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     14      -1.2956      2.00000
     15      -1.0006      2.00000
     16      -0.5020      2.00000
     17       0.3331      2.00000
     18       0.3626      2.00000
     19       4.0900      0.00000
     20       7.2023      0.00000
     21       9.1370      0.00000
     22      10.5806      0.00000
     23      12.2468      0.00000
     24      13.1504      0.00000
     25      13.6148      0.00000
     26      15.0699      0.00000
     27      16.2409      0.00000
     28      17.6400      0.00000
     29      20.2002      0.00000
     30      22.1513      0.00000
     31      22.5767      0.00000
     32      23.6109      0.00000
     33      24.1916      0.00000
     34      24.9792      0.00000
     35      26.1877      0.00000
     36      27.4868      0.00000
     37      27.9227      0.00000
     38      28.3912      0.00000
     39      28.7240      0.00000
     40      29.9544      0.00000

 k-point  25 :       0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1     -16.4795      2.00000
      2     -16.1440      2.00000
      3      -4.9138      2.00000
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     10      -3.5442      2.00000
     11      -3.4086      2.00000
     12      -3.2783      2.00000
     13      -2.6622      2.00000
     14      -1.9553      2.00000
     15      -1.4158      2.00000
     16      -0.9579      2.00000
     17       0.0640      2.00000
     18       0.1251      2.00000
     19       5.0679      0.00000
     20       7.7469      0.00000
     21       9.0768      0.00000
     22       9.6368      0.00000
     23      11.6579      0.00000
     24      12.7970      0.00000
     25      13.3933      0.00000
     26      14.9529      0.00000
     27      16.0949      0.00000
     28      18.3542      0.00000
     29      20.0624      0.00000
     30      21.7567      0.00000
     31      22.8697      0.00000
     32      24.3176      0.00000
     33      25.5410      0.00000
     34      26.0894      0.00000
     35      27.4032      0.00000
     36      27.6587      0.00000
     37      28.1460      0.00000
     38      28.9968      0.00000
     39      29.5374      0.00000
     40      30.4298      0.00000

 k-point  26 :       0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1     -16.3400      2.00000
      2     -16.1162      2.00000
      3      -4.8888      2.00000
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     10      -3.4964      2.00000
     11      -3.3915      2.00000
     12      -3.2236      2.00000
     13      -2.8919      2.00000
     14      -2.3489      2.00000
     15      -1.6169      2.00000
     16      -1.2527      2.00000
     17      -0.2136      2.00000
     18      -0.0897      2.00000
     19       5.9937      0.00000
     20       7.8520      0.00000
     21       8.7685      0.00000
     22       9.1559      0.00000
     23      11.2455      0.00000
     24      12.8918      0.00000
     25      13.2887      0.00000
     26      14.6701      0.00000
     27      16.1211      0.00000
     28      19.0038      0.00000
     29      20.2141      0.00000
     30      21.6051      0.00000
     31      22.4361      0.00000
     32      24.9946      0.00000
     33      25.7222      0.00000
     34      26.7355      0.00000
     35      27.1922      0.00000
     36      27.9670      0.00000
     37      28.7275      0.00000
     38      29.6861      0.00000
     39      30.1443      0.00000
     40      31.8710      0.00000

 k-point  27 :       0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1     -16.2781      2.00000
      2     -16.1150      2.00000
      3      -4.8609      2.00000
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     10      -3.4846      2.00000
     11      -3.3694      2.00000
     12      -3.3121      2.00000
     13      -2.8626      2.00000
     14      -2.6221      2.00000
     15      -1.6690      2.00000
     16      -1.2706      2.00000
     17      -0.3738      2.00000
     18      -0.1691      2.00000
     19       6.5046      0.00000
     20       7.6762      0.00000
     21       8.5613      0.00000
     22       9.0754      0.00000
     23      11.0791      0.00000
     24      12.9267      0.00000
     25      13.4706      0.00000
     26      14.4613      0.00000
     27      16.0983      0.00000
     28      19.2826      0.00000
     29      20.2999      0.00000
     30      21.6381      0.00000
     31      22.2384      0.00000
     32      25.2959      0.00000
     33      25.5221      0.00000
     34      26.4898      0.00000
     35      27.6549      0.00000
     36      27.7519      0.00000
     37      28.8966      0.00000
     38      29.7352      0.00000
     39      31.5011      0.00000
     40      31.7937      0.00000

 k-point  28 :       0.1818    0.1818    0.1667
  band No.  band energies     occupation 
      1     -16.5008      2.00000
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     10      -3.5521      2.00000
     11      -3.4098      2.00000
     12      -3.2773      2.00000
     13      -2.6387      2.00000
     14      -1.6150      2.00000
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     16      -0.9928      2.00000
     17       0.0033      2.00000
     18       0.1632      2.00000
     19       5.0060      0.00000
     20       7.7827      0.00000
     21       9.1991      0.00000
     22       9.9101      0.00000
     23      11.8149      0.00000
     24      12.4284      0.00000
     25      12.8570      0.00000
     26      15.7108      0.00000
     27      16.0608      0.00000
     28      17.5962      0.00000
     29      20.9577      0.00000
     30      22.6612      0.00000
     31      23.0485      0.00000
     32      23.0815      0.00000
     33      24.5251      0.00000
     34      26.2876      0.00000
     35      27.1307      0.00000
     36      27.4157      0.00000
     37      28.2692      0.00000
     38      29.0675      0.00000
     39      29.3001      0.00000
     40      30.6615      0.00000

 k-point  29 :       0.2727    0.1818    0.1667
  band No.  band energies     occupation 
      1     -16.3589      2.00000
      2     -16.1169      2.00000
      3      -4.7883      2.00000
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     11      -3.3869      2.00000
     12      -3.1967      2.00000
     13      -2.7895      2.00000
     14      -2.1195      2.00000
     15      -1.6104      2.00000
     16      -1.5136      2.00000
     17      -0.3263      2.00000
     18      -0.1032      2.00000
     19       6.0212      0.00000
     20       8.1131      0.00000
     21       9.1730      0.00000
     22       9.3151      0.00000
     23      11.3534      0.00000
     24      12.0493      0.00000
     25      12.6537      0.00000
     26      15.3104      0.00000
     27      16.1625      0.00000
     28      18.3403      0.00000
     29      21.0655      0.00000
     30      22.5493      0.00000
     31      23.1006      0.00000
     32      23.5121      0.00000
     33      25.3857      0.00000
     34      26.4095      0.00000
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     36      27.7919      0.00000
     37      28.7163      0.00000
     38      29.3116      0.00000
     39      29.6775      0.00000
     40      31.3359      0.00000

 k-point  30 :       0.3636    0.1818    0.1667
  band No.  band energies     occupation 
      1     -16.2561      2.00000
      2     -16.1144      2.00000
      3      -4.7672      2.00000
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     11      -3.3559      2.00000
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     13      -2.8845      2.00000
     14      -2.4790      2.00000
     15      -2.0058      2.00000
     16      -1.2759      2.00000
     17      -0.5896      2.00000
     18      -0.3350      2.00000
     19       6.9085      0.00000
     20       8.1646      0.00000
     21       8.7001      0.00000
     22       9.1342      0.00000
     23      10.9149      0.00000
     24      11.9307      0.00000
     25      13.3254      0.00000
     26      14.5059      0.00000
     27      16.1931      0.00000
     28      19.3529      0.00000
     29      20.5084      0.00000
     30      22.5191      0.00000
     31      22.8573      0.00000
     32      23.8840      0.00000
     33      26.1063      0.00000
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     35      27.1692      0.00000
     36      28.2831      0.00000
     37      28.6257      0.00000
     38      29.4046      0.00000
     39      29.6123      0.00000
     40      31.3353      0.00000

 k-point  31 :       0.2727    0.2727    0.1667
  band No.  band energies     occupation 
      1     -16.2485      2.00000
      2     -16.1141      2.00000
      3      -4.6869      2.00000
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     10      -3.5251      2.00000
     11      -3.3599      2.00000
     12      -3.1847      2.00000
     13      -2.8909      2.00000
     14      -2.4199      2.00000
     15      -2.1691      2.00000
     16      -1.3078      2.00000
     17      -0.6843      2.00000
     18      -0.4011      2.00000
     19       7.0832      0.00000
     20       8.3393      0.00000
     21       9.0626      0.00000
     22       9.0701      0.00000
     23      10.9125      0.00000
     24      11.3174      0.00000
     25      13.1170      0.00000
     26      15.1030      0.00000
     27      15.6248      0.00000
     28      19.1793      0.00000
     29      21.7020      0.00000
     30      21.8457      0.00000
     31      23.3710      0.00000
     32      24.1781      0.00000
     33      25.6063      0.00000
     34      25.9678      0.00000
     35      27.3790      0.00000
     36      27.8484      0.00000
     37      28.6902      0.00000
     38      29.1124      0.00000
     39      29.3631      0.00000
     40      31.1593      0.00000

 k-point  32 :       0.3636    0.2727    0.1667
  band No.  band energies     occupation 
      1     -16.1882      2.00000
      2     -16.1319      2.00000
      3      -4.6819      2.00000
      4      -4.4524      2.00000
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     10      -3.5548      2.00000
     11      -3.3588      2.00000
     12      -3.3185      2.00000
     13      -2.7680      2.00000
     14      -2.5837      2.00000
     15      -2.5003      2.00000
     16      -0.9985      2.00000
     17      -0.9040      2.00000
     18      -0.6151      2.00000
     19       7.8239      0.00000
     20       8.4415      0.00000
     21       8.6052      0.00000
     22       8.9833      0.00000
     23      10.7052      0.00000
     24      11.1091      0.00000
     25      13.8999      0.00000
     26      14.4337      0.00000
     27      15.3916      0.00000
     28      20.1019      0.00000
     29      20.7782      0.00000
     30      21.9888      0.00000
     31      23.4613      0.00000
     32      24.3804      0.00000
     33      26.0063      0.00000
     34      26.2890      0.00000
     35      27.4517      0.00000
     36      28.3279      0.00000
     37      28.8301      0.00000
     38      28.8721      0.00000
     39      29.1496      0.00000
     40      29.3412      0.00000

 k-point  33 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
      1     -16.7719      2.00000
      2     -16.4400      2.00000
      3      -4.7875      2.00000
      4      -4.7639      2.00000
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     10      -3.5562      2.00000
     11      -3.4583      2.00000
     12      -3.4583      2.00000
     13      -2.1572      2.00000
     14      -0.5936      2.00000
     15       0.2667      2.00000
     16       0.2667      2.00000
     17       0.6400      2.00000
     18       0.6400      2.00000
     19       3.1850      0.00000
     20       5.0386      0.00000
     21       9.7222      0.00000
     22      12.1416      0.00000
     23      13.5303      0.00000
     24      13.5303      0.00000
     25      14.0894      0.00000
     26      14.0894      0.00000
     27      18.0142      0.00000
     28      19.5460      0.00000
     29      19.8111      0.00000
     30      19.8111      0.00000
     31      21.1670      0.00000
     32      21.1670      0.00000
     33      23.8906      0.00000
     34      24.6711      0.00000
     35      24.6711      0.00000
     36      24.7231      0.00000
     37      26.9572      0.00000
     38      26.9572      0.00000
     39      27.4388      0.00000
     40      29.4486      0.00000

 k-point  34 :       0.0909    0.0000    0.3333
  band No.  band energies     occupation 
      1     -16.7352      2.00000
      2     -16.4149      2.00000
      3      -4.8142      2.00000
      4      -4.7973      2.00000
      5      -4.6248      2.00000
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     10      -3.5585      2.00000
     11      -3.4577      2.00000
     12      -3.4499      2.00000
     13      -2.1346      2.00000
     14      -0.6778      2.00000
     15       0.0129      2.00000
     16       0.1738      2.00000
     17       0.4730      2.00000
     18       0.5716      2.00000
     19       3.4670      0.00000
     20       5.3104      0.00000
     21       9.7210      0.00000
     22      12.0407      0.00000
     23      12.9538      0.00000
     24      13.5872      0.00000
     25      13.6051      0.00000
     26      14.1586      0.00000
     27      18.1682      0.00000
     28      19.4188      0.00000
     29      19.5878      0.00000
     30      20.2245      0.00000
     31      21.4310      0.00000
     32      21.6352      0.00000
     33      23.9189      0.00000
     34      24.5020      0.00000
     35      24.8660      0.00000
     36      25.4303      0.00000
     37      26.8436      0.00000
     38      27.0894      0.00000
     39      28.2594      0.00000
     40      29.9189      0.00000

 k-point  35 :       0.1818    0.0000    0.3333
  band No.  band energies     occupation 
      1     -16.6342      2.00000
      2     -16.3479      2.00000
      3      -4.9066      2.00000
      4      -4.8263      2.00000
      5      -4.5510      2.00000
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      8      -4.4417      2.00000
      9      -3.5779      2.00000
     10      -3.5586      2.00000
     11      -3.4557      2.00000
     12      -3.4261      2.00000
     13      -2.0942      2.00000
     14      -1.0170      2.00000
     15      -0.5347      2.00000
     16      -0.0745      2.00000
     17       0.2120      2.00000
     18       0.3848      2.00000
     19       4.1107      0.00000
     20       5.9268      0.00000
     21       9.6743      0.00000
     22      11.2280      0.00000
     23      12.3598      0.00000
     24      12.9509      0.00000
     25      13.7947      0.00000
     26      14.2808      0.00000
     27      17.1356      0.00000
     28      19.0119      0.00000
     29      19.5362      0.00000
     30      21.7478      0.00000
     31      22.4318      0.00000
     32      22.8314      0.00000
     33      23.5957      0.00000
     34      24.2087      0.00000
     35      25.5220      0.00000
     36      27.0918      0.00000
     37      27.3575      0.00000
     38      27.9443      0.00000
     39      28.8510      0.00000
     40      30.2045      0.00000

 k-point  36 :       0.2727    0.0000    0.3333
  band No.  band energies     occupation 
      1     -16.4953      2.00000
      2     -16.2620      2.00000
      3      -4.9847      2.00000
      4      -4.8581      2.00000
      5      -4.4585      2.00000
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      7      -4.3303      2.00000
      8      -4.3126      2.00000
      9      -3.5817      2.00000
     10      -3.5414      2.00000
     11      -3.4494      2.00000
     12      -3.3915      2.00000
     13      -2.1723      2.00000
     14      -1.6005      2.00000
     15      -0.9940      2.00000
     16      -0.4034      2.00000
     17       0.0480      2.00000
     18       0.1323      2.00000
     19       4.8662      0.00000
     20       6.5454      0.00000
     21       9.4824      0.00000
     22      10.1680      0.00000
     23      11.8383      0.00000
     24      12.8877      0.00000
     25      13.9968      0.00000
     26      14.3381      0.00000
     27      16.0880      0.00000
     28      18.5199      0.00000
     29      20.0463      0.00000
     30      22.2437      0.00000
     31      22.5615      0.00000
     32      23.2483      0.00000
     33      24.9926      0.00000
     34      25.6313      0.00000
     35      26.5124      0.00000
     36      27.5182      0.00000
     37      28.3894      0.00000
     38      28.6398      0.00000
     39      29.2005      0.00000
     40      31.1751      0.00000

 k-point  37 :       0.3636    0.0000    0.3333
  band No.  band energies     occupation 
      1     -16.3569      2.00000
      2     -16.1886      2.00000
      3      -5.0100      2.00000
      4      -4.8835      2.00000
      5      -4.3816      2.00000
      6      -4.2820      2.00000
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      8      -4.1841      2.00000
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     10      -3.5008      2.00000
     11      -3.4357      2.00000
     12      -3.3503      2.00000
     13      -2.5497      2.00000
     14      -2.1821      2.00000
     15      -1.0979      2.00000
     16      -0.7169      2.00000
     17      -0.1099      2.00000
     18      -0.0846      2.00000
     19       5.5849      0.00000
     20       6.9230      0.00000
     21       9.1759      0.00000
     22       9.3991      0.00000
     23      11.5188      0.00000
     24      12.8972      0.00000
     25      14.0665      0.00000
     26      14.3924      0.00000
     27      15.5539      0.00000
     28      18.3277      0.00000
     29      21.0007      0.00000
     30      21.9372      0.00000
     31      22.0716      0.00000
     32      24.1363      0.00000
     33      25.3938      0.00000
     34      26.7540      0.00000
     35      27.0799      0.00000
     36      27.5383      0.00000
     37      29.1869      0.00000
     38      29.7484      0.00000
     39      30.8898      0.00000
     40      31.5894      0.00000

 k-point  38 :       0.4545    0.0000    0.3333
  band No.  band energies     occupation 
      1     -16.2647      2.00000
      2     -16.1525      2.00000
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     10      -3.4480      2.00000
     11      -3.4217      2.00000
     12      -3.3154      2.00000
     13      -2.8788      2.00000
     14      -2.6514      2.00000
     15      -1.0102      2.00000
     16      -0.9127      2.00000
     17      -0.2601      2.00000
     18      -0.1996      2.00000
     19       6.0997      0.00000
     20       7.0057      0.00000
     21       8.8559      0.00000
     22       9.1197      0.00000
     23      11.3113      0.00000
     24      12.9042      0.00000
     25      14.0357      0.00000
     26      14.4596      0.00000
     27      15.4330      0.00000
     28      18.3847      0.00000
     29      21.4699      0.00000
     30      21.8914      0.00000
     31      22.0186      0.00000
     32      24.9117      0.00000
     33      24.9529      0.00000
     34      26.6599      0.00000
     35      26.7882      0.00000
     36      27.4707      0.00000
     37      30.0883      0.00000
     38      30.7906      0.00000
     39      31.9623      0.00000
     40      32.4736      0.00000

 k-point  39 :       0.0909    0.0909    0.3333
  band No.  band energies     occupation 
      1     -16.6663      2.00000
      2     -16.3688      2.00000
      3      -4.8705      2.00000
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      9      -3.5729      2.00000
     10      -3.5605      2.00000
     11      -3.4571      2.00000
     12      -3.4328      2.00000
     13      -2.1015      2.00000
     14      -0.8839      2.00000
     15      -0.3746      2.00000
     16      -0.0193      2.00000
     17       0.2927      2.00000
     18       0.4183      2.00000
     19       3.9266      0.00000
     20       5.7548      0.00000
     21       9.7017      0.00000
     22      11.5495      0.00000
     23      12.5715      0.00000
     24      12.9189      0.00000
     25      13.6683      0.00000
     26      14.2838      0.00000
     27      18.0720      0.00000
     28      18.2246      0.00000
     29      19.9914      0.00000
     30      21.1576      0.00000
     31      22.0102      0.00000
     32      22.7304      0.00000
     33      23.8703      0.00000
     34      23.9634      0.00000
     35      25.3309      0.00000
     36      26.5659      0.00000
     37      27.2865      0.00000
     38      27.5607      0.00000
     39      28.7798      0.00000
     40      30.3181      0.00000

 k-point  40 :       0.1818    0.0909    0.3333
  band No.  band energies     occupation 
      1     -16.5462      2.00000
      2     -16.2924      2.00000
      3      -4.9382      2.00000
      4      -4.8423      2.00000
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      7      -4.3767      2.00000
      8      -4.3443      2.00000
      9      -3.5819      2.00000
     10      -3.5501      2.00000
     11      -3.4528      2.00000
     12      -3.4013      2.00000
     13      -2.1051      2.00000
     14      -1.3343      2.00000
     15      -0.8554      2.00000
     16      -0.3595      2.00000
     17       0.1110      2.00000
     18       0.1662      2.00000
     19       4.6352      0.00000
     20       6.3851      0.00000
     21       9.6013      0.00000
     22      10.6080      0.00000
     23      12.0966      0.00000
     24      12.5457      0.00000
     25      13.6231      0.00000
     26      14.5016      0.00000
     27      16.9773      0.00000
     28      18.3323      0.00000
     29      19.8318      0.00000
     30      21.8126      0.00000
     31      22.8329      0.00000
     32      23.2432      0.00000
     33      24.7014      0.00000
     34      25.2015      0.00000
     35      25.8725      0.00000
     36      26.9717      0.00000
     37      28.2585      0.00000
     38      28.4456      0.00000
     39      29.1464      0.00000
     40      30.3711      0.00000

 k-point  41 :       0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1     -16.4069      2.00000
      2     -16.2129      2.00000
      3      -4.9725      2.00000
      4      -4.8507      2.00000
      5      -4.4367      2.00000
      6      -4.3591      2.00000
      7      -4.2667      2.00000
      8      -4.2163      2.00000
      9      -3.5722      2.00000
     10      -3.5132      2.00000
     11      -3.4374      2.00000
     12      -3.3593      2.00000
     13      -2.3406      2.00000
     14      -1.9055      2.00000
     15      -1.0940      2.00000
     16      -0.7360      2.00000
     17      -0.1508      2.00000
     18       0.0046      2.00000
     19       5.4123      0.00000
     20       6.9192      0.00000
     21       9.3671      0.00000
     22       9.7436      0.00000
     23      11.5848      0.00000
     24      12.4528      0.00000
     25      13.6145      0.00000
     26      14.6853      0.00000
     27      16.2813      0.00000
     28      18.3354      0.00000
     29      20.1443      0.00000
     30      22.0081      0.00000
     31      22.8584      0.00000
     32      23.3778      0.00000
     33      25.7839      0.00000
     34      26.3741      0.00000
     35      26.8378      0.00000
     36      27.3919      0.00000
     37      28.9166      0.00000
     38      29.4033      0.00000
     39      30.0373      0.00000
     40      30.8191      0.00000

 k-point  42 :       0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1     -16.2894      2.00000
      2     -16.1599      2.00000
      3      -4.9589      2.00000
      4      -4.8530      2.00000
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      6      -4.2300      2.00000
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      8      -4.1223      2.00000
      9      -3.5243      2.00000
     10      -3.4718      2.00000
     11      -3.4045      2.00000
     12      -3.3016      2.00000
     13      -2.7523      2.00000
     14      -2.4266      2.00000
     15      -1.1573      2.00000
     16      -0.9063      2.00000
     17      -0.3851      2.00000
     18      -0.1304      2.00000
     19       6.1016      0.00000
     20       7.1909      0.00000
     21       9.0349      0.00000
     22       9.2283      0.00000
     23      11.2001      0.00000
     24      12.3483      0.00000
     25      13.8641      0.00000
     26      14.6726      0.00000
     27      16.0135      0.00000
     28      18.3082      0.00000
     29      20.7975      0.00000
     30      21.8886      0.00000
     31      22.6169      0.00000
     32      23.7996      0.00000
     33      25.6967      0.00000
     34      26.6070      0.00000
     35      27.1347      0.00000
     36      27.6460      0.00000
     37      29.8000      0.00000
     38      30.5182      0.00000
     39      31.2232      0.00000
     40      31.9895      0.00000

 k-point  43 :       0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1     -16.2396      2.00000
      2     -16.1453      2.00000
      3      -4.9392      2.00000
      4      -4.8563      2.00000
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     10      -3.4725      2.00000
     11      -3.3465      2.00000
     12      -3.3031      2.00000
     13      -2.8852      2.00000
     14      -2.7351      2.00000
     15      -1.2392      2.00000
     16      -0.8486      2.00000
     17      -0.4898      2.00000
     18      -0.2024      2.00000
     19       6.4285      0.00000
     20       7.2303      0.00000
     21       8.8156      0.00000
     22       9.1197      0.00000
     23      11.0400      0.00000
     24      12.2894      0.00000
     25      14.1158      0.00000
     26      14.5565      0.00000
     27      15.9430      0.00000
     28      18.3700      0.00000
     29      21.0789      0.00000
     30      21.7399      0.00000
     31      22.5679      0.00000
     32      23.9633      0.00000
     33      25.6835      0.00000
     34      26.4909      0.00000
     35      27.2489      0.00000
     36      27.6231      0.00000
     37      29.9739      0.00000
     38      30.8475      0.00000
     39      31.6798      0.00000
     40      32.3865      0.00000

 k-point  44 :       0.1818    0.1818    0.3333
  band No.  band energies     occupation 
      1     -16.4253      2.00000
      2     -16.2224      2.00000
      3      -4.9234      2.00000
      4      -4.8340      2.00000
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      9      -3.5788      2.00000
     10      -3.5162      2.00000
     11      -3.4368      2.00000
     12      -3.3585      2.00000
     13      -2.2481      2.00000
     14      -1.7466      2.00000
     15      -1.0649      2.00000
     16      -0.8441      2.00000
     17      -0.2201      2.00000
     18       0.0325      2.00000
     19       5.3969      0.00000
     20       6.9600      0.00000
     21       9.4845      0.00000
     22       9.9863      0.00000
     23      11.8164      0.00000
     24      11.8207      0.00000
     25      13.2639      0.00000
     26      14.9971      0.00000
     27      16.9017      0.00000
     28      18.0111      0.00000
     29      20.3151      0.00000
     30      21.1566      0.00000
     31      23.3057      0.00000
     32      23.8703      0.00000
     33      25.2212      0.00000
     34      26.1014      0.00000
     35      26.9302      0.00000
     36      27.3987      0.00000
     37      28.5040      0.00000
     38      29.7165      0.00000
     39      29.8068      0.00000
     40      30.2470      0.00000

 k-point  45 :       0.2727    0.1818    0.3333
  band No.  band energies     occupation 
      1     -16.3047      2.00000
      2     -16.1647      2.00000
      3      -4.8698      2.00000
      4      -4.7904      2.00000
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      9      -3.5648      2.00000
     10      -3.4807      2.00000
     11      -3.3938      2.00000
     12      -3.2836      2.00000
     13      -2.5786      2.00000
     14      -2.2057      2.00000
     15      -1.3502      2.00000
     16      -1.0141      2.00000
     17      -0.5625      2.00000
     18      -0.0956      2.00000
     19       6.2440      0.00000
     20       7.4548      0.00000
     21       9.3051      0.00000
     22       9.4405      0.00000
     23      11.0125      0.00000
     24      11.4701      0.00000
     25      13.5117      0.00000
     26      15.3764      0.00000
     27      16.4971      0.00000
     28      18.0907      0.00000
     29      20.4585      0.00000
     30      21.4513      0.00000
     31      23.2297      0.00000
     32      23.8706      0.00000
     33      25.6945      0.00000
     34      25.8837      0.00000
     35      27.3213      0.00000
     36      28.1125      0.00000
     37      29.6795      0.00000
     38      29.9488      0.00000
     39      31.3125      0.00000
     40      31.5852      0.00000

 k-point  46 :       0.3636    0.1818    0.3333
  band No.  band energies     occupation 
      1     -16.2220      2.00000
      2     -16.1401      2.00000
      3      -4.8294      2.00000
      4      -4.7293      2.00000
      5      -4.4231      2.00000
      6      -4.2292      2.00000
      7      -4.0691      2.00000
      8      -4.0660      2.00000
      9      -3.5398      2.00000
     10      -3.4981      2.00000
     11      -3.3170      2.00000
     12      -3.2214      2.00000
     13      -2.8528      2.00000
     14      -2.6007      2.00000
     15      -1.6579      2.00000
     16      -0.8982      2.00000
     17      -0.7337      2.00000
     18      -0.2307      2.00000
     19       6.9401      0.00000
     20       7.7450      0.00000
     21       8.9194      0.00000
     22       9.2136      0.00000
     23      10.4732      0.00000
     24      11.2448      0.00000
     25      14.1750      0.00000
     26      15.0701      0.00000
     27      16.4924      0.00000
     28      18.2372      0.00000
     29      20.2079      0.00000
     30      22.0200      0.00000
     31      22.9500      0.00000
     32      23.4775      0.00000
     33      25.9766      0.00000
     34      26.5008      0.00000
     35      27.3867      0.00000
     36      28.3672      0.00000
     37      29.4338      0.00000
     38      30.6098      0.00000
     39      31.2564      0.00000
     40      32.2681      0.00000

 k-point  47 :       0.2727    0.2727    0.3333
  band No.  band energies     occupation 
      1     -16.2159      2.00000
      2     -16.1381      2.00000
      3      -4.7122      2.00000
      4      -4.7096      2.00000
      5      -4.4372      2.00000
      6      -4.2985      2.00000
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      8      -4.0563      2.00000
      9      -3.5763      2.00000
     10      -3.5086      2.00000
     11      -3.3156      2.00000
     12      -3.1759      2.00000
     13      -2.7902      2.00000
     14      -2.4993      2.00000
     15      -1.8864      2.00000
     16      -1.0947      2.00000
     17      -0.7093      2.00000
     18      -0.2469      2.00000
     19       7.2177      0.00000
     20       8.0063      0.00000
     21       9.1569      0.00000
     22       9.2547      0.00000
     23      10.1738      0.00000
     24      10.6052      0.00000
     25      14.1252      0.00000
     26      15.9902      0.00000
     27      16.0471      0.00000
     28      18.0941      0.00000
     29      20.4228      0.00000
     30      21.0596      0.00000
     31      23.4768      0.00000
     32      24.1759      0.00000
     33      25.5641      0.00000
     34      26.0798      0.00000
     35      27.9387      0.00000
     36      28.2413      0.00000
     37      29.7358      0.00000
     38      29.8979      0.00000
     39      31.2162      0.00000
     40      32.5685      0.00000

 k-point  48 :       0.3636    0.2727    0.3333
  band No.  band energies     occupation 
      1     -16.1717      2.00000
      2     -16.1391      2.00000
      3      -4.6763      2.00000
      4      -4.5916      2.00000
      5      -4.5170      2.00000
      6      -4.2561      2.00000
      7      -3.9786      2.00000
      8      -3.9709      2.00000
      9      -3.6032      2.00000
     10      -3.5613      2.00000
     11      -3.2343      2.00000
     12      -3.1856      2.00000
     13      -2.8090      2.00000
     14      -2.6872      2.00000
     15      -2.1186      2.00000
     16      -1.2166      2.00000
     17      -0.5965      2.00000
     18      -0.3745      2.00000
     19       7.8943      0.00000
     20       8.3626      0.00000
     21       8.7805      0.00000
     22       9.1136      0.00000
     23       9.7920      0.00000
     24      10.2829      0.00000
     25      14.7803      0.00000
     26      15.4547      0.00000
     27      16.2473      0.00000
     28      18.2224      0.00000
     29      20.0527      0.00000
     30      20.9962      0.00000
     31      23.5810      0.00000
     32      24.1983      0.00000
     33      25.9548      0.00000
     34      26.3379      0.00000
     35      27.8588      0.00000
     36      28.2330      0.00000
     37      29.5308      0.00000
     38      30.7729      0.00000
     39      30.9304      0.00000
     40      31.2720      0.00000

 k-point  49 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.6080      2.00000
      2     -16.6080      2.00000
      3      -4.8315      2.00000
      4      -4.8315      2.00000
      5      -4.6149      2.00000
      6      -4.6149      2.00000
      7      -4.6149      2.00000
      8      -4.6149      2.00000
      9      -3.5023      2.00000
     10      -3.5023      2.00000
     11      -3.5023      2.00000
     12      -3.5023      2.00000
     13      -1.3795      2.00000
     14      -1.3795      2.00000
     15       0.4546      2.00000
     16       0.4546      2.00000
     17       0.4546      2.00000
     18       0.4546      2.00000
     19       4.1755      0.00000
     20       4.1755      0.00000
     21      10.7388      0.00000
     22      10.7388      0.00000
     23      13.7371      0.00000
     24      13.7371      0.00000
     25      13.7371      0.00000
     26      13.7371      0.00000
     27      18.7330      0.00000
     28      18.7330      0.00000
     29      20.7230      0.00000
     30      20.7230      0.00000
     31      20.7230      0.00000
     32      20.7230      0.00000
     33      24.8354      0.00000
     34      24.8354      0.00000
     35      25.4675      0.00000
     36      25.4675      0.00000
     37      25.4675      0.00000
     38      25.4675      0.00000
     39      28.7092      0.00000
     40      28.7092      0.00000

 k-point  50 :       0.0909    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.5767      2.00000
      2     -16.5767      2.00000
      3      -4.8608      2.00000
      4      -4.8608      2.00000
      5      -4.5853      2.00000
      6      -4.5853      2.00000
      7      -4.5847      2.00000
      8      -4.5847      2.00000
      9      -3.5037      2.00000
     10      -3.5037      2.00000
     11      -3.5017      2.00000
     12      -3.5017      2.00000
     13      -1.3860      2.00000
     14      -1.3860      2.00000
     15       0.2381      2.00000
     16       0.2381      2.00000
     17       0.3741      2.00000
     18       0.3741      2.00000
     19       4.4282      0.00000
     20       4.4282      0.00000
     21      10.7103      0.00000
     22      10.7103      0.00000
     23      13.2131      0.00000
     24      13.2131      0.00000
     25      13.8077      0.00000
     26      13.8077      0.00000
     27      18.8626      0.00000
     28      18.8626      0.00000
     29      20.7586      0.00000
     30      20.7586      0.00000
     31      20.9968      0.00000
     32      20.9968      0.00000
     33      24.1288      0.00000
     34      24.1288      0.00000
     35      25.7379      0.00000
     36      25.7379      0.00000
     37      26.5147      0.00000
     38      26.5147      0.00000
     39      29.2967      0.00000
     40      29.2968      0.00000

 k-point  51 :       0.1818    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.4919      2.00000
      2     -16.4919      2.00000
      3      -4.9240      2.00000
      4      -4.9240      2.00000
      5      -4.5086      2.00000
      6      -4.5086      2.00000
      7      -4.5020      2.00000
      8      -4.5020      2.00000
      9      -3.5043      2.00000
     10      -3.5043      2.00000
     11      -3.4968      2.00000
     12      -3.4968      2.00000
     13      -1.4774      2.00000
     14      -1.4774      2.00000
     15      -0.1877      2.00000
     16      -0.1877      2.00000
     17       0.1573      2.00000
     18       0.1573      2.00000
     19       5.0056      0.00000
     20       5.0056      0.00000
     21      10.4866      0.00000
     22      10.4866      0.00000
     23      12.4501      0.00000
     24      12.4501      0.00000
     25      13.9702      0.00000
     26      13.9702      0.00000
     27      18.1330      0.00000
     28      18.1330      0.00000
     29      20.9723      0.00000
     30      20.9723      0.00000
     31      22.4454      0.00000
     32      22.4454      0.00000
     33      23.7563      0.00000
     34      23.7563      0.00000
     35      26.3878      0.00000
     36      26.3878      0.00000
     37      27.8568      0.00000
     38      27.8568      0.00000
     39      30.0184      0.00000
     40      30.0184      0.00000

 k-point  52 :       0.2727    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.3784      2.00000
      2     -16.3784      2.00000
      3      -4.9808      2.00000
      4      -4.9808      2.00000
      5      -4.3982      2.00000
      6      -4.3982      2.00000
      7      -4.3912      2.00000
      8      -4.3912      2.00000
      9      -3.4951      2.00000
     10      -3.4951      2.00000
     11      -3.4807      2.00000
     12      -3.4807      2.00000
     13      -1.8246      2.00000
     14      -1.8246      2.00000
     15      -0.4420      2.00000
     16      -0.4420      2.00000
     17      -0.1319      2.00000
     18      -0.1319      2.00000
     19       5.6348      0.00000
     20       5.6348      0.00000
     21       9.9275      0.00000
     22       9.9275      0.00000
     23      12.1471      0.00000
     24      12.1471      0.00000
     25      14.1239      0.00000
     26      14.1239      0.00000
     27      17.2531      0.00000
     28      17.2531      0.00000
     29      21.5259      0.00000
     30      21.5259      0.00000
     31      22.6179      0.00000
     32      22.6179      0.00000
     33      25.2544      0.00000
     34      25.2544      0.00000
     35      27.0338      0.00000
     36      27.0338      0.00000
     37      28.5503      0.00000
     38      28.5503      0.00000
     39      30.5052      0.00000
     40      30.5052      0.00000

 k-point  53 :       0.3636    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.2715      2.00000
      2     -16.2715      2.00000
      3      -5.0070      2.00000
      4      -5.0070      2.00000
      5      -4.2894      2.00000
      6      -4.2894      2.00000
      7      -4.2673      2.00000
      8      -4.2673      2.00000
      9      -3.4703      2.00000
     10      -3.4703      2.00000
     11      -3.4430      2.00000
     12      -3.4430      2.00000
     13      -2.3514      2.00000
     14      -2.3514      2.00000
     15      -0.4772      2.00000
     16      -0.4772      2.00000
     17      -0.4074      2.00000
     18      -0.4074      2.00000
     19       6.1416      0.00000
     20       6.1416      0.00000
     21       9.3607      0.00000
     22       9.3607      0.00000
     23      12.0455      0.00000
     24      12.0455      0.00000
     25      14.2103      0.00000
     26      14.2103      0.00000
     27      16.8032      0.00000
     28      16.8032      0.00000
     29      22.2874      0.00000
     30      22.2874      0.00000
     31      22.3998      0.00000
     32      22.3998      0.00000
     33      25.9897      0.00000
     34      25.9897      0.00000
     35      27.2667      0.00000
     36      27.2667      0.00000
     37      29.6191      0.00000
     38      29.6191      0.00000
     39      31.6710      0.00000
     40      31.6711      0.00000

 k-point  54 :       0.4545    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.2067      2.00000
      2     -16.2067      2.00000
      3      -5.0090      2.00000
      4      -5.0090      2.00000
      5      -4.2309      2.00000
      6      -4.2309      2.00000
      7      -4.1583      2.00000
      8      -4.1583      2.00000
      9      -3.4439      2.00000
     10      -3.4439      2.00000
     11      -3.3733      2.00000
     12      -3.3733      2.00000
     13      -2.7764      2.00000
     14      -2.7764      2.00000
     15      -0.5781      2.00000
     16      -0.5781      2.00000
     17      -0.4571      2.00000
     18      -0.4571      2.00000
     19       6.4234      0.00000
     20       6.4234      0.00000
     21       9.0433      0.00000
     22       9.0433      0.00000
     23      11.9502      0.00000
     24      11.9502      0.00000
     25      14.2398      0.00000
     26      14.2398      0.00000
     27      16.7385      0.00000
     28      16.7385      0.00000
     29      22.0477      0.00000
     30      22.0477      0.00000
     31      23.2224      0.00000
     32      23.2224      0.00000
     33      25.7319      0.00000
     34      25.7319      0.00000
     35      27.0528      0.00000
     36      27.0528      0.00000
     37      30.7557      0.00000
     38      30.7557      0.00000
     39      32.8512      0.00000
     40      32.8684      0.00000

 k-point  55 :       0.0909    0.0909    0.5000
  band No.  band energies     occupation 
      1     -16.5187      2.00000
      2     -16.5187      2.00000
      3      -4.9028      2.00000
      4      -4.9028      2.00000
      5      -4.5566      2.00000
      6      -4.5566      2.00000
      7      -4.5079      2.00000
      8      -4.5079      2.00000
      9      -3.5057      2.00000
     10      -3.5057      2.00000
     11      -3.4976      2.00000
     12      -3.4976      2.00000
     13      -1.4319      2.00000
     14      -1.4319      2.00000
     15      -0.0623      2.00000
     16      -0.0623      2.00000
     17       0.2035      2.00000
     18       0.2035      2.00000
     19       4.8428      0.00000
     20       4.8428      0.00000
     21      10.5926      0.00000
     22      10.5926      0.00000
     23      12.6123      0.00000
     24      12.6123      0.00000
     25      13.8843      0.00000
     26      13.8843      0.00000
     27      18.6333      0.00000
     28      18.6333      0.00000
     29      20.3284      0.00000
     30      20.3284      0.00000
     31      22.4047      0.00000
     32      22.4047      0.00000
     33      23.9121      0.00000
     34      23.9121      0.00000
     35      25.8920      0.00000
     36      25.8920      0.00000
     37      27.5912      0.00000
     38      27.5912      0.00000
     39      30.0805      0.00000
     40      30.0806      0.00000

 k-point  56 :       0.1818    0.0909    0.5000
  band No.  band energies     occupation 
      1     -16.4195      2.00000
      2     -16.4195      2.00000
      3      -4.9492      2.00000
      4      -4.9492      2.00000
      5      -4.4892      2.00000
      6      -4.4892      2.00000
      7      -4.3972      2.00000
      8      -4.3972      2.00000
      9      -3.5021      2.00000
     10      -3.5021      2.00000
     11      -3.4837      2.00000
     12      -3.4837      2.00000
     13      -1.6467      2.00000
     14      -1.6467      2.00000
     15      -0.3686      2.00000
     16      -0.3686      2.00000
     17      -0.0917      2.00000
     18      -0.0917      2.00000
     19       5.4589      0.00000
     20       5.4589      0.00000
     21      10.2073      0.00000
     22      10.2073      0.00000
     23      12.1102      0.00000
     24      12.1102      0.00000
     25      13.9856      0.00000
     26      13.9856      0.00000
     27      17.9747      0.00000
     28      17.9747      0.00000
     29      20.3868      0.00000
     30      20.3868      0.00000
     31      23.3807      0.00000
     32      23.3807      0.00000
     33      24.9281      0.00000
     34      24.9281      0.00000
     35      26.3022      0.00000
     36      26.3022      0.00000
     37      28.3696      0.00000
     38      28.3696      0.00000
     39      30.4987      0.00000
     40      30.4989      0.00000

 k-point  57 :       0.2727    0.0909    0.5000
  band No.  band energies     occupation 
      1     -16.3090      2.00000
      2     -16.3090      2.00000
      3      -4.9721      2.00000
      4      -4.9721      2.00000
      5      -4.3835      2.00000
      6      -4.3835      2.00000
      7      -4.2891      2.00000
      8      -4.2891      2.00000
      9      -3.4874      2.00000
     10      -3.4874      2.00000
     11      -3.4484      2.00000
     12      -3.4484      2.00000
     13      -2.0958      2.00000
     14      -2.0958      2.00000
     15      -0.5458      2.00000
     16      -0.5458      2.00000
     17      -0.3486      2.00000
     18      -0.3486      2.00000
     19       6.0689      0.00000
     20       6.0689      0.00000
     21       9.6441      0.00000
     22       9.6441      0.00000
     23      11.8336      0.00000
     24      11.8336      0.00000
     25      14.1707      0.00000
     26      14.1707      0.00000
     27      17.2765      0.00000
     28      17.2765      0.00000
     29      21.0421      0.00000
     30      21.0421      0.00000
     31      23.1657      0.00000
     32      23.1657      0.00000
     33      26.3002      0.00000
     34      26.3002      0.00000
     35      26.7978      0.00000
     36      26.7978      0.00000
     37      29.3872      0.00000
     38      29.3872      0.00000
     39      30.8735      0.00000
     40      30.8735      0.00000

 k-point  58 :       0.3636    0.0909    0.5000
  band No.  band energies     occupation 
      1     -16.2229      2.00000
      2     -16.2229      2.00000
      3      -4.9681      2.00000
      4      -4.9681      2.00000
      5      -4.2846      2.00000
      6      -4.2846      2.00000
      7      -4.1882      2.00000
      8      -4.1882      2.00000
      9      -3.4720      2.00000
     10      -3.4720      2.00000
     11      -3.3765      2.00000
     12      -3.3765      2.00000
     13      -2.5871      2.00000
     14      -2.5871      2.00000
     15      -0.7468      2.00000
     16      -0.7468      2.00000
     17      -0.3970      2.00000
     18      -0.3970      2.00000
     19       6.5262      0.00000
     20       6.5262      0.00000
     21       9.1917      0.00000
     22       9.1917      0.00000
     23      11.6098      0.00000
     24      11.6098      0.00000
     25      14.4009      0.00000
     26      14.4009      0.00000
     27      16.9194      0.00000
     28      16.9194      0.00000
     29      21.7797      0.00000
     30      21.7797      0.00000
     31      22.7995      0.00000
     32      22.7995      0.00000
     33      26.4044      0.00000
     34      26.4044      0.00000
     35      27.0819      0.00000
     36      27.0819      0.00000
     37      30.4347      0.00000
     38      30.4347      0.00000
     39      32.2507      0.00000
     40      32.2515      0.00000

 k-point  59 :       0.4545    0.0909    0.5000
  band No.  band energies     occupation 
      1     -16.1904      2.00000
      2     -16.1904      2.00000
      3      -4.9612      2.00000
      4      -4.9612      2.00000
      5      -4.2543      2.00000
      6      -4.2543      2.00000
      7      -4.1243      2.00000
      8      -4.1243      2.00000
      9      -3.4655      2.00000
     10      -3.4655      2.00000
     11      -3.3113      2.00000
     12      -3.3113      2.00000
     13      -2.8356      2.00000
     14      -2.8356      2.00000
     15      -0.8365      2.00000
     16      -0.8365      2.00000
     17      -0.3920      2.00000
     18      -0.3920      2.00000
     19       6.7029      0.00000
     20       6.7029      0.00000
     21       9.0188      0.00000
     22       9.0188      0.00000
     23      11.5084      0.00000
     24      11.5084      0.00000
     25      14.5027      0.00000
     26      14.5027      0.00000
     27      16.8441      0.00000
     28      16.8441      0.00000
     29      22.1641      0.00000
     30      22.1641      0.00000
     31      22.5347      0.00000
     32      22.5347      0.00000
     33      26.5375      0.00000
     34      26.5375      0.00000
     35      26.9839      0.00000
     36      26.9839      0.00000
     37      30.4638      0.00000
     38      30.4638      0.00000
     39      33.0170      0.00000
     40      33.0173      0.00000

 k-point  60 :       0.1818    0.1818    0.5000
  band No.  band energies     occupation 
      1     -16.3231      2.00000
      2     -16.3231      2.00000
      3      -4.9381      2.00000
      4      -4.9381      2.00000
      5      -4.4421      2.00000
      6      -4.4421      2.00000
      7      -4.2935      2.00000
      8      -4.2935      2.00000
      9      -3.4921      2.00000
     10      -3.4921      2.00000
     11      -3.4463      2.00000
     12      -3.4463      2.00000
     13      -1.9676      2.00000
     14      -1.9676      2.00000
     15      -0.6043      2.00000
     16      -0.6043      2.00000
     17      -0.3582      2.00000
     18      -0.3582      2.00000
     19       6.0899      0.00000
     20       6.0899      0.00000
     21       9.8405      0.00000
     22       9.8405      0.00000
     23      11.5941      0.00000
     24      11.5941      0.00000
     25      14.1174      0.00000
     26      14.1174      0.00000
     27      17.8706      0.00000
     28      17.8706      0.00000
     29      20.1384      0.00000
     30      20.1384      0.00000
     31      23.7904      0.00000
     32      23.7904      0.00000
     33      25.7629      0.00000
     34      25.7629      0.00000
     35      27.2560      0.00000
     36      27.2560      0.00000
     37      28.8733      0.00000
     38      28.8733      0.00000
     39      30.9190      0.00000
     40      30.9202      0.00000

 k-point  61 :       0.2727    0.1818    0.5000
  band No.  band energies     occupation 
      1     -16.2331      2.00000
      2     -16.2331      2.00000
      3      -4.8907      2.00000
      4      -4.8907      2.00000
      5      -4.3698      2.00000
      6      -4.3698      2.00000
      7      -4.2060      2.00000
      8      -4.2060      2.00000
      9      -3.4890      2.00000
     10      -3.4890      2.00000
     11      -3.3651      2.00000
     12      -3.3651      2.00000
     13      -2.3822      2.00000
     14      -2.3822      2.00000
     15      -1.0028      2.00000
     16      -1.0028      2.00000
     17      -0.3724      2.00000
     18      -0.3724      2.00000
     19       6.7482      0.00000
     20       6.7482      0.00000
     21       9.4493      0.00000
     22       9.4493      0.00000
     23      11.0144      0.00000
     24      11.0144      0.00000
     25      14.5581      0.00000
     26      14.5581      0.00000
     27      17.3820      0.00000
     28      17.3820      0.00000
     29      20.6401      0.00000
     30      20.6401      0.00000
     31      23.5461      0.00000
     32      23.5461      0.00000
     33      25.8329      0.00000
     34      25.8329      0.00000
     35      27.8711      0.00000
     36      27.8711      0.00000
     37      30.6415      0.00000
     38      30.6415      0.00000
     39      31.4386      0.00000
     40      31.4390      0.00000

 k-point  62 :       0.3636    0.1818    0.5000
  band No.  band energies     occupation 
      1     -16.1789      2.00000
      2     -16.1789      2.00000
      3      -4.8452      2.00000
      4      -4.8452      2.00000
      5      -4.3326      2.00000
      6      -4.3326      2.00000
      7      -4.1001      2.00000
      8      -4.1001      2.00000
      9      -3.5086      2.00000
     10      -3.5086      2.00000
     11      -3.2582      2.00000
     12      -3.2582      2.00000
     13      -2.7392      2.00000
     14      -2.7392      2.00000
     15      -1.2468      2.00000
     16      -1.2468      2.00000
     17      -0.3526      2.00000
     18      -0.3526      2.00000
     19       7.2438      0.00000
     20       7.2438      0.00000
     21       9.1142      0.00000
     22       9.1142      0.00000
     23      10.6446      0.00000
     24      10.6446      0.00000
     25      15.0204      0.00000
     26      15.0204      0.00000
     27      17.0033      0.00000
     28      17.0033      0.00000
     29      20.9855      0.00000
     30      20.9855      0.00000
     31      23.1234      0.00000
     32      23.1234      0.00000
     33      26.3024      0.00000
     34      26.3024      0.00000
     35      27.9726      0.00000
     36      27.9726      0.00000
     37      30.2425      0.00000
     38      30.2425      0.00000
     39      33.0066      0.00000
     40      33.0071      0.00000

 k-point  63 :       0.2727    0.2727    0.5000
  band No.  band energies     occupation 
      1     -16.1749      2.00000
      2     -16.1749      2.00000
      3      -4.7677      2.00000
      4      -4.7677      2.00000
      5      -4.3903      2.00000
      6      -4.3903      2.00000
      7      -4.0917      2.00000
      8      -4.0917      2.00000
      9      -3.5289      2.00000
     10      -3.5289      2.00000
     11      -3.2409      2.00000
     12      -3.2409      2.00000
     13      -2.6427      2.00000
     14      -2.6427      2.00000
     15      -1.4697      2.00000
     16      -1.4697      2.00000
     17      -0.3411      2.00000
     18      -0.3411      2.00000
     19       7.5549      0.00000
     20       7.5549      0.00000
     21       9.2877      0.00000
     22       9.2877      0.00000
     23      10.0789      0.00000
     24      10.0789      0.00000
     25      15.2947      0.00000
     26      15.2947      0.00000
     27      17.0937      0.00000
     28      17.0937      0.00000
     29      20.3455      0.00000
     30      20.3455      0.00000
     31      23.7266      0.00000
     32      23.7266      0.00000
     33      25.8940      0.00000
     34      25.8940      0.00000
     35      28.0949      0.00000
     36      28.0949      0.00000
     37      31.0807      0.00000
     38      31.0807      0.00000
     39      32.1481      0.00000
     40      32.1482      0.00000

 k-point  64 :       0.3636    0.2727    0.5000
  band No.  band energies     occupation 
      1     -16.1531      2.00000
      2     -16.1531      2.00000
      3      -4.6997      2.00000
      4      -4.6997      2.00000
      5      -4.4189      2.00000
      6      -4.4189      2.00000
      7      -3.9973      2.00000
      8      -3.9973      2.00000
      9      -3.5807      2.00000
     10      -3.5807      2.00000
     11      -3.1582      2.00000
     12      -3.1582      2.00000
     13      -2.7796      2.00000
     14      -2.7796      2.00000
     15      -1.6587      2.00000
     16      -1.6587      2.00000
     17      -0.3266      2.00000
     18      -0.3266      2.00000
     19       8.1238      0.00000
     20       8.1238      0.00000
     21       9.0286      0.00000
     22       9.0286      0.00000
     23       9.6615      0.00000
     24       9.6615      0.00000
     25      15.8563      0.00000
     26      15.8563      0.00000
     27      16.7368      0.00000
     28      16.7368      0.00000
     29      20.1227      0.00000
     30      20.1227      0.00000
     31      23.8277      0.00000
     32      23.8277      0.00000
     33      26.2469      0.00000
     34      26.2469      0.00000
     35      27.7939      0.00000
     36      27.7939      0.00000
     37      31.1146      0.00000
     38      31.1146      0.00000
     39      32.6187      0.00000
     40      32.6187      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
 -9.590  -0.003   0.000   0.000  -0.000  -9.970  -0.003   0.000
 -0.003  -9.598  -0.000  -0.000  -0.000  -0.003  -9.977  -0.000
  0.000  -0.000  -9.594   0.000   0.000   0.000  -0.000  -9.973
  0.000  -0.000   0.000  -9.598   0.003   0.000  -0.000   0.000
 -0.000  -0.000   0.000   0.003  -9.590  -0.000  -0.000   0.000
 -9.970  -0.003   0.000   0.000  -0.000 -10.273  -0.003   0.000
 -0.003  -9.977  -0.000  -0.000  -0.000  -0.003 -10.280  -0.000
  0.000  -0.000  -9.973   0.000   0.000   0.000  -0.000 -10.277
  0.000  -0.000   0.000  -9.977   0.003   0.000  -0.000   0.000
 -0.000  -0.000   0.000   0.003  -9.970  -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  -0.000   0.000   0.000
 -0.002   0.000  -0.000   0.000  -0.000  -0.002   0.000  -0.000
  0.000   0.000  -0.004  -0.000   0.000   0.000   0.000  -0.003
  0.000   0.000   0.000   0.000   0.002   0.000   0.000   0.000
 -0.002  -0.000   0.000   0.000  -0.000  -0.001  -0.000  -0.000
  0.000   0.000  -0.003  -0.000   0.000   0.000   0.000  -0.002
  0.000   0.000  -0.000  -0.000   0.002   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  4.444  -0.949  -0.000   0.000   0.000  -2.425   0.929   0.000  -0.000  -0.000   0.000  -0.000  -0.693   0.000   0.000   0.136
 -0.949   3.589   0.000   0.000  -0.000   0.929  -1.590  -0.000  -0.000  -0.000   0.000  -0.000   0.452  -0.000   0.000  -0.089
 -0.000   0.000   5.136  -0.000  -0.000   0.000  -0.000  -3.094   0.000   0.000   0.078  -0.016   0.000  -0.813  -0.000  -0.000
  0.000   0.000  -0.000   3.589   0.949  -0.000  -0.000   0.000  -1.590  -0.929   0.000  -0.000   0.000   0.000   0.452  -0.000
  0.000  -0.000  -0.000   0.949   4.444  -0.000  -0.000   0.000  -0.929  -2.425   0.000   0.000  -0.000   0.000   0.693  -0.000
 -2.425   0.929   0.000  -0.000  -0.000   2.408  -0.907  -0.000   0.000   0.000   0.000   0.000   0.663  -0.000  -0.000  -0.150
  0.929  -1.590  -0.000  -0.000  -0.000  -0.907   1.593   0.000   0.000  -0.000  -0.000   0.000  -0.432   0.000  -0.000   0.098
  0.000  -0.000  -3.094   0.000   0.000  -0.000   0.000   3.052  -0.000  -0.000  -0.076   0.019  -0.000   0.777   0.000   0.000
 -0.000  -0.000   0.000  -1.590  -0.929   0.000   0.000  -0.000   1.593   0.907   0.000   0.000  -0.000   0.000  -0.432   0.000
 -0.000   0.000   0.000  -0.929  -2.425   0.000  -0.000  -0.000   0.907   2.408   0.000   0.000   0.000  -0.000  -0.663   0.000
  0.000   0.000   0.078   0.000   0.000   0.000  -0.000  -0.076   0.000   0.000   2.642  -0.755   0.000   0.007   0.000  -0.000
 -0.000  -0.000  -0.016   0.000   0.000   0.000   0.000   0.019  -0.000   0.000  -0.755   0.248  -0.000  -0.002  -0.000  -0.000
 -0.693   0.452   0.000   0.000  -0.000   0.663  -0.432  -0.000  -0.000  -0.000   0.000  -0.000   0.401  -0.000   0.000  -0.091
  0.000  -0.000  -0.813   0.000   0.000  -0.000   0.000   0.777   0.000  -0.000   0.007  -0.002  -0.000   0.385  -0.000   0.000
  0.000   0.000  -0.000   0.452   0.693  -0.000  -0.000   0.000  -0.432  -0.663   0.000   0.000   0.000   0.000   0.401  -0.000
  0.136  -0.089  -0.000  -0.000  -0.000  -0.150   0.098   0.000   0.000   0.000  -0.000  -0.000  -0.091   0.000  -0.000   0.024
 -0.000   0.000   0.157  -0.000  -0.000   0.000  -0.000  -0.174   0.000   0.000  -0.003   0.001   0.000  -0.087  -0.000   0.000
 -0.000  -0.000   0.000  -0.089  -0.136   0.000   0.000  -0.000   0.098   0.150   0.000   0.000  -0.000   0.000  -0.091   0.000


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


    CHARGE:  cpu time    0.32: real time    0.32
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    0.97: real time    0.97
    STRESS:  cpu time    2.03: real time    2.05
    FORCOR:  cpu time    0.06: real time    0.07
    FORHAR:  cpu time    0.02: real time    0.02
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   224.66538   224.66538   224.66538
  Ewald    -983.99614  -983.99614  -952.48068    -0.00000    -0.00000     0.00000
  Hartree   435.26390   435.26390   464.26815    -0.00000    -0.00000    -0.00000
  E(xc)    -205.16398  -205.16397  -205.16991    -0.00001    -0.00000    -0.00000
  Local     149.61627   149.61638    88.37165    -0.00010    -0.00000     0.00000
  n-local  -112.65867  -118.22689  -115.63938     0.93677     0.05018     0.29154
  augment    91.29463    91.29456    91.37861     0.00006     0.00000    -0.00000
  Kinetic   395.19835   412.03433   404.66040    -2.13921    -0.25480    -1.30679
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.14636    -0.14636     0.05423     0.00000     0.00000     0.00000
  in kB      -4.71888    -4.71888     1.74862     0.00000     0.00000     0.00000
  external pressure =       -2.56 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      600.00
  volume of cell :       49.69
      direct lattice vectors                 reciprocal lattice vectors
     2.853604050 -1.647529067  0.000000000     0.350434041  0.000000000  0.000000000
     0.000000000  3.295058133  0.000000000     0.175217021  0.303484782 -0.000000000
     0.000000000  0.000000000  5.284824189    -0.000000000  0.000000000  0.189221053

  length of vectors
     3.295058133  3.295058133  5.284824189     0.350434041  0.350434041  0.189221053


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.110E-05 -.186E-05 0.473E+00   -.380E-11 0.621E-11 -.293E+00   0.139E-16 0.000E+00 -.178E+00   0.267E-10 -.465E-10 0.256E-04
   -.106E-05 0.188E-05 0.473E+00   0.379E-11 -.622E-11 -.293E+00   -.139E-16 0.000E+00 -.178E+00   -.267E-10 0.464E-10 0.256E-04
   0.199E-06 -.371E-06 -.222E+00   -.350E-11 0.578E-11 0.293E+00   -.108E-17 0.000E+00 -.731E-01   0.319E-10 -.552E-10 -.126E-03
   -.221E-06 0.358E-06 -.222E+00   0.351E-11 -.577E-11 0.293E+00   0.347E-17 0.000E+00 -.731E-01   -.319E-10 0.553E-10 -.126E-03
 -----------------------------------------------------------------------------------------------
   0.245E-07 0.141E-07 0.500E+00   -.711E-14 -.682E-14 0.000E+00   0.239E-17 0.000E+00 -.502E+00   -.102E-13 -.542E-13 -.201E-03


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.95120      1.64753      0.00476         0.000000     -0.000000      0.002399
      1.90240      0.00000      2.64717        -0.000000      0.000000      0.002399
      0.95120      1.64753      2.01669        -0.000000     -0.000000     -0.002399
      1.90240      0.00000      4.65910         0.000000     -0.000000     -0.002399
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.001474


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -17.86189670 eV

  energy  without entropy=      -17.86189670  energy(sigma->0) =      -17.86189670



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


    POTLOK:  cpu time    0.07: real time    0.07


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



 Found     4 degrees of freedom:
  ----------------------------------------------

     directions for atom     1:  z 
     directions for atom     3:  z 
 Linear response reoptimize wavefunctions
 Linear response G [H, r] |phi>, progress :
  Direction:   1


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


    HAMIL1:  cpu time    1.50: real time    1.52
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    5.27: real time    5.32
    --------------------------------------------
      LOOP:  cpu time    6.90: real time    6.97

  free energy    TOTEN  =       -82.78680158 eV
  ---------------------------------------------------


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


    HAMIL1:  cpu time    1.50: real time    1.52
    LRDIAG:  cpu time    0.13: real time    0.14
    LRDIIS:  cpu time    5.86: real time    5.91
    --------------------------------------------
      LOOP:  cpu time    7.49: real time    7.56

  free energy    TOTEN  =       -88.73293930 eV
  ---------------------------------------------------


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


    HAMIL1:  cpu time    1.50: real time    1.52
    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.48: real time    6.52
    --------------------------------------------
      LOOP:  cpu time    8.11: real time    8.17

  free energy    TOTEN  =       -88.98885921 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.58: real time    6.62
    --------------------------------------------
      LOOP:  cpu time    6.71: real time    6.76

  free energy    TOTEN  =       -88.98924284 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.76: real time    6.81
    --------------------------------------------
      LOOP:  cpu time    6.89: real time    6.95

  free energy    TOTEN  =       -88.98929486 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.62: real time    6.67
    --------------------------------------------
      LOOP:  cpu time    6.75: real time    6.80

  free energy    TOTEN  =       -88.98929781 eV
  ---------------------------------------------------


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




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


 Linear response G [H, r] |phi>, progress :
  Direction:   2


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


    HAMIL1:  cpu time    1.51: real time    1.52
    LRDIAG:  cpu time    0.13: real time    0.14
    LRDIIS:  cpu time    5.21: real time    5.25
    --------------------------------------------
      LOOP:  cpu time    6.85: real time    6.90

  free energy    TOTEN  =       -99.27325904 eV
  ---------------------------------------------------


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


    HAMIL1:  cpu time    1.50: real time    1.52
    LRDIAG:  cpu time    0.13: real time    0.14
    LRDIIS:  cpu time    5.96: real time    6.00
    --------------------------------------------
      LOOP:  cpu time    7.60: real time    7.66

  free energy    TOTEN  =      -103.74656454 eV
  ---------------------------------------------------


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


    HAMIL1:  cpu time    1.51: real time    1.52
    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.58: real time    6.63
    --------------------------------------------
      LOOP:  cpu time    8.22: real time    8.28

  free energy    TOTEN  =      -103.94282492 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.75: real time    6.80
    --------------------------------------------
      LOOP:  cpu time    6.88: real time    6.93

  free energy    TOTEN  =      -103.94309656 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.74: real time    6.79
    --------------------------------------------
      LOOP:  cpu time    6.87: real time    6.92

  free energy    TOTEN  =      -103.94330896 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   6)  ---------------------------------------


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.58: real time    6.63
    --------------------------------------------
      LOOP:  cpu time    6.71: real time    6.76

  free energy    TOTEN  =      -103.94332566 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   7)  ---------------------------------------


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.06: real time    6.11
    --------------------------------------------
      LOOP:  cpu time    6.19: real time    6.24

  free energy    TOTEN  =      -103.94332783 eV
  ---------------------------------------------------


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




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


 Linear response G [H, r] |phi>, progress :
  Direction:   3


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


    HAMIL1:  cpu time    1.51: real time    1.53
    LRDIAG:  cpu time    0.13: real time    0.14
    LRDIIS:  cpu time    5.19: real time    5.23
    --------------------------------------------
      LOOP:  cpu time    6.84: real time    6.89

  free energy    TOTEN  =       -92.68515928 eV
  ---------------------------------------------------


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


    HAMIL1:  cpu time    1.51: real time    1.53
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    5.87: real time    5.91
    --------------------------------------------
      LOOP:  cpu time    7.51: real time    7.58

  free energy    TOTEN  =       -96.39049930 eV
  ---------------------------------------------------


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


    HAMIL1:  cpu time    1.51: real time    1.52
    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.53: real time    6.58
    --------------------------------------------
      LOOP:  cpu time    8.17: real time    8.23

  free energy    TOTEN  =       -96.62480462 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.71: real time    6.76
    --------------------------------------------
      LOOP:  cpu time    6.84: real time    6.89

  free energy    TOTEN  =       -96.62535669 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.74: real time    6.79
    --------------------------------------------
      LOOP:  cpu time    6.87: real time    6.92

  free energy    TOTEN  =       -96.62534039 eV
  ---------------------------------------------------


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


    LRDIAG:  cpu time    0.13: real time    0.13
    LRDIIS:  cpu time    6.56: real time    6.60
    --------------------------------------------
      LOOP:  cpu time    6.69: real time    6.74

  free energy    TOTEN  =       -96.62533720 eV
  ---------------------------------------------------


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




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


 Linear response to external field (no local field effect), progress :
  Direction:   1
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  2 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_1h.


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


   POT+DIJ:  cpu time    0.13: real time    0.14
    HAMIL1:  cpu time    1.59: real time    1.60
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    4.15: real time    4.18
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    6.14: real time    6.18

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.38806017
  ---------------------------------------------------
  free energy    TOTEN  =        -0.38806017 eV

  energy without entropy =       -0.38806017


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.60
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.08: real time    6.13
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    8.07: real time    8.13

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.48362322
  ---------------------------------------------------
  free energy    TOTEN  =        -0.48362322 eV

  energy without entropy =       -0.48362322


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.60
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.16: real time    6.18
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    8.16: real time    8.18

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.48400499
  ---------------------------------------------------
  free energy    TOTEN  =        -0.48400499 eV

  energy without entropy =       -0.48400499


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.60
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.10: real time    6.11
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    8.10: real time    8.12

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.48400508
  ---------------------------------------------------
  free energy    TOTEN  =        -0.48400508 eV

  energy without entropy =       -0.48400508


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


 change of polarisation eV/A/(eV/A) component  1 :     0.968    -0.052    -0.161
 dielectric tensor                  component  1 :     4.525    -0.191    -0.586


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


 Linear response to external field (no local field effect), progress :
  Direction:   2
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  2 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_1 .
 The point group associated with its full space group is C_1h.


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.60
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    4.16: real time    4.17
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    6.16: real time    6.17

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.71031951
  ---------------------------------------------------
  free energy    TOTEN  =        -0.71031951 eV

  energy without entropy =       -0.71031951


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


   POT+DIJ:  cpu time    0.14: real time    0.14
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.06: real time    6.08
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    8.07: real time    8.10

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.84799250
  ---------------------------------------------------
  free energy    TOTEN  =        -0.84799250 eV

  energy without entropy =       -0.84799250


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.17: real time    6.19
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    8.18: real time    8.20

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.84847394
  ---------------------------------------------------
  free energy    TOTEN  =        -0.84847394 eV

  energy without entropy =       -0.84847394


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


   POT+DIJ:  cpu time    0.14: real time    0.14
    HAMIL1:  cpu time    1.60: real time    1.60
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    5.87: real time    5.89
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    7.87: real time    7.89

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.84847462
  ---------------------------------------------------
  free energy    TOTEN  =        -0.84847462 eV

  energy without entropy =       -0.84847462


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


 change of polarisation eV/A/(eV/A) component  2 :    -0.052     1.697    -0.026
 dielectric tensor                  component  2 :    -0.191     7.179    -0.094


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


 Linear response to external field (no local field effect), progress :
  Direction:   3
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    4.27: real time    4.28
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    6.27: real time    6.29

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.56205552
  ---------------------------------------------------
  free energy    TOTEN  =        -0.56205552 eV

  energy without entropy =       -0.56205552


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.11: real time    6.13
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    8.12: real time    8.14

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.65461162
  ---------------------------------------------------
  free energy    TOTEN  =        -0.65461162 eV

  energy without entropy =       -0.65461162


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.13: real time    6.15
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    8.14: real time    8.16

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.65489217
  ---------------------------------------------------
  free energy    TOTEN  =        -0.65489217 eV

  energy without entropy =       -0.65489217


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


   POT+DIJ:  cpu time    0.14: real time    0.14
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    5.94: real time    5.96
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    7.95: real time    7.97

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.65489311
  ---------------------------------------------------
  free energy    TOTEN  =        -0.65489311 eV

  energy without entropy =       -0.65489311


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


 change of polarisation eV/A/(eV/A) component  3 :    -0.161    -0.026     1.310
 dielectric tensor                  component  3 :    -0.586    -0.094     5.770


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


  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


 HEAD OF MICROSCOPIC STATIC DIELECTRIC TENSOR (independent particle, excluding Hartree and local field effects)
 ------------------------------------------------------
           5.852207     0.000000     0.000000
          -0.000000     5.852207     0.000000
           0.000000    -0.000000     5.769569
 ------------------------------------------------------



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


 Linear response to external field, progress :
  Direction:   1
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  2 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_1h.


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.14: real time    5.15
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   13.15: real time   13.19
    LRDIAG:  cpu time    0.41: real time    0.41
    --------------------------------------------
      LOOP:  cpu time   19.25: real time   19.31

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.54718699
  ---------------------------------------------------
  free energy    TOTEN  =        -0.54718699 eV

  energy without entropy =       -0.54718699


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.13: real time    5.15
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.29: real time   19.34
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.30: real time   27.37

 Broyden mixing:
  rms(total) = 0.11621E+00    rms(broyden)= 0.11619E+00
  rms(prec ) = 0.17428E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.66580257
  ---------------------------------------------------
  free energy    TOTEN  =        -0.66580257 eV

  energy without entropy =       -0.66580257


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.13: real time    5.14
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.62: real time   19.67
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.62: real time   27.70

 Broyden mixing:
  rms(total) = 0.66525E-01    rms(broyden)= 0.66524E-01
  rms(prec ) = 0.10195E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3190
  2.3190

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00739705
  -V(xc)+E(xc)   XCENC  =         0.00007702
  PAW double counting   =         0.00704478       -0.00762423
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.65256242
  ---------------------------------------------------
  free energy    TOTEN  =        -0.66046190 eV

  energy without entropy =       -0.66046190


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.13: real time    5.14
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.87: real time   19.93
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.87: real time   27.96

 Broyden mixing:
  rms(total) = 0.52812E-02    rms(broyden)= 0.52810E-02
  rms(prec ) = 0.82982E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3024
  2.4485  2.1563

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04305405
  -V(xc)+E(xc)   XCENC  =         0.00045671
  PAW double counting   =         0.03957591       -0.04212606
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63633369
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68148117 eV

  energy without entropy =       -0.68148117


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.08: real time    5.10
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.41: real time   19.51
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.37: real time   27.50

 Broyden mixing:
  rms(total) = 0.12889E-02    rms(broyden)= 0.12889E-02
  rms(prec ) = 0.19368E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0783
  1.0971  2.2429  2.8947

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04507006
  -V(xc)+E(xc)   XCENC  =         0.00049236
  PAW double counting   =         0.04074708       -0.04316164
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63756870
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68456095 eV

  energy without entropy =       -0.68456095


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


   POT+DIJ:  cpu time    0.13: real time    0.14
    HAMIL1:  cpu time    5.07: real time    5.10
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.67: real time   19.74
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.62: real time   27.72

 Broyden mixing:
  rms(total) = 0.48787E-03    rms(broyden)= 0.48785E-03
  rms(prec ) = 0.77575E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0264
  0.9990  2.8656  2.3814  1.8596

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04545564
  -V(xc)+E(xc)   XCENC  =         0.00049990
  PAW double counting   =         0.04103711       -0.04343565
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63784139
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68519568 eV

  energy without entropy =       -0.68519568


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


   POT+DIJ:  cpu time    0.14: real time    0.14
    HAMIL1:  cpu time    5.13: real time    5.14
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.49: real time   19.54
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.51: real time   27.57

 Broyden mixing:
  rms(total) = 0.65513E-04    rms(broyden)= 0.65506E-04
  rms(prec ) = 0.10140E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8590
  2.8886  2.3682  1.8835  0.9868  1.1680

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04547145
  -V(xc)+E(xc)   XCENC  =         0.00050157
  PAW double counting   =         0.04102325       -0.04341506
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63799684
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68535852 eV

  energy without entropy =       -0.68535852


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.10: real time    5.11
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   15.94: real time   15.97
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   23.93: real time   23.97

 Broyden mixing:
  rms(total) = 0.38939E-04    rms(broyden)= 0.38938E-04
  rms(prec ) = 0.57611E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8948
  2.9781  2.3899  2.3899  1.8418  0.9976  0.7715

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04548380
  -V(xc)+E(xc)   XCENC  =         0.00050175
  PAW double counting   =         0.04101258       -0.04340596
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63799734
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68537278 eV

  energy without entropy =       -0.68537278


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.13: real time    5.14
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   17.30: real time   17.33
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   25.31: real time   25.35

 Broyden mixing:
  rms(total) = 0.75691E-05    rms(broyden)= 0.75687E-05
  rms(prec ) = 0.12921E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7944
  3.0095  2.5682  2.3507  1.8420  0.7615  1.0145  1.0145

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04548952
  -V(xc)+E(xc)   XCENC  =         0.00050183
  PAW double counting   =         0.04099101       -0.04338607
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63799751
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68538025 eV

  energy without entropy =       -0.68538025


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


   POT+DIJ:  cpu time    0.14: real time    0.14
    HAMIL1:  cpu time    5.14: real time    5.33
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   12.17: real time   13.37
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.19: real time   21.60

 Broyden mixing:
  rms(total) = 0.27562E-05    rms(broyden)= 0.27561E-05
  rms(prec ) = 0.45832E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8293
  3.0410  2.6541  2.2205  2.0894  1.8914  1.0086  0.9715  0.7580

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04548527
  -V(xc)+E(xc)   XCENC  =         0.00050179
  PAW double counting   =         0.04098502       -0.04337993
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63799925
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68537763 eV

  energy without entropy =       -0.68537763


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


 change of polarisation eV/A/(eV/A) component  1 :     1.301    -0.083    -0.000
 dielectric tensor                  component  1 :     5.739    -0.300    -0.000


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


    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.14: real time    3.15
    STRESS:  cpu time    6.36: real time    6.37
    FORCOR:  cpu time    0.06: real time    0.06
    FORLOC:  cpu time    0.01: real time    0.01
    FORNL :  cpu time    3.06: real time    3.06
    STRESS:  cpu time    6.36: real time    6.37
    FORCOR:  cpu time    0.06: real time    0.06
    FORNLD:  cpu time    4.66: real time    4.66

 PIEZOELECTRIC TENSOR FIELD DIRECTION 1  (e Angst)
 -----------------------------------------------------------------------------
    -0.00021 -0.00000  1.24679           ( -0.00004 -0.00000  0.05331)
    -0.00000 -0.00004 -0.00000           ( -0.00000 -0.00001 -0.00000)
     1.24679 -0.00000  0.00001           (  0.05331 -0.00000 -0.00001)

 PIEZOELECTRIC TENSOR FIELD DIRECTION 1  (C/m^2)
 -----------------------------------------------------------------------------
    -0.00007 -0.00000  0.40199
    -0.00000 -0.00001 -0.00000
     0.40199 -0.00000  0.00000


      POSITION         DIRECTION 1           BORN EFFECTIVE CHARGE    (rigid.aug.   ionic)
 -----------------------------------------------------------------------------------------
      0.95120      1.64753      0.00476     2.13469 -0.00000 -0.00003 ( -8.11469 12.00000)
      1.90240      0.00000      2.64717     2.13475 -0.00000 -0.00004 ( -8.11469 12.00000)
      0.95120      1.64753      2.01669    -2.14024  0.00000  0.00004 ( -0.62358  6.00000)
      1.90240      0.00000      4.65910    -2.14027 -0.00000  0.00005 ( -0.62358  6.00000)
 -----------------------------------------------------------------------------------------
    total drift (improves with k-points):  -0.01107 -0.00000  0.00001




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


 Linear response to external field, progress :
  Direction:   2
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  2 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_1 .
 The point group associated with its full space group is C_1h.


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.13: real time    5.14
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   13.22: real time   13.24
    LRDIAG:  cpu time    0.41: real time    0.41
    --------------------------------------------
      LOOP:  cpu time   19.32: real time   19.35

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.54660740
  ---------------------------------------------------
  free energy    TOTEN  =        -0.54660740 eV

  energy without entropy =       -0.54660740


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.11: real time    5.12
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.45: real time   19.48
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.43: real time   27.48

 Broyden mixing:
  rms(total) = 0.11620E+00    rms(broyden)= 0.11618E+00
  rms(prec ) = 0.17427E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.66581644
  ---------------------------------------------------
  free energy    TOTEN  =        -0.66581644 eV

  energy without entropy =       -0.66581644


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.11: real time    5.12
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.25: real time   19.80
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.24: real time   27.80

 Broyden mixing:
  rms(total) = 0.66525E-01    rms(broyden)= 0.66523E-01
  rms(prec ) = 0.10195E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3192
  2.3192

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00739695
  -V(xc)+E(xc)   XCENC  =         0.00007702
  PAW double counting   =         0.00704542       -0.00762488
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.65256061
  ---------------------------------------------------
  free energy    TOTEN  =        -0.66046000 eV

  energy without entropy =       -0.66046000


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.15: real time    5.16
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.96: real time   19.99
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.99: real time   28.03

 Broyden mixing:
  rms(total) = 0.52805E-02    rms(broyden)= 0.52802E-02
  rms(prec ) = 0.82965E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3019
  2.4464  2.1575

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04305733
  -V(xc)+E(xc)   XCENC  =         0.00045675
  PAW double counting   =         0.03958127       -0.04213164
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63633255
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68148351 eV

  energy without entropy =       -0.68148351


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.12: real time    5.13
    LRDIAG:  cpu time    0.43: real time    0.43
    LRDIIS:  cpu time   19.50: real time   19.54
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.52: real time   27.56

 Broyden mixing:
  rms(total) = 0.12861E-02    rms(broyden)= 0.12860E-02
  rms(prec ) = 0.19332E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0773
  1.0942  2.2432  2.8945

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04507053
  -V(xc)+E(xc)   XCENC  =         0.00049238
  PAW double counting   =         0.04074626       -0.04316055
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63757080
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68456324 eV

  energy without entropy =       -0.68456324


----------------------------------------- Iteration    2(   6)  ---------------------------------------


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.15: real time    5.16
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.67: real time   19.70
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.70: real time   27.75

 Broyden mixing:
  rms(total) = 0.49017E-03    rms(broyden)= 0.49015E-03
  rms(prec ) = 0.77890E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0284
  0.9996  2.8650  2.3842  1.8648

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04545491
  -V(xc)+E(xc)   XCENC  =         0.00049988
  PAW double counting   =         0.04103592       -0.04343443
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63784107
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68519462 eV

  energy without entropy =       -0.68519462


----------------------------------------- Iteration    2(   7)  ---------------------------------------


   POT+DIJ:  cpu time    0.14: real time    0.14
    HAMIL1:  cpu time    5.13: real time    5.14
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.50: real time   19.64
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.51: real time   27.68

 Broyden mixing:
  rms(total) = 0.63087E-04    rms(broyden)= 0.63079E-04
  rms(prec ) = 0.95309E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9809
  2.9213  2.3288  0.9964  1.9492  1.7086

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04547137
  -V(xc)+E(xc)   XCENC  =         0.00050158
  PAW double counting   =         0.04102291       -0.04341471
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63799789
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68535948 eV

  energy without entropy =       -0.68535948


----------------------------------------- Iteration    2(   8)  ---------------------------------------


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.06: real time    5.12
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   16.69: real time   17.06
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   24.62: real time   25.08

 Broyden mixing:
  rms(total) = 0.23468E-04    rms(broyden)= 0.23466E-04
  rms(prec ) = 0.34090E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9575
  2.9927  2.3960  2.5147  1.8493  0.9963  0.9963

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04549212
  -V(xc)+E(xc)   XCENC  =         0.00050186
  PAW double counting   =         0.04100582       -0.04340028
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63799718
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68538191 eV

  energy without entropy =       -0.68538191


----------------------------------------- Iteration    2(   9)  ---------------------------------------


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    5.07: real time    5.13
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   15.73: real time   15.89
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   23.68: real time   23.91

 Broyden mixing:
  rms(total) = 0.35899E-05    rms(broyden)= 0.35893E-05
  rms(prec ) = 0.64910E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8647
  3.0162  2.5945  2.3276  1.8265  1.3322  0.9466  1.0090

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04548623
  -V(xc)+E(xc)   XCENC  =         0.00050179
  PAW double counting   =         0.04098556       -0.04338063
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63799889
  ---------------------------------------------------
  free energy    TOTEN  =        -0.68537840 eV

  energy without entropy =       -0.68537840


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


 change of polarisation eV/A/(eV/A) component  2 :    -0.147     1.301    -0.000
 dielectric tensor                  component  2 :    -0.537     5.739    -0.000


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


    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.05: real time    3.08
    STRESS:  cpu time    6.39: real time    6.45
    FORCOR:  cpu time    0.07: real time    0.07
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.05: real time    3.07
    STRESS:  cpu time    6.38: real time    6.44
    FORCOR:  cpu time    0.06: real time    0.06
    FORNLD:  cpu time    4.62: real time    4.66

 PIEZOELECTRIC TENSOR FIELD DIRECTION 2  (e Angst)
 -----------------------------------------------------------------------------
    -0.00008 -0.00000 -0.00000           ( -0.00000 -0.00000 -0.00000)
    -0.00000 -0.00020  1.24693           ( -0.00000 -0.00004  0.05331)
    -0.00000  1.24695  0.00000           ( -0.00000  0.05331 -0.00001)

 PIEZOELECTRIC TENSOR FIELD DIRECTION 2  (C/m^2)
 -----------------------------------------------------------------------------
    -0.00003 -0.00000 -0.00000
    -0.00000 -0.00006  0.40204
    -0.00000  0.40204  0.00000


      POSITION         DIRECTION 2           BORN EFFECTIVE CHARGE    (rigid.aug.   ionic)
 -----------------------------------------------------------------------------------------
      0.95120      1.64753      0.00476     0.00005  2.13469 -0.00003 ( -8.11469 12.00000)
      1.90240      0.00000      2.64717    -0.00005  2.13469 -0.00003 ( -8.11469 12.00000)
      0.95120      1.64753      2.01669     0.00002 -2.14027  0.00004 ( -0.62358  6.00000)
      1.90240      0.00000      4.65910    -0.00002 -2.14027  0.00004 ( -0.62358  6.00000)
 -----------------------------------------------------------------------------------------
    total drift (improves with k-points):   0.00000 -0.01116  0.00002




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


 Linear response to external field, progress :
  Direction:   3
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    4.27: real time    4.32
    LRDIAG:  cpu time    0.13: real time    0.13
    --------------------------------------------
      LOOP:  cpu time    6.27: real time    6.34

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.56205552
  ---------------------------------------------------
  free energy    TOTEN  =        -0.56205552 eV

  energy without entropy =       -0.56205552


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.05: real time    6.11
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.66: real time    8.76

 Broyden mixing:
  rms(total) = 0.11444E+00    rms(broyden)= 0.11441E+00
  rms(prec ) = 0.16908E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00000000
  -V(xc)+E(xc)   XCENC  =        -0.00000000
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.65461162
  ---------------------------------------------------
  free energy    TOTEN  =        -0.65461162 eV

  energy without entropy =       -0.65461162


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.09: real time    6.15
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.71: real time    8.79

 Broyden mixing:
  rms(total) = 0.65563E-01    rms(broyden)= 0.65562E-01
  rms(prec ) = 0.98977E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3169
  2.3169

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00695463
  -V(xc)+E(xc)   XCENC  =         0.00007522
  PAW double counting   =         0.00691726       -0.00747083
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.64322262
  ---------------------------------------------------
  free energy    TOTEN  =        -0.65065560 eV

  energy without entropy =       -0.65065560


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


   POT+DIJ:  cpu time    0.13: real time    0.14
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.17: real time    6.24
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.79: real time    8.88

 Broyden mixing:
  rms(total) = 0.50399E-02    rms(broyden)= 0.50395E-02
  rms(prec ) = 0.81912E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7925
  2.3456  1.2393

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04039408
  -V(xc)+E(xc)   XCENC  =         0.00044501
  PAW double counting   =         0.03857102       -0.04107711
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.62931333
  ---------------------------------------------------
  free energy    TOTEN  =        -0.67176848 eV

  energy without entropy =       -0.67176848


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.09: real time    6.15
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.70: real time    8.79

 Broyden mixing:
  rms(total) = 0.29395E-02    rms(broyden)= 0.29394E-02
  rms(prec ) = 0.44668E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8909
  2.6514  2.1717  0.8495

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04174989
  -V(xc)+E(xc)   XCENC  =         0.00046662
  PAW double counting   =         0.03942888       -0.04188861
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.62982207
  ---------------------------------------------------
  free energy    TOTEN  =        -0.67356506 eV

  energy without entropy =       -0.67356506


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


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.60: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.09: real time    6.15
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.70: real time    8.78

 Broyden mixing:
  rms(total) = 0.70571E-03    rms(broyden)= 0.70566E-03
  rms(prec ) = 0.10782E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7783
  2.8797  2.2614  1.1623  0.8099

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04288365
  -V(xc)+E(xc)   XCENC  =         0.00048737
  PAW double counting   =         0.04014351       -0.04253810
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63050818
  ---------------------------------------------------
  free energy    TOTEN  =        -0.67529906 eV

  energy without entropy =       -0.67529906


----------------------------------------- Iteration    3(   7)  ---------------------------------------


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    6.03: real time    6.09
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.64: real time    8.74

 Broyden mixing:
  rms(total) = 0.23195E-03    rms(broyden)= 0.23195E-03
  rms(prec ) = 0.39595E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7835
  2.8420  2.3676  1.8765  1.0287  0.8030

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04297490
  -V(xc)+E(xc)   XCENC  =         0.00049021
  PAW double counting   =         0.04019767       -0.04257910
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63068660
  ---------------------------------------------------
  free energy    TOTEN  =        -0.67555272 eV

  energy without entropy =       -0.67555272


----------------------------------------- Iteration    3(   8)  ---------------------------------------


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    5.96: real time    6.03
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.57: real time    8.67

 Broyden mixing:
  rms(total) = 0.44267E-04    rms(broyden)= 0.44263E-04
  rms(prec ) = 0.66060E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8345
  2.9475  2.3957  1.9218  1.9218  1.0186  0.8018

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04300053
  -V(xc)+E(xc)   XCENC  =         0.00049126
  PAW double counting   =         0.04019861       -0.04257743
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63076023
  ---------------------------------------------------
  free energy    TOTEN  =        -0.67564831 eV

  energy without entropy =       -0.67564831


----------------------------------------- Iteration    3(   9)  ---------------------------------------


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    4.99: real time    5.05
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    7.60: real time    7.69

 Broyden mixing:
  rms(total) = 0.13437E-04    rms(broyden)= 0.13437E-04
  rms(prec ) = 0.17916E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8107
  2.9835  2.5933  2.3837  1.8471  0.8018  0.9962  1.0696

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04300467
  -V(xc)+E(xc)   XCENC  =         0.00049138
  PAW double counting   =         0.04017685       -0.04255661
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63076683
  ---------------------------------------------------
  free energy    TOTEN  =        -0.67565988 eV

  energy without entropy =       -0.67565988


----------------------------------------- Iteration    3(  10)  ---------------------------------------


   POT+DIJ:  cpu time    0.13: real time    0.13
    HAMIL1:  cpu time    1.59: real time    1.61
    LRDIAG:  cpu time    0.14: real time    0.14
    LRDIIS:  cpu time    4.31: real time    4.35
    LRDIAG:  cpu time    0.13: real time    0.13
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    6.92: real time    6.98

 Broyden mixing:
  rms(total) = 0.23899E-05    rms(broyden)= 0.23897E-05
  rms(prec ) = 0.39153E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8814
  3.1275  2.7099  2.2306  2.2306  1.9260  0.8019  1.0373  0.9876

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.04300422
  -V(xc)+E(xc)   XCENC  =         0.00049136
  PAW double counting   =         0.04017045       -0.04255073
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.63076550
  ---------------------------------------------------
  free energy    TOTEN  =        -0.67565864 eV

  energy without entropy =       -0.67565864


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


 change of polarisation eV/A/(eV/A) component  3 :    -0.159    -0.025     1.283
 dielectric tensor                  component  3 :    -0.581    -0.093     5.673


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


    FORLOC:  cpu time    0.01: real time    0.01
    FORNL :  cpu time    0.97: real time    0.97
    STRESS:  cpu time    2.02: real time    2.04
    FORCOR:  cpu time    0.06: real time    0.06
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    0.97: real time    0.98
    STRESS:  cpu time    2.02: real time    2.04
    FORCOR:  cpu time    0.07: real time    0.07
    FORNLD:  cpu time    1.44: real time    1.45

 PIEZOELECTRIC TENSOR FIELD DIRECTION 3  (e Angst)
 -----------------------------------------------------------------------------
     1.19427 -0.00000 -0.00000           (  0.04716 -0.00000 -0.00000)
    -0.00000  1.19427  0.00000           ( -0.00000  0.04716 -0.00000)
    -0.00000 -0.00000 -2.41918           ( -0.00000 -0.00000 -0.11208)

 PIEZOELECTRIC TENSOR FIELD DIRECTION 3  (C/m^2)
 -----------------------------------------------------------------------------
     0.38506 -0.00000 -0.00000
    -0.00000  0.38506  0.00000
    -0.00000 -0.00000 -0.77999


      POSITION         DIRECTION 3           BORN EFFECTIVE CHARGE    (rigid.aug.   ionic)
 -----------------------------------------------------------------------------------------
      0.95120      1.64753      0.00476     0.00000  0.00000  2.17943 ( -8.11469 12.00000)
      1.90240      0.00000      2.64717    -0.00000  0.00000  2.17943 ( -8.11469 12.00000)
      0.95120      1.64753      2.01669    -0.00000  0.00000 -2.18486 ( -0.62358  6.00000)
      1.90240      0.00000      4.65910     0.00000  0.00000 -2.18486 ( -0.62358  6.00000)
 -----------------------------------------------------------------------------------------
    total drift (improves with k-points):   0.00000  0.00000 -0.01086




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


  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


 MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)
 ------------------------------------------------------
           5.738971     0.000000     0.000000
           0.000000     5.738971     0.000000
          -0.000000     0.000000     5.673464
 ------------------------------------------------------



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


 Linear response:
   Degrees of freedom DOF   =            4
 Linear response progress:
  Degree of freedom:   1/  4
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  2 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_1h.


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


   POT+DIJ:  cpu time    0.30: real time    0.31
    HAMIL1:  cpu time    5.42: real time    5.47
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   15.37: real time   15.51
    LRDIAG:  cpu time    0.42: real time    0.43
    --------------------------------------------
      LOOP:  cpu time   21.94: real time   22.15

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00676840
  -V(xc)+E(xc)   XCENC  =         0.00007174
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20358100
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21027766 eV

  energy without entropy =       -0.21027766


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


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.42: real time    5.47
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   18.17: real time   18.28
    LRDIAG:  cpu time    0.43: real time    0.43
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   26.66: real time   26.82

 Broyden mixing:
  rms(total) = 0.89929E+00    rms(broyden)= 0.89921E+00
  rms(prec ) = 0.95939E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00676840
  -V(xc)+E(xc)   XCENC  =         0.00007174
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.20219323
  ---------------------------------------------------
  free energy    TOTEN  =        -0.20888989 eV

  energy without entropy =       -0.20888989


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


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.47: real time    5.48
    LRDIAG:  cpu time    0.42: real time    0.43
    LRDIIS:  cpu time   21.24: real time   21.27
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   29.77: real time   29.82

 Broyden mixing:
  rms(total) = 0.53495E+00    rms(broyden)= 0.53494E+00
  rms(prec ) = 0.57172E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4594
  2.4594

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00628090
  -V(xc)+E(xc)   XCENC  =         0.00006599
  PAW double counting   =         0.00019251       -0.00019801
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.20222406
  ---------------------------------------------------
  free energy    TOTEN  =        -0.20844447 eV

  energy without entropy =       -0.20844447


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


   POT+DIJ:  cpu time    0.31: real time    0.31
    HAMIL1:  cpu time    5.47: real time    5.48
    LRDIAG:  cpu time    0.43: real time    0.43
    LRDIIS:  cpu time   19.75: real time   19.78
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   28.28: real time   28.33

 Broyden mixing:
  rms(total) = 0.25516E-01    rms(broyden)= 0.25512E-01
  rms(prec ) = 0.40109E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2048
  2.5301  1.8796

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00559512
  -V(xc)+E(xc)   XCENC  =         0.00005778
  PAW double counting   =         0.00103781       -0.00106336
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20227333
  ---------------------------------------------------
  free energy    TOTEN  =        -0.20783623 eV

  energy without entropy =       -0.20783623


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


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.47: real time    5.48
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   21.76: real time   21.79
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   30.28: real time   30.33

 Broyden mixing:
  rms(total) = 0.50414E-02    rms(broyden)= 0.50406E-02
  rms(prec ) = 0.76284E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9221
  1.1116  2.4897  2.1649

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00552580
  -V(xc)+E(xc)   XCENC  =         0.00005687
  PAW double counting   =         0.00104903       -0.00107349
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.20228515
  ---------------------------------------------------
  free energy    TOTEN  =        -0.20777855 eV

  energy without entropy =       -0.20777855


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


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.48: real time    5.49
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   21.91: real time   21.95
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   30.44: real time   30.50

 Broyden mixing:
  rms(total) = 0.21212E-02    rms(broyden)= 0.21211E-02
  rms(prec ) = 0.34400E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0018
  0.9827  2.5870  2.5154  1.9220

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00551660
  -V(xc)+E(xc)   XCENC  =         0.00005676
  PAW double counting   =         0.00104406       -0.00106815
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20228851
  ---------------------------------------------------
  free energy    TOTEN  =        -0.20777245 eV

  energy without entropy =       -0.20777245


----------------------------------------- Iteration    4(   7)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.47: real time    5.48
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   20.81: real time   20.86
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   29.33: real time   29.40

 Broyden mixing:
  rms(total) = 0.37723E-03    rms(broyden)= 0.37716E-03
  rms(prec ) = 0.58424E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7937
  2.6633  2.4739  1.9353  0.9480  0.9480

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00550948
  -V(xc)+E(xc)   XCENC  =         0.00005668
  PAW double counting   =         0.00104451       -0.00106848
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.20229132
  ---------------------------------------------------
  free energy    TOTEN  =        -0.20776808 eV

  energy without entropy =       -0.20776808

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0000      0.00000
      2      -0.0000      0.00000
      3      -0.6284      0.00000
      4       0.6284      0.00000
      5      -0.0000      0.00000
      6      -0.1650      0.00000
      7       0.1650      0.00000
      8      -0.0000      0.00000
      9      -0.1697      0.00000
     10       0.1697      0.00000
     11      -0.1858      0.00000
     12       0.1858      0.00000
     13      -0.0000      0.00000
     14      -0.7417      0.00000
     15       0.7417      0.00000
     16      -0.0000      0.00000
     17      -0.1164      0.00000
     18       0.1164      0.00000
     19      -0.0000      0.00000
     20      -0.0000      0.00000
     21       0.0000      0.00000
     22      -1.8271      0.00000
     23       1.8270      0.00000
     24      -0.0000      0.00000
     25      -0.9582      0.00000
     26       0.9582      0.00000
     27       0.0000      0.00000
     28      -0.9868      0.00000
     29       0.9868      0.00000
     30      -0.0000      0.00000
     31      -0.6600      0.00000
     32       0.6600      0.00000
     33      -0.0000      0.00000
     34      -0.0000      0.00000
     35      -0.4521      0.00000
     36       0.4521      0.00000
     37      -0.0000      0.00000
     38      -0.7017      0.00000
     39       0.7017      0.00000
     40       0.0004      0.00000

 k-point   2 :       0.0909    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0055      0.00000
      2      -0.0020      0.00000
      3       0.5115      0.00000
      4      -0.6562      0.00000
      5      -0.0042      0.00000
      6       0.1441      0.00000
      7      -0.1995      0.00000
      8       0.1493      0.00000
      9       0.1577      0.00000
     10      -0.1390      0.00000
     11       0.1659      0.00000
     12      -0.2316      0.00000
     13       0.0161      0.00000
     14       0.8271      0.00000
     15      -0.6498      0.00000
     16      -0.1539      0.00000
     17       0.0351      0.00000
     18       0.1351      0.00000
     19      -0.0003      0.00000
     20      -0.0075      0.00000
     21       0.0030      0.00000
     22      -1.5572      0.00000
     23       1.6676      0.00000
     24      -0.9118      0.00000
     25       0.0994      0.00000
     26       1.0094      0.00000
     27       0.4785      0.00000
     28      -0.5869      0.00000
     29      -1.3581      0.00000
     30       1.2514      0.00000
     31      -0.3349      0.00000
     32       0.2847      0.00000
     33      -0.2840      0.00000
     34       0.3131      0.00000
     35       0.0839      0.00000
     36      -0.4380      0.00000
     37       0.6587      0.00000
     38       0.0331      0.00000
     39      -0.7113      0.00000
     40       0.5257      0.00000

 k-point   3 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0216      0.00000
      2      -0.0068      0.00000
      3       0.4151      0.00000
      4      -0.7270      0.00000
      5      -0.0807      0.00000
      6       0.1493      0.00000
      7      -0.3054      0.00000
      8       0.3468      0.00000
      9       0.1277      0.00000
     10      -0.0778      0.00000
     11       0.1279      0.00000
     12      -0.3965      0.00000
     13       0.0720      0.00000
     14       0.8322      0.00000
     15      -0.0209      0.00000
     16      -0.4187      0.00000
     17       0.1419      0.00000
     18       0.2073      0.00000
     19      -0.0169      0.00000
     20      -0.0453      0.00000
     21       0.0363      0.00000
     22      -1.3259      0.00000
     23      -0.8651      0.00000
     24       1.3027      0.00000
     25       0.7193      0.00000
     26       0.9463      0.00000
     27      -0.6698      0.00000
     28      -0.1977      0.00000
     29      -0.3400      0.00000
     30      -0.4562      0.00000
     31       1.0234      0.00000
     32      -0.6866      0.00000
     33       0.1007      0.00000
     34      -0.4730      0.00000
     35      -0.4079      0.00000
     36       1.2549      0.00000
     37      -0.2045      0.00000
     38       1.4733      0.00000
     39      -0.7204      0.00000
     40      -0.0805      0.00000

 k-point   4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0467      0.00000
      2      -0.0104      0.00000
      3       0.3439      0.00000
      4      -0.1305      0.00000
      5      -0.8018      0.00000
      6       0.1632      0.00000
      7      -0.4815      0.00000
      8       0.4521      0.00000
      9       0.0759      0.00000
     10      -0.0434      0.00000
     11       0.0975      0.00000
     12       0.1343      0.00000
     13      -0.5476      0.00000
     14       0.7673      0.00000
     15       0.1758      0.00000
     16      -0.1196      0.00000
     17       0.3366      0.00000
     18       0.3350      0.00000
     19      -0.0834      0.00000
     20      -0.1585      0.00000
     21       0.0580      0.00000
     22      -0.9922      0.00000
     23      -0.9210      0.00000
     24       0.5706      0.00000
     25       0.8315      0.00000
     26       0.7906      0.00000
     27      -1.1431      0.00000
     28       0.2647      0.00000
     29       0.5228      0.00000
     30      -0.0746      0.00000
     31      -0.9668      0.00000
     32      -1.0589      0.00000
     33       0.0789      0.00000
     34      -0.0561      0.00000
     35      -0.4271      0.00000
     36       1.3019      0.00000
     37       2.1598      0.00000
     38      -0.6289      0.00000
     39      -0.3326      0.00000
     40      -0.1928      0.00000

 k-point   5 :       0.3636    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0796      0.00000
      2      -0.0055      0.00000
      3       0.2420      0.00000
      4      -0.1616      0.00000
      5      -0.8419      0.00000
      6       0.2669      0.00000
      7      -0.6916      0.00000
      8       0.2003      0.00000
      9       0.1246      0.00000
     10      -0.0754      0.00000
     11       0.0775      0.00000
     12       0.1368      0.00000
     13       0.2386      0.00000
     14       0.0200      0.00000
     15       0.2073      0.00000
     16       0.1896      0.00000
     17       0.6622      0.00000
     18       0.4796      0.00000
     19      -0.2138      0.00000
     20      -0.3562      0.00000
     21      -0.4338      0.00000
     22      -0.0433      0.00000
     23      -0.9270      0.00000
     24       0.2696      0.00000
     25       0.3632      0.00000
     26       0.8109      0.00000
     27      -1.2931      0.00000
     28       1.0362      0.00000
     29       0.6137      0.00000
     30      -0.1096      0.00000
     31      -1.0237      0.00000
     32      -0.9321      0.00000
     33       0.3977      0.00000
     34      -0.6785      0.00000
     35      -0.6849      0.00000
     36      -0.2380      0.00000
     37       0.5199      0.00000
     38       0.0734      0.00000
     39       0.1884      0.00000
     40       1.4261      0.00000

 k-point   6 :       0.4545    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.1178      0.00000
      2       0.0151      0.00000
      3       0.0948      0.00000
      4      -0.1189      0.00000
      5      -0.8504      0.00000
      6       0.3815      0.00000
      7       0.0745      0.00000
      8      -0.8398      0.00000
      9       0.1165      0.00000
     10      -0.1458      0.00000
     11       0.0641      0.00000
     12       0.1489      0.00000
     13       1.1102      0.00000
     14      -0.1775      0.00000
     15      -0.6824      0.00000
     16       0.4155      0.00000
     17       1.0861      0.00000
     18       0.5789      0.00000
     19      -0.3832      0.00000
     20      -0.8174      0.00000
     21      -0.0028      0.00000
     22       0.1706      0.00000
     23      -0.8461      0.00000
     24       0.0794      0.00000
     25       0.2311      0.00000
     26       0.7252      0.00000
     27      -1.2388      0.00000
     28       1.3914      0.00000
     29      -0.4778      0.00000
     30       0.8893      0.00000
     31      -0.7685      0.00000
     32      -0.7673      0.00000
     33       0.0101      0.00000
     34      -1.3664      0.00000
     35      -0.2705      0.00000
     36      -0.2537      0.00000
     37       0.1823      0.00000
     38       0.4885      0.00000
     39       0.8201      0.00000
     40      -0.1504      0.00000

 k-point   7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0077      0.00000
      2      -0.0025      0.00000
      3       0.2853      0.00000
      4      -0.3556      0.00000
      5      -0.0133      0.00000
      6      -0.0465      0.00000
      7      -0.0975      0.00000
      8       0.1377      0.00000
      9       0.0839      0.00000
     10      -0.0578      0.00000
     11       0.0752      0.00000
     12      -0.1645      0.00000
     13       0.0278      0.00000
     14       0.4790      0.00000
     15      -0.0820      0.00000
     16      -0.2307      0.00000
     17       0.0360      0.00000
     18       0.0583      0.00000
     19      -0.0024      0.00000
     20      -0.0143      0.00000
     21       0.0175      0.00000
     22      -0.6253      0.00000
     23      -0.5221      0.00000
     24       0.9308      0.00000
     25       0.4061      0.00000
     26       0.0107      0.00000
     27       0.1783      0.00000
     28      -0.3969      0.00000
     29      -0.3168      0.00000
     30      -0.2470      0.00000
     31       0.2208      0.00000
     32       0.1015      0.00000
     33       0.2173      0.00000
     34      -0.1405      0.00000
     35      -0.1348      0.00000
     36      -0.0252      0.00000
     37       0.2853      0.00000
     38       0.4962      0.00000
     39      -0.2578      0.00000
     40      -0.0405      0.00000

 k-point   8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0276      0.00000
      2      -0.0072      0.00000
      3       0.3817      0.00000
      4      -0.4188      0.00000
      5      -0.2015      0.00000
      6      -0.1061      0.00000
      7      -0.2632      0.00000
      8       0.3059      0.00000
      9       0.0894      0.00000
     10      -0.0417      0.00000
     11       0.0805      0.00000
     12       0.0788      0.00000
     13      -0.3635      0.00000
     14       0.8087      0.00000
     15      -0.0791      0.00000
     16      -0.1503      0.00000
     17       0.1533      0.00000
     18       0.1811      0.00000
     19      -0.0385      0.00000
     20      -0.0836      0.00000
     21       0.0977      0.00000
     22      -0.9632      0.00000
     23      -0.6509      0.00000
     24       0.7630      0.00000
     25       0.6352      0.00000
     26       0.5554      0.00000
     27      -0.9950      0.00000
     28       0.4622      0.00000
     29      -0.2027      0.00000
     30       0.0025      0.00000
     31      -0.1098      0.00000
     32      -0.1402      0.00000
     33      -1.3160      0.00000
     34       0.4662      0.00000
     35      -0.1503      0.00000
     36       0.9076      0.00000
     37       0.7421      0.00000
     38       0.2498      0.00000
     39      -0.1544      0.00000
     40       0.0890      0.00000

 k-point   9 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0554      0.00000
      2      -0.0076      0.00000
      3       0.3317      0.00000
      4      -0.3033      0.00000
      5      -0.5018      0.00000
      6      -0.0219      0.00000
      7      -0.4546      0.00000
      8       0.2541      0.00000
      9       0.0670      0.00000
     10      -0.0345      0.00000
     11       0.0636      0.00000
     12       0.1883      0.00000
     13      -0.2891      0.00000
     14       0.5368      0.00000
     15       0.2251      0.00000
     16       0.0202      0.00000
     17       0.3541      0.00000
     18       0.3506      0.00000
     19      -0.1232      0.00000
     20      -0.1902      0.00000
     21      -0.0308      0.00000
     22      -0.6067      0.00000
     23      -0.9434      0.00000
     24       0.6976      0.00000
     25       0.3416      0.00000
     26       0.4712      0.00000
     27      -0.9961      0.00000
     28       0.9341      0.00000
     29      -0.0577      0.00000
     30       0.1919      0.00000
     31      -0.9599      0.00000
     32       0.2493      0.00000
     33      -0.9848      0.00000
     34       0.2737      0.00000
     35      -0.0750      0.00000
     36      -0.4751      0.00000
     37      -0.4265      0.00000
     38       0.3376      0.00000
     39       1.6783      0.00000
     40      -0.0840      0.00000

 k-point  10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0911      0.00000
      2       0.0053      0.00000
      3       0.2007      0.00000
      4      -0.1897      0.00000
      5      -0.7257      0.00000
      6       0.2672      0.00000
      7      -0.3246      0.00000
      8      -0.3968      0.00000
      9       0.0825      0.00000
     10      -0.0888      0.00000
     11       0.0504      0.00000
     12      -0.0651      0.00000
     13       1.1802      0.00000
     14      -0.3406      0.00000
     15      -0.0577      0.00000
     16       0.2039      0.00000
     17       0.7428      0.00000
     18       0.4872      0.00000
     19      -0.2632      0.00000
     20      -0.4909      0.00000
     21      -0.3438      0.00000
     22       0.1966      0.00000
     23      -0.8969      0.00000
     24       0.3706      0.00000
     25       0.1312      0.00000
     26       0.5537      0.00000
     27      -0.9668      0.00000
     28       1.2803      0.00000
     29      -0.3572      0.00000
     30       0.3979      0.00000
     31      -0.8034      0.00000
     32      -0.1726      0.00000
     33      -0.4379      0.00000
     34      -0.4586      0.00000
     35      -0.3304      0.00000
     36      -0.2412      0.00000
     37       0.2746      0.00000
     38      -0.0934      0.00000
     39       0.0542      0.00000
     40       0.9059      0.00000

 k-point  11 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.1199      0.00000
      2       0.0252      0.00000
      3       0.0939      0.00000
      4      -0.0760      0.00000
      5      -0.8359      0.00000
      6       0.4780      0.00000
      7      -0.2912      0.00000
      8      -0.6541      0.00000
      9       0.1254      0.00000
     10      -0.1944      0.00000
     11       0.0374      0.00000
     12       0.3383      0.00000
     13       0.9715      0.00000
     14       0.0909      0.00000
     15      -0.5850      0.00000
     16      -0.0276      0.00000
     17       1.0983      0.00000
     18       0.5427      0.00000
     19      -0.3817      0.00000
     20      -0.6616      0.00000
     21       0.0348      0.00000
     22       0.1111      0.00000
     23      -0.8217      0.00000
     24       0.3801      0.00000
     25      -0.2354      0.00000
     26       0.7272      0.00000
     27      -0.9339      0.00000
     28       1.3999      0.00000
     29      -0.3785      0.00000
     30       0.3465      0.00000
     31      -0.6664      0.00000
     32       0.6396      0.00000
     33      -1.0392      0.00000
     34      -1.1331      0.00000
     35      -0.0996      0.00000
     36      -0.2860      0.00000
     37      -0.0603      0.00000
     38       0.6614      0.00000
     39       0.3365      0.00000
     40      -0.6125      0.00000

 k-point  12 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0232      0.00000
      2      -0.0037      0.00000
      3       0.2211      0.00000
      4      -0.0816      0.00000
      5      -0.0164      0.00000
      6      -0.4295      0.00000
      7      -0.1799      0.00000
      8       0.0801      0.00000
      9       0.0566      0.00000
     10      -0.0233      0.00000
     11       0.0296      0.00000
     12       0.1413      0.00000
     13      -0.1768      0.00000
     14       0.5894      0.00000
     15       0.0302      0.00000
     16      -0.0383      0.00000
     17       0.0308      0.00000
     18       0.0783      0.00000
     19      -0.0536      0.00000
     20      -0.1454      0.00000
     21       0.2091      0.00000
     22      -0.3974      0.00000
     23      -0.4475      0.00000
     24       0.4770      0.00000
     25       0.0492      0.00000
     26       0.3732      0.00000
     27      -0.3510      0.00000
     28      -0.0217      0.00000
     29       0.5792      0.00000
     30      -0.6731      0.00000
     31      -0.1223      0.00000
     32      -0.2795      0.00000
     33       0.4938      0.00000
     34      -1.0202      0.00000
     35       0.7944      0.00000
     36      -0.0631      0.00000
     37       0.0765      0.00000
     38       0.1436      0.00000
     39       0.4138      0.00000
     40      -0.1931      0.00000

 k-point  13 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0509      0.00000
      2       0.0009      0.00000
      3       0.3824      0.00000
      4      -0.4537      0.00000
      5      -0.1449      0.00000
      6      -0.1307      0.00000
      7      -0.3132      0.00000
      8      -0.2176      0.00000
      9       0.0546      0.00000
     10      -0.0185      0.00000
     11       0.0192      0.00000
     12       0.0379      0.00000
     13       0.5870      0.00000
     14       0.0844      0.00000
     15       0.1196      0.00000
     16       0.0626      0.00000
     17       0.1023      0.00000
     18       0.3902      0.00000
     19      -0.1328      0.00000
     20      -0.1179      0.00000
     21      -0.2003      0.00000
     22      -0.1150      0.00000
     23      -1.0012      0.00000
     24       0.8915      0.00000
     25       0.0288      0.00000
     26       0.3129      0.00000
     27      -0.4705      0.00000
     28       0.4101      0.00000
     29       0.3972      0.00000
     30      -0.3524      0.00000
     31      -1.0386      0.00000
     32       0.3623      0.00000
     33       0.8080      0.00000
     34      -0.2795      0.00000
     35      -0.4891      0.00000
     36      -0.2721      0.00000
     37      -0.2072      0.00000
     38       0.1117      0.00000
     39       0.1180      0.00000
     40       0.4824      0.00000

 k-point  14 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0886      0.00000
      2       0.0243      0.00000
      3       0.1823      0.00000
      4      -0.7048      0.00000
      5      -0.0066      0.00000
      6       0.2875      0.00000
      7      -0.3151      0.00000
      8      -0.6576      0.00000
      9       0.0769      0.00000
     10      -0.1600      0.00000
     11       0.0931      0.00000
     12       0.3476      0.00000
     13       0.8981      0.00000
     14       0.0258      0.00000
     15       0.1411      0.00000
     16      -0.6015      0.00000
     17       0.6008      0.00000
     18       0.4955      0.00000
     19      -0.2511      0.00000
     20      -0.2362      0.00000
     21      -0.1664      0.00000
     22       0.0679      0.00000
     23      -0.7794      0.00000
     24       0.4170      0.00000
     25      -0.0070      0.00000
     26       0.4003      0.00000
     27      -0.4261      0.00000
     28       0.8502      0.00000
     29       0.0419      0.00000
     30      -0.4413      0.00000
     31      -0.6071      0.00000
     32       0.2956      0.00000
     33      -0.5030      0.00000
     34      -0.0109      0.00000
     35       0.2506      0.00000
     36       0.1502      0.00000
     37      -0.5679      0.00000
     38       0.0236      0.00000
     39       0.0132      0.00000
     40      -0.1840      0.00000

 k-point  15 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.0302      0.00000
      2       0.0089      0.00000
      3      -0.0007      0.00000
      4       0.0170      0.00000
      5      -0.1834      0.00000
      6       0.1291      0.00000
      7      -0.2817      0.00000
      8      -0.3298      0.00000
      9      -0.0071      0.00000
     10      -0.0410      0.00000
     11      -0.0031      0.00000
     12       0.2772      0.00000
     13       0.4202      0.00000
     14       0.1049      0.00000
     15       0.0151      0.00000
     16      -0.0801      0.00000
     17      -0.0246      0.00000
     18       0.2040      0.00000
     19      -0.0985      0.00000
     20      -0.0964      0.00000
     21       0.1407      0.00000
     22      -0.1308      0.00000
     23      -0.4554      0.00000
     24       0.3627      0.00000
     25      -0.0435      0.00000
     26       0.4971      0.00000
     27      -0.4361      0.00000
     28      -0.0369      0.00000
     29       0.5525      0.00000
     30      -0.4017      0.00000
     31      -0.0517      0.00000
     32      -0.6468      0.00000
     33       0.7445      0.00000
     34      -0.1808      0.00000
     35       0.3790      0.00000
     36      -0.2980      0.00000
     37       0.1321      0.00000
     38      -0.1659      0.00000
     39      -0.0899      0.00000
     40      -0.1261      0.00000

 k-point  16 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.0728      0.00000
      2       0.0457      0.00000
      3       0.0685      0.00000
      4      -0.4422      0.00000
      5       0.2334      0.00000
      6       0.2912      0.00000
      7      -0.3129      0.00000
      8      -0.8187      0.00000
      9       0.1498      0.00000
     10      -0.3547      0.00000
     11       0.6070      0.00000
     12       0.1804      0.00000
     13       0.7787      0.00000
     14      -0.0890      0.00000
     15      -0.1112      0.00000
     16      -0.8260      0.00000
     17       0.6062      0.00000
     18       0.3161      0.00000
     19      -0.2053      0.00000
     20      -0.0271      0.00000
     21       0.0328      0.00000
     22      -0.0267      0.00000
     23      -0.6312      0.00000
     24       0.4885      0.00000
     25      -0.3927      0.00000
     26       0.6059      0.00000
     27      -0.1816      0.00000
     28       1.1300      0.00000
     29      -0.9203      0.00000
     30      -0.1028      0.00000
     31       0.0708      0.00000
     32      -0.6919      0.00000
     33      -0.5718      0.00000
     34       1.6353      0.00000
     35       0.6559      0.00000
     36       0.4595      0.00000
     37      -1.4485      0.00000
     38      -0.4988      0.00000
     39       0.1205      0.00000
     40      -0.1171      0.00000

 k-point  17 :       0.0000    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0000      0.00000
      2      -0.0000      0.00000
      3      -0.5910      0.00000
      4       0.5910      0.00000
      5      -0.0000      0.00000
      6      -0.0000      0.00000
      7      -0.1903      0.00000
      8       0.1903      0.00000
      9      -0.1623      0.00000
     10       0.1623      0.00000
     11      -0.1441      0.00000
     12       0.1440      0.00000
     13      -0.0000      0.00000
     14      -0.6739      0.00000
     15       0.6739      0.00000
     16      -0.0000      0.00000
     17      -0.0669      0.00000
     18       0.0669      0.00000
     19      -0.0000      0.00000
     20      -0.0000      0.00000
     21      -0.0000      0.00000
     22      -1.7546      0.00000
     23       1.7546      0.00000
     24      -0.0000      0.00000
     25      -1.0324      0.00000
     26       1.0323      0.00000
     27       0.0000      0.00000
     28      -0.9320      0.00000
     29       0.9320      0.00000
     30      -0.0000      0.00000
     31      -0.5006      0.00000
     32       0.5006      0.00000
     33      -0.0000      0.00000
     34      -0.0000      0.00000
     35      -0.4019      0.00000
     36       0.4019      0.00000
     37      -0.4875      0.00000
     38       0.4875      0.00000
     39      -0.0000      0.00000
     40      -0.0000      0.00000

 k-point  18 :       0.0909    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0098      0.00000
      2       0.0025      0.00000
      3       0.7064      0.00000
      4      -0.6067      0.00000
      5      -0.3848      0.00000
      6      -0.2103      0.00000
      7      -0.2344      0.00000
      8       0.7752      0.00000
      9       0.1569      0.00000
     10      -0.1466      0.00000
     11       0.1309      0.00000
     12      -0.2105      0.00000
     13      -0.1418      0.00000
     14       0.8666      0.00000
     15      -0.2932      0.00000
     16      -0.5253      0.00000
     17       0.2159      0.00000
     18       0.0309      0.00000
     19      -0.0123      0.00000
     20       0.0385      0.00000
     21       0.0042      0.00000
     22      -1.5919      0.00000
     23       1.4682      0.00000
     24      -0.8351      0.00000
     25      -0.2402      0.00000
     26       1.3366      0.00000
     27       1.0760      0.00000
     28      -0.9645      0.00000
     29      -1.8514      0.00000
     30       1.6940      0.00000
     31      -0.7029      0.00000
     32       0.4847      0.00000
     33      -0.7340      0.00000
     34       0.4855      0.00000
     35       0.4784      0.00000
     36      -0.3400      0.00000
     37       2.0288      0.00000
     38      -0.4973      0.00000
     39      -1.2549      0.00000
     40      -0.0230      0.00000

 k-point  19 :       0.1818    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0292      0.00000
      2       0.0012      0.00000
      3       0.6304      0.00000
      4      -0.3609      0.00000
      5      -0.6627      0.00000
      6      -0.3182      0.00000
      7      -0.3573      0.00000
      8       1.0512      0.00000
      9       0.1213      0.00000
     10      -0.0973      0.00000
     11       0.1035      0.00000
     12      -0.2727      0.00000
     13      -0.3540      0.00000
     14       0.8943      0.00000
     15      -0.2120      0.00000
     16      -0.2755      0.00000
     17       0.4489      0.00000
     18       0.0854      0.00000
     19      -0.0164      0.00000
     20       0.0201      0.00000
     21       0.0075      0.00000
     22      -1.2284      0.00000
     23      -0.9207      0.00000
     24       1.0775      0.00000
     25      -0.3336      0.00000
     26       1.3573      0.00000
     27       0.3242      0.00000
     28      -0.6123      0.00000
     29      -0.0721      0.00000
     30       0.0363      0.00000
     31      -0.6317      0.00000
     32       0.3459      0.00000
     33      -0.6090      0.00000
     34      -0.3060      0.00000
     35      -0.2727      0.00000
     36       1.9664      0.00000
     37       1.5805      0.00000
     38      -0.5476      0.00000
     39      -0.6052      0.00000
     40      -0.0188      0.00000

 k-point  20 :       0.2727    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0562      0.00000
      2      -0.0007      0.00000
      3       0.5535      0.00000
      4      -0.3732      0.00000
      5      -0.7330      0.00000
      6      -0.2759      0.00000
      7      -0.5495      0.00000
      8       1.1830      0.00000
      9       0.0718      0.00000
     10      -0.0593      0.00000
     11       0.0825      0.00000
     12      -0.2777      0.00000
     13      -0.6002      0.00000
     14       0.8808      0.00000
     15      -0.0325      0.00000
     16       0.0080      0.00000
     17       0.6926      0.00000
     18       0.2271      0.00000
     19      -0.0724      0.00000
     20      -0.0977      0.00000
     21      -0.1029      0.00000
     22      -0.6606      0.00000
     23      -1.0879      0.00000
     24      -0.1815      0.00000
     25       0.7000      0.00000
     26       1.0715      0.00000
     27      -0.5227      0.00000
     28      -0.0625      0.00000
     29       1.1232      0.00000
     30      -0.6013      0.00000
     31      -0.8676      0.00000
     32      -0.7464      0.00000
     33       0.3034      0.00000
     34      -0.4139      0.00000
     35      -0.3547      0.00000
     36       1.5496      0.00000
     37      -0.6614      0.00000
     38       0.8365      0.00000
     39       0.6574      0.00000
     40      -0.5412      0.00000

 k-point  21 :       0.3636    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0878      0.00000
      2       0.0024      0.00000
      3       0.4412      0.00000
      4      -0.3613      0.00000
      5      -0.7921      0.00000
      6      -0.1487      0.00000
      7      -0.7532      0.00000
      8       0.9268      0.00000
      9       0.1931      0.00000
     10      -0.0706      0.00000
     11       0.0652      0.00000
     12      -0.2290      0.00000
     13       0.0546      0.00000
     14       0.1661      0.00000
     15      -0.0366      0.00000
     16       0.2758      0.00000
     17       0.9765      0.00000
     18       0.4036      0.00000
     19      -0.1827      0.00000
     20      -0.4457      0.00000
     21      -0.3967      0.00000
     22       0.1778      0.00000
     23      -1.1450      0.00000
     24      -0.0040      0.00000
     25       0.4302      0.00000
     26       0.8197      0.00000
     27      -1.0064      0.00000
     28       1.5973      0.00000
     29       0.4151      0.00000
     30      -0.5198      0.00000
     31      -0.9531      0.00000
     32      -0.7897      0.00000
     33       0.2229      0.00000
     34       0.0793      0.00000
     35      -0.7664      0.00000
     36      -0.8741      0.00000
     37       0.1252      0.00000
     38      -0.5349      0.00000
     39       0.2249      0.00000
     40       0.2506      0.00000

 k-point  22 :       0.4545    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.1166      0.00000
      2       0.0132      0.00000
      3       0.2173      0.00000
      4      -0.1743      0.00000
      5      -0.8328      0.00000
      6       0.0600      0.00000
      7       0.4172      0.00000
      8      -0.8638      0.00000
      9       0.1988      0.00000
     10      -0.1265      0.00000
     11       0.0525      0.00000
     12       0.0984      0.00000
     13       0.5418      0.00000
     14       0.0728      0.00000
     15      -0.5299      0.00000
     16       0.4435      0.00000
     17       1.1501      0.00000
     18       0.5430      0.00000
     19      -0.2947      0.00000
     20      -0.8053      0.00000
     21       0.0577      0.00000
     22       0.0961      0.00000
     23      -0.9494      0.00000
     24       0.0468      0.00000
     25       0.3046      0.00000
     26       0.6912      0.00000
     27      -1.0992      0.00000
     28       1.5047      0.00000
     29      -0.5265      0.00000
     30       0.7836      0.00000
     31      -0.7427      0.00000
     32      -1.0276      0.00000
     33      -0.6923      0.00000
     34       0.5379      0.00000
     35      -0.3135      0.00000
     36      -0.7903      0.00000
     37      -0.5251      0.00000
     38       0.0453      0.00000
     39       0.6191      0.00000
     40       0.7654      0.00000

 k-point  23 :       0.0909    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0139      0.00000
      2       0.0040      0.00000
      3       0.4675      0.00000
      4      -0.1503      0.00000
      5      -0.6351      0.00000
      6      -0.2764      0.00000
      7      -0.1264      0.00000
      8       0.7860      0.00000
      9       0.0951      0.00000
     10      -0.0844      0.00000
     11       0.0621      0.00000
     12      -0.1543      0.00000
     13      -0.2323      0.00000
     14       0.4516      0.00000
     15       0.0956      0.00000
     16      -0.4038      0.00000
     17       0.2767      0.00000
     18      -0.0122      0.00000
     19      -0.0076      0.00000
     20       0.0473      0.00000
     21       0.0133      0.00000
     22      -0.6604      0.00000
     23      -0.6184      0.00000
     24      -0.5547      0.00000
     25       1.2576      0.00000
     26       0.5466      0.00000
     27       0.8318      0.00000
     28      -0.7278      0.00000
     29      -0.0847      0.00000
     30      -0.8090      0.00000
     31       1.0237      0.00000
     32      -0.3881      0.00000
     33      -0.5300      0.00000
     34      -0.0520      0.00000
     35      -0.1578      0.00000
     36       0.7743      0.00000
     37       1.6161      0.00000
     38      -0.0923      0.00000
     39      -1.3576      0.00000
     40       0.3917      0.00000

 k-point  24 :       0.1818    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0365      0.00000
      2       0.0021      0.00000
      3       0.5570      0.00000
      4      -0.2476      0.00000
      5      -0.5395      0.00000
      6      -0.5481      0.00000
      7      -0.3040      0.00000
      8       1.0106      0.00000
      9       0.0978      0.00000
     10      -0.0701      0.00000
     11       0.0689      0.00000
     12      -0.2208      0.00000
     13      -0.4699      0.00000
     14       0.8948      0.00000
     15      -0.0932      0.00000
     16      -0.2040      0.00000
     17       0.1553      0.00000
     18       0.4032      0.00000
     19      -0.0371      0.00000
     20       0.0046      0.00000
     21       0.0186      0.00000
     22      -0.8313      0.00000
     23      -0.7728      0.00000
     24       0.0837      0.00000
     25       0.7586      0.00000
     26       0.2861      0.00000
     27      -0.0360      0.00000
     28       0.3960      0.00000
     29       0.0664      0.00000
     30      -0.7407      0.00000
     31      -0.1112      0.00000
     32      -0.5431      0.00000
     33       0.5869      0.00000
     34      -0.7098      0.00000
     35       0.2061      0.00000
     36       1.3006      0.00000
     37       0.3418      0.00000
     38       0.1606      0.00000
     39      -0.1596      0.00000
     40       0.1456      0.00000

 k-point  25 :       0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0650      0.00000
      2       0.0020      0.00000
      3       0.5070      0.00000
      4      -0.2862      0.00000
      5      -0.6881      0.00000
      6      -0.4593      0.00000
      7      -0.5109      0.00000
      8       1.0470      0.00000
      9       0.0843      0.00000
     10      -0.0393      0.00000
     11       0.0613      0.00000
     12      -0.2016      0.00000
     13      -0.3923      0.00000
     14       0.6097      0.00000
     15       0.0511      0.00000
     16       0.0849      0.00000
     17       0.3027      0.00000
     18       0.6542      0.00000
     19      -0.1132      0.00000
     20      -0.1426      0.00000
     21      -0.2095      0.00000
     22      -0.2861      0.00000
     23      -1.1444      0.00000
     24       0.4779      0.00000
     25       0.3397      0.00000
     26       0.0217      0.00000
     27      -0.2506      0.00000
     28       0.9649      0.00000
     29       0.3905      0.00000
     30      -0.4487      0.00000
     31      -0.8372      0.00000
     32       0.1276      0.00000
     33      -0.4824      0.00000
     34      -0.3277      0.00000
     35      -0.1968      0.00000
     36      -0.1833      0.00000
     37       0.2493      0.00000
     38       0.7292      0.00000
     39      -0.1282      0.00000
     40      -0.4139      0.00000

 k-point  26 :       0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0965      0.00000
      2       0.0102      0.00000
      3       0.3502      0.00000
      4      -0.2136      0.00000
      5      -0.8249      0.00000
      6      -0.0615      0.00000
      7       0.4203      0.00000
      8      -0.6347      0.00000
      9       0.1971      0.00000
     10      -0.0899      0.00000
     11       0.0580      0.00000
     12      -0.1097      0.00000
     13       0.5264      0.00000
     14       0.0417      0.00000
     15      -0.1857      0.00000
     16       0.1734      0.00000
     17       0.7833      0.00000
     18       0.6190      0.00000
     19      -0.2154      0.00000
     20      -0.5477      0.00000
     21      -0.1762      0.00000
     22       0.1797      0.00000
     23      -1.0363      0.00000
     24       0.5164      0.00000
     25      -0.0450      0.00000
     26       0.2057      0.00000
     27      -0.6148      0.00000
     28       1.4403      0.00000
     29       0.2400      0.00000
     30      -0.2700      0.00000
     31      -0.7067      0.00000
     32      -0.3600      0.00000
     33      -0.2991      0.00000
     34      -0.6882      0.00000
     35       0.1573      0.00000
     36      -0.3887      0.00000
     37      -0.3064      0.00000
     38      -0.1118      0.00000
     39       0.3378      0.00000
     40       0.7617      0.00000

 k-point  27 :       0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.1106      0.00000
      2       0.0151      0.00000
      3       0.0767      0.00000
      4       0.0617      0.00000
      5      -0.8201      0.00000
      6       0.3896      0.00000
      7      -0.2045      0.00000
      8      -0.7652      0.00000
      9       0.1183      0.00000
     10      -0.1581      0.00000
     11       0.0283      0.00000
     12       0.2820      0.00000
     13       0.6172      0.00000
     14       0.1389      0.00000
     15      -0.0630      0.00000
     16      -0.0769      0.00000
     17       0.8849      0.00000
     18       0.5973      0.00000
     19      -0.2845      0.00000
     20      -0.6139      0.00000
     21      -0.0856      0.00000
     22       0.0948      0.00000
     23      -0.7385      0.00000
     24       0.3674      0.00000
     25      -0.2885      0.00000
     26       0.6134      0.00000
     27      -0.7864      0.00000
     28       1.3060      0.00000
     29       0.2101      0.00000
     30      -0.2778      0.00000
     31      -0.5380      0.00000
     32       0.1847      0.00000
     33      -0.7191      0.00000
     34      -0.9543      0.00000
     35      -0.1641      0.00000
     36       0.0998      0.00000
     37      -0.3493      0.00000
     38       0.1618      0.00000
     39       0.5811      0.00000
     40       0.1344      0.00000

 k-point  28 :       0.1818    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0332      0.00000
      2       0.0067      0.00000
      3       0.3203      0.00000
      4       0.0968      0.00000
      5      -0.3161      0.00000
      6      -0.8767      0.00000
      7      -0.1769      0.00000
      8       0.8084      0.00000
      9       0.0768      0.00000
     10      -0.0191      0.00000
     11       0.0379      0.00000
     12      -0.1107      0.00000
     13      -0.3840      0.00000
     14       0.2375      0.00000
     15       0.5036      0.00000
     16      -0.2173      0.00000
     17      -0.0322      0.00000
     18       0.3958      0.00000
     19      -0.0645      0.00000
     20       0.0231      0.00000
     21       0.0751      0.00000
     22      -0.3756      0.00000
     23      -0.1278      0.00000
     24      -0.2709      0.00000
     25       0.0910      0.00000
     26      -0.0483      0.00000
     27       0.0788      0.00000
     28       0.5040      0.00000
     29       0.1168      0.00000
     30      -0.6158      0.00000
     31       0.0045      0.00000
     32      -0.5536      0.00000
     33       0.7764      0.00000
     34      -0.5757      0.00000
     35       0.1182      0.00000
     36       0.8496      0.00000
     37      -0.4853      0.00000
     38      -0.0274      0.00000
     39       0.0932      0.00000
     40      -0.0351      0.00000

 k-point  29 :       0.2727    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0603      0.00000
      2       0.0102      0.00000
      3       0.4572      0.00000
      4      -0.1471      0.00000
      5      -0.6637      0.00000
      6      -0.4361      0.00000
      7       0.5688      0.00000
      8      -0.3284      0.00000
      9       0.0729      0.00000
     10      -0.0350      0.00000
     11       0.0463      0.00000
     12      -0.0885      0.00000
     13       0.1734      0.00000
     14       0.3218      0.00000
     15       0.0637      0.00000
     16      -0.1404      0.00000
     17       0.0383      0.00000
     18       0.6846      0.00000
     19      -0.1349      0.00000
     20      -0.0831      0.00000
     21      -0.1287      0.00000
     22      -0.0862      0.00000
     23      -0.8520      0.00000
     24       0.5361      0.00000
     25      -0.0344      0.00000
     26      -0.0920      0.00000
     27      -0.2129      0.00000
     28       0.8516      0.00000
     29       0.3064      0.00000
     30      -0.0833      0.00000
     31      -0.9173      0.00000
     32      -0.4721      0.00000
     33       0.7946      0.00000
     34      -0.2967      0.00000
     35      -0.4936      0.00000
     36       0.5156      0.00000
     37      -0.3942      0.00000
     38       0.1276      0.00000
     39      -0.0309      0.00000
     40       0.3936      0.00000

 k-point  30 :       0.3636    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0894      0.00000
      2       0.0247      0.00000
      3       0.2410      0.00000
      4       0.0217      0.00000
      5      -0.7267      0.00000
      6       0.0321      0.00000
      7       0.0887      0.00000
      8      -0.7291      0.00000
      9       0.1743      0.00000
     10      -0.1272      0.00000
     11       0.1556      0.00000
     12       0.0811      0.00000
     13       0.5274      0.00000
     14       0.1971      0.00000
     15       0.2126      0.00000
     16      -0.5842      0.00000
     17       0.3271      0.00000
     18       0.8188      0.00000
     19      -0.1765      0.00000
     20      -0.4571      0.00000
     21       0.0860      0.00000
     22       0.0436      0.00000
     23      -0.6828      0.00000
     24       0.3246      0.00000
     25      -0.0509      0.00000
     26       0.1238      0.00000
     27      -0.3621      0.00000
     28       1.0697      0.00000
     29      -0.0321      0.00000
     30      -0.0389      0.00000
     31      -0.7312      0.00000
     32      -0.1951      0.00000
     33      -0.4350      0.00000
     34       0.1777      0.00000
     35      -0.2048      0.00000
     36      -0.0737      0.00000
     37       0.2126      0.00000
     38       0.2005      0.00000
     39       0.0024      0.00000
     40      -0.4423      0.00000

 k-point  31 :       0.2727    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0400      0.00000
      2       0.0187      0.00000
      3       0.1736      0.00000
      4       0.0422      0.00000
      5      -0.3583      0.00000
      6      -0.2753      0.00000
      7      -0.1286      0.00000
      8       0.2212      0.00000
      9      -0.0174      0.00000
     10      -0.0272      0.00000
     11       0.0953      0.00000
     12      -0.0195      0.00000
     13       0.1713      0.00000
     14       0.4087      0.00000
     15      -0.2432      0.00000
     16      -0.1785      0.00000
     17      -0.1038      0.00000
     18       0.4681      0.00000
     19      -0.1322      0.00000
     20      -0.0953      0.00000
     21       0.3246      0.00000
     22      -0.0725      0.00000
     23      -0.1683      0.00000
     24      -0.1810      0.00000
     25      -0.1562      0.00000
     26       0.3467      0.00000
     27      -0.2397      0.00000
     28       0.4287      0.00000
     29      -0.2945      0.00000
     30       0.2638      0.00000
     31      -0.5158      0.00000
     32      -0.8074      0.00000
     33       0.9142      0.00000
     34       0.2064      0.00000
     35      -0.0049      0.00000
     36       0.2772      0.00000
     37      -0.2214      0.00000
     38       0.2294      0.00000
     39       0.0024      0.00000
     40      -0.5605      0.00000

 k-point  32 :       0.3636    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0650      0.00000
      2       0.0377      0.00000
      3       0.1326      0.00000
      4      -0.4960      0.00000
      5       0.2819      0.00000
      6       0.1961      0.00000
      7      -0.2338      0.00000
      8      -0.7727      0.00000
      9       0.2105      0.00000
     10      -0.0619      0.00000
     11       0.2716      0.00000
     12       0.0685      0.00000
     13       0.5439      0.00000
     14      -0.0225      0.00000
     15       0.0034      0.00000
     16      -0.5970      0.00000
     17       0.1397      0.00000
     18       0.6103      0.00000
     19      -0.1082      0.00000
     20      -0.1231      0.00000
     21      -0.0556      0.00000
     22       0.0451      0.00000
     23      -0.3506      0.00000
     24       0.3168      0.00000
     25      -0.2894      0.00000
     26       0.3218      0.00000
     27      -0.1201      0.00000
     28       0.5012      0.00000
     29      -0.6305      0.00000
     30       0.5722      0.00000
     31      -0.2213      0.00000
     32      -0.6785      0.00000
     33      -0.5116      0.00000
     34       1.1834      0.00000
     35       0.0636      0.00000
     36      -0.2801      0.00000
     37       0.1960      0.00000
     38      -0.1338      0.00000
     39      -0.2541      0.00000
     40      -0.0345      0.00000

 k-point  33 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0000      0.00000
      2      -0.0000      0.00000
      3      -0.0000      0.00000
      4      -0.0000      0.00000
      5      -0.4945      0.00000
      6       0.4944      0.00000
      7      -0.2640      0.00000
      8       0.2639      0.00000
      9      -0.1303      0.00000
     10       0.1302      0.00000
     11      -0.0449      0.00000
     12       0.0449      0.00000
     13      -0.0000      0.00000
     14      -0.0000      0.00000
     15      -0.4978      0.00000
     16       0.4977      0.00000
     17      -0.0728      0.00000
     18       0.0728      0.00000
     19      -0.0000      0.00000
     20      -0.0000      0.00000
     21      -0.0000      0.00000
     22      -0.0000      0.00000
     23      -1.5871      0.00000
     24       1.5871      0.00000
     25      -1.1990      0.00000
     26       1.1990      0.00000
     27      -0.0000      0.00000
     28       0.0000      0.00000
     29      -0.8030      0.00000
     30       0.8030      0.00000
     31      -0.0401      0.00000
     32       0.0401      0.00000
     33      -0.0000      0.00000
     34      -0.0880      0.00000
     35       0.0879      0.00000
     36      -0.0000      0.00000
     37      -0.0492      0.00000
     38       0.0492      0.00000
     39       0.0000      0.00000
     40      -0.0000      0.00000

 k-point  34 :       0.0909    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0125      0.00000
      2       0.0052      0.00000
      3       0.4128      0.00000
      4      -0.0570      0.00000
      5      -0.5032      0.00000
      6      -0.1488      0.00000
      7       0.6083      0.00000
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     17       0.2683      0.00000
     18      -0.1402      0.00000
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     21       0.0265      0.00000
     22      -0.1470      0.00000
     23      -2.0608      0.00000
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     25       1.2319      0.00000
     26       1.5191      0.00000
     27       1.0303      0.00000
     28      -1.7747      0.00000
     29      -1.0793      0.00000
     30       0.6727      0.00000
     31       0.4797      0.00000
     32       0.2815      0.00000
     33      -0.3837      0.00000
     34       0.0381      0.00000
     35       0.0084      0.00000
     36       1.0746      0.00000
     37       0.3427      0.00000
     38      -0.2204      0.00000
     39      -0.8947      0.00000
     40       0.2116      0.00000

 k-point  35 :       0.1818    0.0000    0.3333
  band No.  band energies     occupation 
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      3       0.6095      0.00000
      4      -0.1953      0.00000
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     11       0.0449      0.00000
     12      -0.1484      0.00000
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     15       0.2814      0.00000
     16      -0.0808      0.00000
     17       0.6136      0.00000
     18      -0.0794      0.00000
     19      -0.0412      0.00000
     20       0.0121      0.00000
     21      -0.0171      0.00000
     22      -0.4905      0.00000
     23      -1.8428      0.00000
     24      -0.0701      0.00000
     25       0.8663      0.00000
     26       1.5191      0.00000
     27       0.1818      0.00000
     28       0.0447      0.00000
     29      -0.7845      0.00000
     30      -0.1163      0.00000
     31       0.2748      0.00000
     32      -0.7887      0.00000
     33       0.5927      0.00000
     34      -0.3637      0.00000
     35       0.0358      0.00000
     36       1.3889      0.00000
     37      -0.4507      0.00000
     38       0.3984      0.00000
     39      -0.5408      0.00000
     40       0.4723      0.00000

 k-point  36 :       0.2727    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0589      0.00000
      2       0.0009      0.00000
      3       0.5990      0.00000
      4      -0.2541      0.00000
      5      -0.6356      0.00000
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     10      -0.0608      0.00000
     11       0.0456      0.00000
     12      -0.2012      0.00000
     13      -0.3860      0.00000
     14       0.4752      0.00000
     15       0.0884      0.00000
     16       0.1625      0.00000
     17       0.9008      0.00000
     18       0.0916      0.00000
     19      -0.0997      0.00000
     20      -0.0905      0.00000
     21      -0.2689      0.00000
     22      -0.2383      0.00000
     23      -1.2925      0.00000
     24      -0.4470      0.00000
     25       0.6211      0.00000
     26       1.1895      0.00000
     27      -0.2485      0.00000
     28       0.6661      0.00000
     29      -0.3105      0.00000
     30      -0.6036      0.00000
     31       0.0826      0.00000
     32       0.3382      0.00000
     33      -0.1081      0.00000
     34      -1.2585      0.00000
     35      -0.1789      0.00000
     36      -0.6892      0.00000
     37      -0.1013      0.00000
     38       2.1991      0.00000
     39       0.4576      0.00000
     40       0.1841      0.00000

 k-point  37 :       0.3636    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0845      0.00000
      2      -0.0024      0.00000
      3       0.5145      0.00000
      4      -0.2729      0.00000
      5      -0.7310      0.00000
      6      -0.3976      0.00000
      7       0.9722      0.00000
      8      -0.8099      0.00000
      9       0.1137      0.00000
     10      -0.0524      0.00000
     11       0.0335      0.00000
     12      -0.2017      0.00000
     13       0.0687      0.00000
     14       0.2462      0.00000
     15      -0.1405      0.00000
     16       0.3713      0.00000
     17       0.3075      0.00000
     18       1.0994      0.00000
     19      -0.1995      0.00000
     20      -0.3012      0.00000
     21      -0.4861      0.00000
     22       0.1539      0.00000
     23      -1.0834      0.00000
     24      -0.4392      0.00000
     25       0.5516      0.00000
     26       0.7645      0.00000
     27      -0.4777      0.00000
     28       0.8280      0.00000
     29       0.1669      0.00000
     30       0.0638      0.00000
     31      -0.5830      0.00000
     32       0.4101      0.00000
     33      -0.4318      0.00000
     34      -1.1838      0.00000
     35      -0.6309      0.00000
     36      -0.9149      0.00000
     37       0.2304      0.00000
     38       0.5577      0.00000
     39       0.9498      0.00000
     40       0.4001      0.00000

 k-point  38 :       0.4545    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0986      0.00000
      2      -0.0065      0.00000
      3       0.2995      0.00000
      4      -0.1185      0.00000
      5      -0.8140      0.00000
      6      -0.1566      0.00000
      7       0.5481      0.00000
      8      -0.8739      0.00000
      9      -0.0844      0.00000
     10       0.1930      0.00000
     11       0.0148      0.00000
     12       0.0418      0.00000
     13       0.1365      0.00000
     14       0.2379      0.00000
     15      -0.1443      0.00000
     16       0.4763      0.00000
     17       0.4873      0.00000
     18       1.0226      0.00000
     19      -0.2660      0.00000
     20      -0.5331      0.00000
     21      -0.0542      0.00000
     22      -0.0674      0.00000
     23      -0.9168      0.00000
     24      -0.4182      0.00000
     25       0.4413      0.00000
     26       0.6171      0.00000
     27      -0.4824      0.00000
     28       0.7479      0.00000
     29      -0.0935      0.00000
     30       0.5775      0.00000
     31      -0.5021      0.00000
     32       0.3748      0.00000
     33      -0.6359      0.00000
     34      -0.2123      0.00000
     35      -1.0314      0.00000
     36      -0.8331      0.00000
     37      -0.4360      0.00000
     38      -0.3135      0.00000
     39       0.6449      0.00000
     40       0.4496      0.00000

 k-point  39 :       0.0909    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0179      0.00000
      2       0.0079      0.00000
      3       0.4098      0.00000
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      7       0.5940      0.00000
      8      -0.1911      0.00000
      9       0.0871      0.00000
     10      -0.0768      0.00000
     11       0.0291      0.00000
     12      -0.0832      0.00000
     13      -0.2472      0.00000
     14       0.0879      0.00000
     15       0.3087      0.00000
     16      -0.1561      0.00000
     17       0.3198      0.00000
     18      -0.0933      0.00000
     19      -0.0253      0.00000
     20       0.0467      0.00000
     21       0.0358      0.00000
     22      -0.2007      0.00000
     23      -1.2110      0.00000
     24      -0.2157      0.00000
     25       0.8317      0.00000
     26       0.7938      0.00000
     27       0.7639      0.00000
     28      -0.8115      0.00000
     29      -0.1416      0.00000
     30      -1.0187      0.00000
     31       0.9061      0.00000
     32      -0.2365      0.00000
     33      -0.0320      0.00000
     34       0.1617      0.00000
     35       0.1979      0.00000
     36       0.3562      0.00000
     37       0.6960      0.00000
     38      -0.3739      0.00000
     39      -0.6759      0.00000
     40       0.2835      0.00000

 k-point  40 :       0.1818    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0408      0.00000
      2       0.0057      0.00000
      3       0.5252      0.00000
      4      -0.1486      0.00000
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      6      -0.5604      0.00000
      7       0.6956      0.00000
      8      -0.3113      0.00000
      9       0.0880      0.00000
     10      -0.0614      0.00000
     11       0.0418      0.00000
     12      -0.1496      0.00000
     13      -0.3814      0.00000
     14       0.3679      0.00000
     15       0.2548      0.00000
     16      -0.0662      0.00000
     17       0.5602      0.00000
     18       0.0656      0.00000
     19      -0.0691      0.00000
     20       0.0023      0.00000
     21      -0.0502      0.00000
     22      -0.4009      0.00000
     23      -1.3211      0.00000
     24       0.0921      0.00000
     25       0.6303      0.00000
     26       0.7233      0.00000
     27      -0.0442      0.00000
     28       0.2176      0.00000
     29      -0.1908      0.00000
     30       0.3435      0.00000
     31      -0.4813      0.00000
     32      -0.5543      0.00000
     33      -0.1243      0.00000
     34      -0.0885      0.00000
     35       0.4486      0.00000
     36       0.0630      0.00000
     37      -0.5148      0.00000
     38       0.7369      0.00000
     39       0.4482      0.00000
     40       0.1305      0.00000

 k-point  41 :       0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0663      0.00000
      2       0.0021      0.00000
      3       0.5183      0.00000
      4      -0.1927      0.00000
      5      -0.5482      0.00000
      6      -0.6791      0.00000
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      8      -0.3845      0.00000
      9       0.0492      0.00000
     10      -0.0066      0.00000
     11       0.0541      0.00000
     12      -0.1903      0.00000
     13      -0.1329      0.00000
     14       0.3671      0.00000
     15       0.0194      0.00000
     16       0.1659      0.00000
     17       0.2000      0.00000
     18       0.8301      0.00000
     19      -0.1494      0.00000
     20      -0.1041      0.00000
     21      -0.3354      0.00000
     22      -0.0731      0.00000
     23      -1.1095      0.00000
     24       0.1431      0.00000
     25       0.4088      0.00000
     26       0.0513      0.00000
     27       0.1413      0.00000
     28       0.4188      0.00000
     29       0.1480      0.00000
     30       0.4070      0.00000
     31      -0.4896      0.00000
     32      -0.5175      0.00000
     33       0.0019      0.00000
     34      -0.5386      0.00000
     35      -0.3064      0.00000
     36      -0.7073      0.00000
     37       0.4451      0.00000
     38       0.0039      0.00000
     39       1.0128      0.00000
     40       0.3927      0.00000

 k-point  42 :       0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0881      0.00000
      2       0.0004      0.00000
      3       0.4033      0.00000
      4      -0.1552      0.00000
      5      -0.7130      0.00000
      6      -0.3072      0.00000
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      8      -0.4797      0.00000
      9       0.0595      0.00000
     10       0.0281      0.00000
     11       0.0796      0.00000
     12      -0.1070      0.00000
     13       0.1743      0.00000
     14       0.2524      0.00000
     15       0.2071      0.00000
     16      -0.0774      0.00000
     17       0.3737      0.00000
     18       0.9894      0.00000
     19      -0.2247      0.00000
     20      -0.3306      0.00000
     21      -0.1813      0.00000
     22      -0.0234      0.00000
     23      -0.8852      0.00000
     24       0.0583      0.00000
     25       0.3086      0.00000
     26      -0.2225      0.00000
     27       0.0337      0.00000
     28       0.6205      0.00000
     29       0.3806      0.00000
     30       0.1929      0.00000
     31      -0.5249      0.00000
     32      -0.2591      0.00000
     33      -0.1814      0.00000
     34      -0.4759      0.00000
     35      -0.6306      0.00000
     36      -0.4236      0.00000
     37      -0.3551      0.00000
     38       0.0148      0.00000
     39       0.1445      0.00000
     40       0.6520      0.00000

 k-point  43 :       0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0849      0.00000
      2      -0.0122      0.00000
      3       0.0733      0.00000
      4       0.1536      0.00000
      5      -0.7580      0.00000
      6       0.1865      0.00000
      7      -0.0870      0.00000
      8      -0.7819      0.00000
      9      -0.0596      0.00000
     10       0.1195      0.00000
     11       0.0041      0.00000
     12       0.1672      0.00000
     13       0.3052      0.00000
     14       0.1868      0.00000
     15       0.3751      0.00000
     16       0.0505      0.00000
     17       0.4785      0.00000
     18       0.6853      0.00000
     19      -0.2147      0.00000
     20      -0.4754      0.00000
     21      -0.1884      0.00000
     22       0.0263      0.00000
     23      -0.6140      0.00000
     24      -0.0775      0.00000
     25      -0.0900      0.00000
     26       0.4026      0.00000
     27      -0.2897      0.00000
     28       0.6201      0.00000
     29       0.3396      0.00000
     30      -0.0600      0.00000
     31      -0.3774      0.00000
     32       0.0981      0.00000
     33      -0.3529      0.00000
     34      -0.8243      0.00000
     35      -0.4248      0.00000
     36      -0.1200      0.00000
     37      -0.2446      0.00000
     38      -0.3110      0.00000
     39       0.2235      0.00000
     40       0.7398      0.00000

 k-point  44 :       0.1818    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0384      0.00000
      2       0.0113      0.00000
      3       0.2451      0.00000
      4       0.0763      0.00000
      5      -0.3668      0.00000
      6      -0.4840      0.00000
      7       0.5161      0.00000
      8      -0.2537      0.00000
      9       0.0661      0.00000
     10       0.0173      0.00000
     11       0.0501      0.00000
     12      -0.1148      0.00000
     13      -0.1726      0.00000
     14       0.3269      0.00000
     15       0.1556      0.00000
     16      -0.1801      0.00000
     17      -0.1202      0.00000
     18       0.5974      0.00000
     19      -0.1210      0.00000
     20       0.0542      0.00000
     21       0.0094      0.00000
     22      -0.1832      0.00000
     23       0.3279      0.00000
     24      -0.7909      0.00000
     25       0.0059      0.00000
     26       0.2345      0.00000
     27      -0.2030      0.00000
     28       0.4022      0.00000
     29      -0.1760      0.00000
     30       0.3683      0.00000
     31      -0.2706      0.00000
     32      -0.5176      0.00000
     33       0.1579      0.00000
     34      -0.2409      0.00000
     35       0.8526      0.00000
     36       0.4109      0.00000
     37      -1.6435      0.00000
     38       0.7862      0.00000
     39       0.3939      0.00000
     40       0.0156      0.00000

 k-point  45 :       0.2727    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0606      0.00000
      2       0.0098      0.00000
      3       0.3297      0.00000
      4       0.0420      0.00000
      5      -0.6079      0.00000
      6      -0.3837      0.00000
      7       0.2761      0.00000
      8      -0.2754      0.00000
      9       0.0177      0.00000
     10       0.0747      0.00000
     11       0.0913      0.00000
     12      -0.1096      0.00000
     13       0.0758      0.00000
     14       0.3818      0.00000
     15       0.1171      0.00000
     16      -0.1414      0.00000
     17      -0.1137      0.00000
     18       0.8223      0.00000
     19      -0.2019      0.00000
     20       0.0023      0.00000
     21      -0.1414      0.00000
     22      -0.0623      0.00000
     23      -0.6188      0.00000
     24       0.1992      0.00000
     25       0.1410      0.00000
     26      -0.6553      0.00000
     27       0.4186      0.00000
     28       0.3767      0.00000
     29       0.2492      0.00000
     30       0.3186      0.00000
     31      -0.5249      0.00000
     32      -0.6278      0.00000
     33      -0.0905      0.00000
     34       0.3435      0.00000
     35      -0.5342      0.00000
     36       0.3758      0.00000
     37      -0.5087      0.00000
     38       0.1822      0.00000
     39       0.3262      0.00000
     40      -0.1934      0.00000

 k-point  46 :       0.3636    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0753      0.00000
      2       0.0096      0.00000
      3       0.2264      0.00000
      4       0.1435      0.00000
      5      -0.6101      0.00000
      6      -0.2054      0.00000
      7      -0.0036      0.00000
      8      -0.5964      0.00000
      9       0.0807      0.00000
     10       0.1168      0.00000
     11       0.1546      0.00000
     12      -0.0203      0.00000
     13       0.1741      0.00000
     14       0.3396      0.00000
     15       0.2445      0.00000
     16       0.0963      0.00000
     17      -0.2672      0.00000
     18       0.8347      0.00000
     19      -0.1725      0.00000
     20      -0.2600      0.00000
     21      -0.0018      0.00000
     22      -0.0792      0.00000
     23      -0.4381      0.00000
     24       0.1309      0.00000
     25       0.1233      0.00000
     26      -0.5635      0.00000
     27       0.0739      0.00000
     28       0.5924      0.00000
     29       0.1580      0.00000
     30       0.5605      0.00000
     31      -0.6516      0.00000
     32      -0.3751      0.00000
     33      -0.3152      0.00000
     34       0.0639      0.00000
     35      -0.5145      0.00000
     36       0.0335      0.00000
     37       0.1010      0.00000
     38       0.0246      0.00000
     39       0.0208      0.00000
     40       0.0681      0.00000

 k-point  47 :       0.2727    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0422      0.00000
      2       0.0205      0.00000
      3       0.3729      0.00000
      4      -0.0629      0.00000
      5      -0.3533      0.00000
      6      -0.2458      0.00000
      7      -0.5627      0.00000
      8       0.4019      0.00000
      9      -0.0364      0.00000
     10       0.1498      0.00000
     11       0.1493      0.00000
     12      -0.0371      0.00000
     13      -0.0332      0.00000
     14       0.4581      0.00000
     15      -0.1871      0.00000
     16       0.1073      0.00000
     17      -0.5128      0.00000
     18       0.6260      0.00000
     19      -0.2560      0.00000
     20       0.1039      0.00000
     21       0.0836      0.00000
     22       0.1894      0.00000
     23       0.0044      0.00000
     24      -0.4403      0.00000
     25       0.0509      0.00000
     26      -0.5017      0.00000
     27       0.0552      0.00000
     28       0.7210      0.00000
     29       0.0025      0.00000
     30      -0.2096      0.00000
     31      -0.1935      0.00000
     32      -0.1044      0.00000
     33      -0.0772      0.00000
     34       0.0561      0.00000
     35       0.0035      0.00000
     36       0.5159      0.00000
     37       0.0356      0.00000
     38      -0.0364      0.00000
     39      -0.0556      0.00000
     40      -0.4224      0.00000

 k-point  48 :       0.3636    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0435      0.00000
      2       0.0158      0.00000
      3       0.2177      0.00000
      4       0.2362      0.00000
      5      -0.4756      0.00000
      6      -0.0325      0.00000
      7      -0.2237      0.00000
      8      -0.5326      0.00000
      9       0.2259      0.00000
     10       0.1305      0.00000
     11       0.0595      0.00000
     12      -0.0212      0.00000
     13       0.3592      0.00000
     14       0.1082      0.00000
     15       0.0059      0.00000
     16       0.0457      0.00000
     17      -0.2170      0.00000
     18       0.3858      0.00000
     19      -0.0177      0.00000
     20      -0.2549      0.00000
     21      -0.1461      0.00000
     22       0.1788      0.00000
     23      -0.1579      0.00000
     24       0.1572      0.00000
     25      -0.2567      0.00000
     26       0.0178      0.00000
     27       0.0247      0.00000
     28       0.2256      0.00000
     29      -0.2605      0.00000
     30       0.3844      0.00000
     31      -0.1244      0.00000
     32      -0.1515      0.00000
     33      -0.2610      0.00000
     34       0.3216      0.00000
     35      -0.2346      0.00000
     36      -0.0103      0.00000
     37      -0.0731      0.00000
     38       0.5786      0.00000
     39      -0.3362      0.00000
     40      -0.1437      0.00000

 k-point  49 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0003      0.00000
      2       0.0003      0.00000
      3      -0.0001      0.00000
      4       0.0000      0.00000
      5      -0.8221      0.00000
      6      -0.0748      0.00000
      7       0.0747      0.00000
      8       0.8222      0.00000
      9      -0.0776      0.00000
     10      -0.0406      0.00000
     11       0.0406      0.00000
     12       0.0775      0.00000
     13       0.0001      0.00000
     14      -0.0001      0.00000
     15      -0.8435      0.00000
     16      -0.2910      0.00000
     17       0.2908      0.00000
     18       0.8437      0.00000
     19       0.0000      0.00000
     20      -0.0000      0.00000
     21       0.0000      0.00000
     22      -0.0000      0.00000
     23      -3.1027      0.00000
     24      -0.3181      0.00000
     25       0.3180      0.00000
     26       3.1028      0.00000
     27       0.0000      0.00000
     28      -0.0000      0.00000
     29      -1.4721      0.00000
     30      -0.3084      0.00000
     31       0.3084      0.00000
     32       1.4721      0.00000
     33      -0.0000      0.00000
     34       0.0000      0.00000
     35      -0.5390      0.00000
     36      -0.2095      0.00000
     37       0.2095      0.00000
     38       0.5390      0.00000
     39      -0.0000      0.00000
     40       0.0000      0.00000

 k-point  50 :       0.0909    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0139      0.00000
      2       0.0061      0.00000
      3      -0.1725      0.00000
      4       0.3561      0.00000
      5      -0.8796      0.00000
      6      -0.2741      0.00000
      7       0.0686      0.00000
      8       0.8268      0.00000
      9      -0.0686      0.00000
     10      -0.0352      0.00000
     11       0.0255      0.00000
     12       0.0735      0.00000
     13      -0.1209      0.00000
     14       0.1190      0.00000
     15      -0.2495      0.00000
     16       0.9006      0.00000
     17      -0.7502      0.00000
     18       0.3052      0.00000
     19      -0.0711      0.00000
     20       0.0395      0.00000
     21      -0.1089      0.00000
     22       0.0641      0.00000
     23      -2.6605      0.00000
     24       0.2191      0.00000
     25      -0.3082      0.00000
     26       2.9470      0.00000
     27      -1.0931      0.00000
     28       0.8980      0.00000
     29      -1.3214      0.00000
     30       0.3293      0.00000
     31      -0.6757      0.00000
     32       1.5180      0.00000
     33      -1.0904      0.00000
     34       0.9466      0.00000
     35      -0.2892      0.00000
     36       0.4635      0.00000
     37      -1.6674      0.00000
     38       1.7403      0.00000
     39      -0.3791      0.00000
     40       0.4945      0.00000

 k-point  51 :       0.1818    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0378      0.00000
      2       0.0084      0.00000
      3      -0.2030      0.00000
      4       0.5680      0.00000
      5      -0.5148      0.00000
      6       0.8697      0.00000
      7      -1.0468      0.00000
      8       0.0522      0.00000
      9      -0.0501      0.00000
     10      -0.0149      0.00000
     11      -0.0166      0.00000
     12       0.0533      0.00000
     13      -0.2690      0.00000
     14       0.2850      0.00000
     15      -0.1571      0.00000
     16       1.0244      0.00000
     17      -0.5157      0.00000
     18       0.3643      0.00000
     19      -0.1966      0.00000
     20       0.0839      0.00000
     21      -0.3850      0.00000
     22       0.0937      0.00000
     23      -1.9385      0.00000
     24       0.0515      0.00000
     25      -0.2747      0.00000
     26       2.5188      0.00000
     27      -0.9825      0.00000
     28       0.8620      0.00000
     29      -0.9488      0.00000
     30       0.3779      0.00000
     31      -0.4386      0.00000
     32       0.6956      0.00000
     33      -1.0056      0.00000
     34       0.5180      0.00000
     35      -0.5457      0.00000
     36       0.3160      0.00000
     37      -1.6455      0.00000
     38       2.5138      0.00000
     39      -0.6028      0.00000
     40       1.0724      0.00000

 k-point  52 :       0.2727    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0685      0.00000
      2       0.0093      0.00000
      3      -0.2203      0.00000
      4       0.5975      0.00000
      5      -0.6319      0.00000
      6       0.9680      0.00000
      7      -1.2920      0.00000
      8       0.0290      0.00000
      9      -0.0391      0.00000
     10       0.0154      0.00000
     11      -0.0847      0.00000
     12       0.0353      0.00000
     13      -0.3561      0.00000
     14       0.5555      0.00000
     15      -0.1626      0.00000
     16       1.1156      0.00000
     17      -0.2658      0.00000
     18       0.5203      0.00000
     19      -0.3920      0.00000
     20       0.1412      0.00000
     21      -0.7307      0.00000
     22       0.1522      0.00000
     23      -1.5075      0.00000
     24       0.0805      0.00000
     25      -0.2148      0.00000
     26       1.9542      0.00000
     27      -0.9936      0.00000
     28       0.8763      0.00000
     29      -0.5207      0.00000
     30       0.4623      0.00000
     31      -0.4439      0.00000
     32       0.6116      0.00000
     33      -1.8467      0.00000
     34       0.2729      0.00000
     35      -1.0127      0.00000
     36       0.2240      0.00000
     37      -0.8192      0.00000
     38       3.0678      0.00000
     39      -0.5025      0.00000
     40       0.6010      0.00000

 k-point  53 :       0.3636    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0979      0.00000
      2       0.0097      0.00000
      3      -0.2330      0.00000
      4       0.5314      0.00000
      5      -1.5295      0.00000
      6       0.0040      0.00000
      7      -0.6695      0.00000
      8       1.0451      0.00000
      9      -0.0449      0.00000
     10       0.0195      0.00000
     11      -0.1127      0.00000
     12       0.0567      0.00000
     13      -0.3522      0.00000
     14       0.7568      0.00000
     15      -0.3032      0.00000
     16       1.2420      0.00000
     17      -0.1207      0.00000
     18       0.7902      0.00000
     19      -0.6808      0.00000
     20       0.2166      0.00000
     21      -0.6320      0.00000
     22       0.1357      0.00000
     23      -1.5246      0.00000
     24       0.1624      0.00000
     25      -0.1432      0.00000
     26       1.4553      0.00000
     27      -1.0387      0.00000
     28       1.0079      0.00000
     29      -0.5459      0.00000
     30       0.5688      0.00000
     31      -0.2395      0.00000
     32       0.6768      0.00000
     33      -2.5092      0.00000
     34       0.8740      0.00000
     35      -1.5647      0.00000
     36       0.2387      0.00000
     37      -0.0829      0.00000
     38       1.4961      0.00000
     39      -0.0693      0.00000
     40       1.0172      0.00000

 k-point  54 :       0.4545    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.1160      0.00000
      2       0.0098      0.00000
      3      -0.2358      0.00000
      4       0.4600      0.00000
      5      -1.6612      0.00000
      6      -0.0131      0.00000
      7      -0.6571      0.00000
      8       0.9890      0.00000
      9      -0.0921      0.00000
     10       0.0201      0.00000
     11       0.0496      0.00000
     12       0.1036      0.00000
     13      -0.3970      0.00000
     14       0.7889      0.00000
     15      -0.0688      0.00000
     16       1.0180      0.00000
     17      -0.4089      0.00000
     18       1.3494      0.00000
     19      -0.9651      0.00000
     20       0.2902      0.00000
     21      -0.3876      0.00000
     22       0.1145      0.00000
     23      -1.5833      0.00000
     24       0.1382      0.00000
     25      -0.0911      0.00000
     26       1.1731      0.00000
     27      -1.0406      0.00000
     28       1.1301      0.00000
     29      -0.7022      0.00000
     30       0.5806      0.00000
     31      -0.1719      0.00000
     32       1.0445      0.00000
     33      -2.2643      0.00000
     34       1.1384      0.00000
     35      -2.0070      0.00000
     36       0.3119      0.00000
     37      -0.4616      0.00000
     38       0.1651      0.00000
     39       0.8364      0.00000
     40      -0.1800      0.00000

 k-point  55 :       0.0909    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0197      0.00000
      2       0.0091      0.00000
      3      -0.1564      0.00000
      4       0.3105      0.00000
      5      -0.2290      0.00000
      6       0.2352      0.00000
      7      -0.4333      0.00000
      8       0.1612      0.00000
      9      -0.0396      0.00000
     10       0.0095      0.00000
     11      -0.0201      0.00000
     12       0.0495      0.00000
     13      -0.1565      0.00000
     14       0.1815      0.00000
     15      -0.1372      0.00000
     16       0.5638      0.00000
     17      -0.3524      0.00000
     18       0.1688      0.00000
     19      -0.0909      0.00000
     20       0.0450      0.00000
     21      -0.1281      0.00000
     22       0.0810      0.00000
     23      -1.3462      0.00000
     24       0.3152      0.00000
     25      -0.1289      0.00000
     26       1.2792      0.00000
     27      -0.7811      0.00000
     28       0.6629      0.00000
     29      -0.4382      0.00000
     30       0.2623      0.00000
     31      -0.5844      0.00000
     32       0.5045      0.00000
     33      -0.6518      0.00000
     34       0.7773      0.00000
     35      -0.5654      0.00000
     36       0.3789      0.00000
     37      -1.6239      0.00000
     38       1.9528      0.00000
     39      -0.4398      0.00000
     40       0.3818      0.00000

 k-point  56 :       0.1818    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0460      0.00000
      2       0.0099      0.00000
      3      -0.1654      0.00000
      4       0.4703      0.00000
      5      -0.4002      0.00000
      6       0.2218      0.00000
      7      -0.5271      0.00000
      8       0.0334      0.00000
      9      -0.0114      0.00000
     10       0.0077      0.00000
     11      -0.0613      0.00000
     12       0.0456      0.00000
     13      -0.2619      0.00000
     14       0.4070      0.00000
     15      -0.1108      0.00000
     16       0.9043      0.00000
     17      -0.3985      0.00000
     18       0.3300      0.00000
     19      -0.2511      0.00000
     20       0.1000      0.00000
     21      -0.4753      0.00000
     22       0.1500      0.00000
     23      -1.4858      0.00000
     24       0.3578      0.00000
     25      -0.1684      0.00000
     26       1.5003      0.00000
     27      -0.8003      0.00000
     28       0.7002      0.00000
     29      -0.3767      0.00000
     30       0.2597      0.00000
     31      -0.5185      0.00000
     32       0.4664      0.00000
     33      -0.6539      0.00000
     34       0.1587      0.00000
     35      -0.7446      0.00000
     36       0.3570      0.00000
     37      -1.5603      0.00000
     38       2.6867      0.00000
     39      -0.6328      0.00000
     40       0.6554      0.00000

 k-point  57 :       0.2727    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0755      0.00000
      2       0.0102      0.00000
      3      -0.1845      0.00000
      4       0.5013      0.00000
      5      -0.4633      0.00000
      6       0.0397      0.00000
      7      -0.4942      0.00000
      8      -0.0734      0.00000
      9      -0.0313      0.00000
     10       0.0402      0.00000
     11      -0.1055      0.00000
     12       0.0557      0.00000
     13      -0.3113      0.00000
     14       0.6830      0.00000
     15       0.1172      0.00000
     16       0.6493      0.00000
     17      -0.0981      0.00000
     18       0.4749      0.00000
     19      -0.4783      0.00000
     20       0.1766      0.00000
     21      -0.6441      0.00000
     22       0.1659      0.00000
     23      -1.2379      0.00000
     24       0.3712      0.00000
     25      -0.1464      0.00000
     26       1.0314      0.00000
     27      -0.8745      0.00000
     28       0.8439      0.00000
     29      -0.1967      0.00000
     30       0.4080      0.00000
     31      -0.5188      0.00000
     32       0.4558      0.00000
     33      -1.2287      0.00000
     34       0.2006      0.00000
     35      -1.4239      0.00000
     36       0.4792      0.00000
     37      -0.2931      0.00000
     38       1.8076      0.00000
     39      -0.4456      0.00000
     40       0.7338      0.00000

 k-point  58 :       0.3636    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0991      0.00000
      2       0.0102      0.00000
      3      -0.1938      0.00000
      4       0.4623      0.00000
      5      -0.8356      0.00000
      6      -0.1431      0.00000
      7      -0.5277      0.00000
      8       0.2430      0.00000
      9      -0.0330      0.00000
     10       0.0719      0.00000
     11      -0.0637      0.00000
     12       0.0658      0.00000
     13      -0.3296      0.00000
     14       0.8048      0.00000
     15       0.0950      0.00000
     16       0.6767      0.00000
     17      -0.2803      0.00000
     18       1.0068      0.00000
     19      -0.7655      0.00000
     20       0.2742      0.00000
     21      -0.4929      0.00000
     22       0.1359      0.00000
     23      -1.0922      0.00000
     24       0.2804      0.00000
     25      -0.2255      0.00000
     26       0.6853      0.00000
     27      -0.9924      0.00000
     28       1.1541      0.00000
     29      -0.1169      0.00000
     30       0.5365      0.00000
     31      -0.4571      0.00000
     32       0.3707      0.00000
     33      -1.4838      0.00000
     34       0.5194      0.00000
     35      -1.4000      0.00000
     36       0.3261      0.00000
     37      -0.4127      0.00000
     38       0.2324      0.00000
     39       0.0721      0.00000
     40       1.4085      0.00000

 k-point  59 :       0.4545    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.1082      0.00000
      2       0.0102      0.00000
      3      -0.1938      0.00000
      4       0.4353      0.00000
      5      -1.0325      0.00000
      6      -0.1483      0.00000
      7      -0.5039      0.00000
      8       0.2516      0.00000
      9       0.0270      0.00000
     10       0.0688      0.00000
     11       0.0587      0.00000
     12       0.0713      0.00000
     13      -0.3998      0.00000
     14       0.8126      0.00000
     15       0.0624      0.00000
     16       0.8023      0.00000
     17      -0.3482      0.00000
     18       1.1338      0.00000
     19      -0.9325      0.00000
     20       0.3313      0.00000
     21      -0.3682      0.00000
     22       0.1280      0.00000
     23      -1.0530      0.00000
     24       0.2186      0.00000
     25      -0.3175      0.00000
     26       0.6057      0.00000
     27      -1.0412      0.00000
     28       1.3273      0.00000
     29      -0.1332      0.00000
     30       0.6028      0.00000
     31      -0.5663      0.00000
     32       0.4610      0.00000
     33      -1.2930      0.00000
     34       0.4935      0.00000
     35      -1.4451      0.00000
     36       0.1876      0.00000
     37      -0.3485      0.00000
     38       0.1049      0.00000
     39      -0.2217      0.00000
     40       0.7857      0.00000

 k-point  60 :       0.1818    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0411      0.00000
      2       0.0133      0.00000
      3      -0.0674      0.00000
      4       0.2152      0.00000
      5      -0.2585      0.00000
      6       0.2894      0.00000
      7      -0.5261      0.00000
      8      -0.0577      0.00000
      9       0.0387      0.00000
     10       0.0336      0.00000
     11      -0.1029      0.00000
     12       0.0924      0.00000
     13      -0.1265      0.00000
     14       0.4927      0.00000
     15      -0.0810      0.00000
     16       0.1995      0.00000
     17      -0.4215      0.00000
     18       0.6069      0.00000
     19      -0.2812      0.00000
     20       0.1134      0.00000
     21      -0.2322      0.00000
     22       0.1835      0.00000
     23      -1.0539      0.00000
     24       0.6733      0.00000
     25      -0.0719      0.00000
     26       0.3866      0.00000
     27      -0.8560      0.00000
     28       0.6960      0.00000
     29      -0.6844      0.00000
     30       0.6425      0.00000
     31      -0.0357      0.00000
     32       0.3656      0.00000
     33      -0.3074      0.00000
     34       0.0619      0.00000
     35      -0.4627      0.00000
     36       0.1937      0.00000
     37      -0.9442      0.00000
     38       1.1741      0.00000
     39      -0.3622      0.00000
     40       0.3203      0.00000

 k-point  61 :       0.2727    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0640      0.00000
      2       0.0123      0.00000
      3      -0.1022      0.00000
      4       0.3484      0.00000
      5      -0.3866      0.00000
      6       0.0454      0.00000
      7      -0.5696      0.00000
      8      -0.0718      0.00000
      9      -0.0264      0.00000
     10       0.1259      0.00000
     11      -0.0909      0.00000
     12       0.0940      0.00000
     13      -0.2081      0.00000
     14       0.7459      0.00000
     15      -0.1159      0.00000
     16       0.3742      0.00000
     17      -0.4380      0.00000
     18       0.8396      0.00000
     19      -0.5150      0.00000
     20       0.2305      0.00000
     21      -0.4077      0.00000
     22       0.2030      0.00000
     23      -0.8201      0.00000
     24       0.5896      0.00000
     25      -0.3324      0.00000
     26       0.3212      0.00000
     27      -0.9202      0.00000
     28       0.9734      0.00000
     29      -0.6147      0.00000
     30       0.7646      0.00000
     31      -0.3038      0.00000
     32       0.4290      0.00000
     33      -0.3915      0.00000
     34       0.0416      0.00000
     35      -1.1583      0.00000
     36       0.5141      0.00000
     37      -0.3775      0.00000
     38       0.1820      0.00000
     39      -0.0601      0.00000
     40       0.4418      0.00000

 k-point  62 :       0.3636    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0784      0.00000
      2       0.0119      0.00000
      3      -0.1169      0.00000
      4       0.4263      0.00000
      5      -0.5550      0.00000
      6      -0.1502      0.00000
      7      -0.5914      0.00000
      8      -0.1019      0.00000
      9       0.0343      0.00000
     10       0.2468      0.00000
     11      -0.0319      0.00000
     12       0.0568      0.00000
     13      -0.2905      0.00000
     14       0.8432      0.00000
     15      -0.0786      0.00000
     16       0.5027      0.00000
     17      -0.4670      0.00000
     18       0.9658      0.00000
     19      -0.7514      0.00000
     20       0.3763      0.00000
     21      -0.4200      0.00000
     22       0.1734      0.00000
     23      -0.6585      0.00000
     24       0.5075      0.00000
     25      -0.9345      0.00000
     26       0.4904      0.00000
     27      -1.0527      0.00000
     28       1.5105      0.00000
     29      -0.5398      0.00000
     30       0.8712      0.00000
     31      -0.5662      0.00000
     32       0.4080      0.00000
     33      -0.6849      0.00000
     34       0.2216      0.00000
     35      -1.0573      0.00000
     36       0.3178      0.00000
     37      -0.1965      0.00000
     38       0.1050      0.00000
     39       0.1288      0.00000
     40       0.5768      0.00000

 k-point  63 :       0.2727    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0396      0.00000
      2       0.0176      0.00000
      3      -0.1457      0.00000
      4       0.2969      0.00000
      5      -0.2022      0.00000
      6       0.0414      0.00000
      7      -0.6169      0.00000
      8       0.0632      0.00000
      9      -0.0260      0.00000
     10       0.2250      0.00000
     11      -0.0827      0.00000
     12       0.1032      0.00000
     13      -0.1622      0.00000
     14       0.6188      0.00000
     15      -0.1891      0.00000
     16       0.1326      0.00000
     17      -0.5064      0.00000
     18       0.6672      0.00000
     19      -0.5032      0.00000
     20       0.2592      0.00000
     21      -0.1142      0.00000
     22       0.3199      0.00000
     23      -0.6428      0.00000
     24       0.4943      0.00000
     25      -0.6033      0.00000
     26       0.3876      0.00000
     27      -0.8114      0.00000
     28       0.9247      0.00000
     29      -0.6374      0.00000
     30       0.5696      0.00000
     31       0.0293      0.00000
     32       0.3611      0.00000
     33      -0.4943      0.00000
     34       0.1286      0.00000
     35      -0.3009      0.00000
     36       0.3996      0.00000
     37      -0.4250      0.00000
     38       0.0792      0.00000
     39      -0.2140      0.00000
     40       0.2873      0.00000

 k-point  64 :       0.3636    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0447      0.00000
      2       0.0167      0.00000
      3      -0.1403      0.00000
      4       0.4516      0.00000
      5      -0.3915      0.00000
      6      -0.0483      0.00000
      7      -0.6920      0.00000
      8       0.0350      0.00000
      9       0.0557      0.00000
     10       0.3410      0.00000
     11      -0.0500      0.00000
     12       0.0270      0.00000
     13      -0.3080      0.00000
     14       0.7487      0.00000
     15      -0.1315      0.00000
     16       0.1741      0.00000
     17      -0.5124      0.00000
     18       0.7129      0.00000
     19      -0.7314      0.00000
     20       0.4695      0.00000
     21      -0.3707      0.00000
     22       0.2962      0.00000
     23      -0.3896      0.00000
     24       0.4888      0.00000
     25      -1.3970      0.00000
     26       0.6034      0.00000
     27      -0.9639      0.00000
     28       1.6802      0.00000
     29      -0.4561      0.00000
     30       0.5466      0.00000
     31      -0.1729      0.00000
     32       0.1702      0.00000
     33      -0.3144      0.00000
     34       0.1872      0.00000
     35      -0.2250      0.00000
     36       0.0033      0.00000
     37      -0.5402      0.00000
     38       0.0511      0.00000
     39       0.2105      0.00000
     40       0.6783      0.00000

 k-point  65 :      -0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.0028      0.00000
      2       0.0010      0.00000
      3      -0.2558      0.00000
      4       0.3281      0.00000
      5       0.0021      0.00000
      6      -0.0721      0.00000
      7       0.0997      0.00000
      8      -0.0747      0.00000
      9      -0.0789      0.00000
     10       0.0695      0.00000
     11      -0.0830      0.00000
     12       0.1158      0.00000
     13      -0.0081      0.00000
     14      -0.4136      0.00000
     15       0.3249      0.00000
     16       0.0770      0.00000
     17      -0.0176      0.00000
     18      -0.0675      0.00000
     19       0.0001      0.00000
     20       0.0038      0.00000
     21      -0.0015      0.00000
     22       0.7786      0.00000
     23      -0.8338      0.00000
     24       0.4559      0.00000
     25      -0.0497      0.00000
     26      -0.5047      0.00000
     27      -0.2392      0.00000
     28       0.2934      0.00000
     29       0.6791      0.00000
     30      -0.6257      0.00000
     31       0.1674      0.00000
     32      -0.1424      0.00000
     33       0.1420      0.00000
     34      -0.1566      0.00000
     35      -0.0419      0.00000
     36       0.2190      0.00000
     37      -0.3293      0.00000
     38      -0.0165      0.00000
     39       0.3556      0.00000
     40      -0.2628      0.00000

 k-point  66 :      -0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.0108      0.00000
      2       0.0034      0.00000
      3      -0.2076      0.00000
      4       0.3635      0.00000
      5       0.0403      0.00000
      6      -0.0747      0.00000
      7       0.1526      0.00000
      8      -0.1734      0.00000
      9      -0.0639      0.00000
     10       0.0389      0.00000
     11      -0.0640      0.00000
     12       0.1982      0.00000
     13      -0.0360      0.00000
     14      -0.4161      0.00000
     15       0.0104      0.00000
     16       0.2093      0.00000
     17      -0.0710      0.00000
     18      -0.1036      0.00000
     19       0.0085      0.00000
     20       0.0226      0.00000
     21      -0.0181      0.00000
     22       0.6629      0.00000
     23       0.4325      0.00000
     24      -0.6514      0.00000
     25      -0.3596      0.00000
     26      -0.4731      0.00000
     27       0.3349      0.00000
     28       0.0988      0.00000
     29       0.1700      0.00000
     30       0.2281      0.00000
     31      -0.5117      0.00000
     32       0.3433      0.00000
     33      -0.0504      0.00000
     34       0.2365      0.00000
     35       0.2040      0.00000
     36      -0.6274      0.00000
     37       0.1022      0.00000
     38      -0.7366      0.00000
     39       0.3601      0.00000
     40      -0.1185      0.00000

 k-point  67 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0025      0.00000
      2      -0.0007      0.00000
      3       0.0273      0.00000
      4       0.2314      0.00000
      5      -0.1676      0.00000
      6      -0.1854      0.00000
      7       0.0062      0.00000
      8      -0.0237      0.00000
      9       0.0399      0.00000
     10      -0.0010      0.00000
     11       0.0216      0.00000
     12       0.0315      0.00000
     13      -0.0411      0.00000
     14      -0.0258      0.00000
     15       0.3695      0.00000
     16      -0.1563      0.00000
     17      -0.0474      0.00000
     18      -0.0553      0.00000
     19      -0.0077      0.00000
     20      -0.0280      0.00000
     21       0.0481      0.00000
     22       0.0403      0.00000
     23      -0.3033      0.00000
     24      -0.0480      0.00000
     25       0.6015      0.00000
     26      -0.7577      0.00000
     27       0.7001      0.00000
     28      -0.3169      0.00000
     29      -0.0224      0.00000
     30       0.3267      0.00000
     31      -0.5426      0.00000
     32      -0.2677      0.00000
     33       0.7397      0.00000
     34       0.1233      0.00000
     35       0.0749      0.00000
     36      -0.3856      0.00000
     37       0.1975      0.00000
     38       0.6014      0.00000
     39      -0.4624      0.00000
     40      -0.5112      0.00000

 k-point  68 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.0154      0.00000
      2       0.0051      0.00000
      3      -0.5707      0.00000
      4       0.7112      0.00000
      5       0.0265      0.00000
      6       0.0929      0.00000
      7       0.1950      0.00000
      8      -0.2753      0.00000
      9      -0.1678      0.00000
     10       0.1156      0.00000
     11      -0.1504      0.00000
     12       0.3289      0.00000
     13      -0.0556      0.00000
     14      -0.9580      0.00000
     15       0.1640      0.00000
     16       0.4614      0.00000
     17      -0.0720      0.00000
     18      -0.1167      0.00000
     19       0.0048      0.00000
     20       0.0286      0.00000
     21      -0.0350      0.00000
     22       1.2505      0.00000
     23       1.0441      0.00000
     24      -1.8616      0.00000
     25      -0.8121      0.00000
     26      -0.0214      0.00000
     27      -0.3566      0.00000
     28       0.7938      0.00000
     29       0.6336      0.00000
     30       0.4939      0.00000
     31      -0.4416      0.00000
     32      -0.2031      0.00000
     33      -0.4347      0.00000
     34       0.2811      0.00000
     35       0.2697      0.00000
     36       0.0505      0.00000
     37      -0.5706      0.00000
     38      -0.9923      0.00000
     39       0.5156      0.00000
     40       0.0810      0.00000

 k-point  69 :      -0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0233      0.00000
      2       0.0052      0.00000
      3      -0.1719      0.00000
      4       0.0652      0.00000
      5       0.4009      0.00000
      6      -0.0816      0.00000
      7       0.2407      0.00000
      8      -0.2260      0.00000
      9      -0.0380      0.00000
     10       0.0217      0.00000
     11      -0.0488      0.00000
     12      -0.0672      0.00000
     13       0.2738      0.00000
     14      -0.3837      0.00000
     15      -0.0879      0.00000
     16       0.0598      0.00000
     17      -0.1683      0.00000
     18      -0.1675      0.00000
     19       0.0417      0.00000
     20       0.0793      0.00000
     21      -0.0290      0.00000
     22       0.4961      0.00000
     23       0.4605      0.00000
     24      -0.2853      0.00000
     25      -0.4158      0.00000
     26      -0.3953      0.00000
     27       0.5715      0.00000
     28      -0.1324      0.00000
     29      -0.2614      0.00000
     30       0.0373      0.00000
     31       0.4834      0.00000
     32       0.5294      0.00000
     33      -0.0395      0.00000
     34       0.0280      0.00000
     35       0.2135      0.00000
     36      -0.6509      0.00000
     37      -1.0799      0.00000
     38       0.3144      0.00000
     39       0.1663      0.00000
     40       0.0963      0.00000

 k-point  70 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0108      0.00000
      2       0.0014      0.00000
      3      -0.1288      0.00000
      4       0.4919      0.00000
      5      -0.0891      0.00000
      6      -0.2873      0.00000
      7       0.0918      0.00000
      8      -0.0643      0.00000
      9      -0.0171      0.00000
     10      -0.0092      0.00000
     11      -0.0102      0.00000
     12       0.0498      0.00000
     13       0.0324      0.00000
     14      -0.0674      0.00000
     15       0.2507      0.00000
     16      -0.0448      0.00000
     17      -0.2311      0.00000
     18      -0.1453      0.00000
     19       0.0111      0.00000
     20      -0.0663      0.00000
     21       0.1251      0.00000
     22       0.2371      0.00000
     23       0.2141      0.00000
     24      -0.4969      0.00000
     25       0.2508      0.00000
     26      -0.1910      0.00000
     27       0.5458      0.00000
     28      -0.8307      0.00000
     29      -0.1186      0.00000
     30       0.3646      0.00000
     31       0.0515      0.00000
     32      -0.3231      0.00000
     33       0.3327      0.00000
     34       0.4870      0.00000
     35       0.4790      0.00000
     36      -0.1356      0.00000
     37       0.3716      0.00000
     38       0.4116      0.00000
     39      -0.9524      0.00000
     40      -0.2486      0.00000

 k-point  71 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.0064      0.00000
      2       0.0000      0.00000
      3      -0.2987      0.00000
      4       0.6365      0.00000
      5      -0.0772      0.00000
      6      -0.4241      0.00000
      7      -0.1558      0.00000
      8       0.1675      0.00000
      9      -0.0630      0.00000
     10      -0.0934      0.00000
     11      -0.0172      0.00000
     12       0.0890      0.00000
     13       0.1313      0.00000
     14      -0.0023      0.00000
     15       0.3642      0.00000
     16      -0.0039      0.00000
     17      -0.0853      0.00000
     18      -0.1191      0.00000
     19      -0.0371      0.00000
     20      -0.1444      0.00000
     21       0.0415      0.00000
     22       0.1630      0.00000
     23       0.1887      0.00000
     24      -0.4585      0.00000
     25       0.1152      0.00000
     26       0.3270      0.00000
     27      -0.0985      0.00000
     28      -0.4818      0.00000
     29       0.5652      0.00000
     30      -0.3095      0.00000
     31       0.0546      0.00000
     32      -0.1390      0.00000
     33      -0.2662      0.00000
     34       0.6597      0.00000
     35       1.0071      0.00000
     36      -0.4524      0.00000
     37      -0.2621      0.00000
     38      -0.0132      0.00000
     39      -0.2356      0.00000
     40      -0.2828      0.00000

 k-point  72 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0300      0.00000
      2       0.0079      0.00000
      3      -0.4091      0.00000
      4       0.1873      0.00000
      5       0.3691      0.00000
      6       0.2915      0.00000
      7       0.2569      0.00000
      8      -0.2822      0.00000
      9      -0.1294      0.00000
     10       0.0426      0.00000
     11      -0.1021      0.00000
     12      -0.1104      0.00000
     13       0.4046      0.00000
     14      -0.7829      0.00000
     15      -0.2905      0.00000
     16       0.3066      0.00000
     17      -0.1059      0.00000
     18      -0.1258      0.00000
     19       0.0462      0.00000
     20       0.1116      0.00000
     21      -0.1458      0.00000
     22       0.9228      0.00000
     23       0.9542      0.00000
     24      -0.7149      0.00000
     25      -1.2367      0.00000
     26       0.2023      0.00000
     27       0.2949      0.00000
     28      -0.1454      0.00000
     29       0.2251      0.00000
     30      -0.3292      0.00000
     31       0.6525      0.00000
     32       0.4079      0.00000
     33       0.5763      0.00000
     34      -0.5895      0.00000
     35       0.0754      0.00000
     36      -0.5220      0.00000
     37      -0.9396      0.00000
     38      -0.8512      0.00000
     39       0.6167      0.00000
     40       0.4254      0.00000

 k-point  73 :      -0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0398      0.00000
      2       0.0028      0.00000
      3      -0.1210      0.00000
      4       0.0808      0.00000
      5       0.4209      0.00000
      6      -0.1335      0.00000
      7       0.3458      0.00000
      8      -0.1002      0.00000
      9      -0.0623      0.00000
     10       0.0377      0.00000
     11      -0.0388      0.00000
     12      -0.0684      0.00000
     13      -0.1193      0.00000
     14      -0.0100      0.00000
     15      -0.1037      0.00000
     16      -0.0948      0.00000
     17      -0.3311      0.00000
     18      -0.2398      0.00000
     19       0.1069      0.00000
     20       0.1781      0.00000
     21       0.2169      0.00000
     22       0.0217      0.00000
     23       0.4635      0.00000
     24      -0.1348      0.00000
     25      -0.1816      0.00000
     26      -0.4055      0.00000
     27       0.6465      0.00000
     28      -0.5181      0.00000
     29      -0.3069      0.00000
     30       0.0548      0.00000
     31       0.5119      0.00000
     32       0.4661      0.00000
     33      -0.1988      0.00000
     34       0.3392      0.00000
     35       0.3424      0.00000
     36       0.1190      0.00000
     37      -0.2600      0.00000
     38      -0.3427      0.00000
     39       0.2118      0.00000
     40      -0.7128      0.00000

 k-point  74 :       0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0333      0.00000
      2      -0.0020      0.00000
      3      -0.1612      0.00000
      4       0.4153      0.00000
      5       0.1689      0.00000
      6      -0.3991      0.00000
      7      -0.1013      0.00000
      8       0.4666      0.00000
      9      -0.0691      0.00000
     10      -0.0705      0.00000
     11      -0.0438      0.00000
     12       0.0698      0.00000
     13      -0.3106      0.00000
     14       0.1597      0.00000
     15      -0.0011      0.00000
     16       0.1793      0.00000
     17      -0.4667      0.00000
     18      -0.2290      0.00000
     19       0.0754      0.00000
     20       0.2809      0.00000
     21      -0.0077      0.00000
     22       0.0286      0.00000
     23       0.4375      0.00000
     24      -0.4288      0.00000
     25       0.0103      0.00000
     26      -0.0039      0.00000
     27       0.4494      0.00000
     28      -1.1460      0.00000
     29      -0.3976      0.00000
     30       0.8245      0.00000
     31       0.3036      0.00000
     32       0.4256      0.00000
     33      -0.6439      0.00000
     34       0.8175      0.00000
     35       0.2531      0.00000
     36       0.0986      0.00000
     37       0.2757      0.00000
     38      -0.2433      0.00000
     39      -0.0696      0.00000
     40      -0.6098      0.00000

 k-point  75 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0281      0.00000
      2      -0.0078      0.00000
      3      -0.1607      0.00000
      4       0.6173      0.00000
      5      -0.0718      0.00000
      6      -0.3534      0.00000
      7      -0.1305      0.00000
      8       0.4776      0.00000
      9      -0.0255      0.00000
     10      -0.1185      0.00000
     11      -0.1168      0.00000
     12       0.0059      0.00000
     13      -0.1583      0.00000
     14       0.1352      0.00000
     15      -0.2275      0.00000
     16       0.4598      0.00000
     17      -0.3343      0.00000
     18      -0.2334      0.00000
     19       0.0484      0.00000
     20       0.1197      0.00000
     21      -0.0037      0.00000
     22       0.0441      0.00000
     23       0.3845      0.00000
     24      -0.1954      0.00000
     25      -0.2641      0.00000
     26       0.1768      0.00000
     27       0.0639      0.00000
     28      -0.8276      0.00000
     29       0.4920      0.00000
     30       0.0925      0.00000
     31       0.2660      0.00000
     32      -0.0644      0.00000
     33      -0.1446      0.00000
     34       0.0875      0.00000
     35       0.4102      0.00000
     36      -0.0005      0.00000
     37       0.3892      0.00000
     38      -0.1686      0.00000
     39      -0.2701      0.00000
     40      -0.0249      0.00000

 k-point  76 :       0.2727   -0.6364    0.0000
  band No.  band energies     occupation 
      1       0.0364      0.00000
      2      -0.0228      0.00000
      3      -0.0343      0.00000
      4       0.2211      0.00000
      5      -0.1167      0.00000
      6      -0.1456      0.00000
      7       0.1564      0.00000
      8       0.4093      0.00000
      9      -0.0749      0.00000
     10       0.1773      0.00000
     11      -0.3035      0.00000
     12      -0.0902      0.00000
     13      -0.3894      0.00000
     14       0.0445      0.00000
     15       0.0556      0.00000
     16       0.4130      0.00000
     17      -0.3031      0.00000
     18      -0.1581      0.00000
     19       0.1026      0.00000
     20       0.0136      0.00000
     21      -0.0164      0.00000
     22       0.0134      0.00000
     23       0.3156      0.00000
     24      -0.2443      0.00000
     25       0.1963      0.00000
     26      -0.3029      0.00000
     27       0.0908      0.00000
     28      -0.5650      0.00000
     29       0.4601      0.00000
     30       0.0514      0.00000
     31      -0.0354      0.00000
     32       0.3459      0.00000
     33       0.2859      0.00000
     34      -0.8177      0.00000
     35      -0.3280      0.00000
     36      -0.2297      0.00000
     37       0.7242      0.00000
     38       0.2494      0.00000
     39      -0.0603      0.00000
     40       0.0586      0.00000

 k-point  77 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0446      0.00000
      2       0.0062      0.00000
      3      -0.2030      0.00000
      4      -0.1887      0.00000
      5       0.5909      0.00000
      6       0.3092      0.00000
      7       0.3627      0.00000
      8      -0.1899      0.00000
      9      -0.0499      0.00000
     10       0.0436      0.00000
     11      -0.0534      0.00000
     12      -0.2382      0.00000
     13       0.2566      0.00000
     14      -0.4694      0.00000
     15      -0.4758      0.00000
     16       0.0245      0.00000
     17      -0.1230      0.00000
     18      -0.2052      0.00000
     19       0.1120      0.00000
     20       0.2565      0.00000
     21      -0.0943      0.00000
     22       0.3696      0.00000
     23       0.7293      0.00000
     24      -0.2007      0.00000
     25      -0.5924      0.00000
     26      -0.2802      0.00000
     27       0.4503      0.00000
     28      -0.1035      0.00000
     29       0.1763      0.00000
     30      -0.5565      0.00000
     31       0.9084      0.00000
     32       0.0738      0.00000
     33       0.6521      0.00000
     34      -0.7608      0.00000
     35      -0.4040      0.00000
     36       0.6107      0.00000
     37       0.0549      0.00000
     38      -0.7493      0.00000
     39      -0.7259      0.00000
     40       0.3326      0.00000

 k-point  78 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0463      0.00000
      2       0.0075      0.00000
      3      -0.4423      0.00000
      4       0.1632      0.00000
      5       0.0328      0.00000
      6       0.8589      0.00000
      7       0.3597      0.00000
      8      -0.1602      0.00000
      9      -0.1132      0.00000
     10       0.0465      0.00000
     11      -0.0592      0.00000
     12      -0.2826      0.00000
     13       0.3537      0.00000
     14      -1.1789      0.00000
     15      -0.0604      0.00000
     16       0.0766      0.00000
     17      -0.0616      0.00000
     18      -0.1567      0.00000
     19       0.1073      0.00000
     20       0.2908      0.00000
     21      -0.4183      0.00000
     22       0.7948      0.00000
     23       0.8951      0.00000
     24      -0.9540      0.00000
     25      -0.0984      0.00000
     26      -0.7465      0.00000
     27       0.7020      0.00000
     28       0.0433      0.00000
     29      -1.1584      0.00000
     30       1.3462      0.00000
     31       0.2446      0.00000
     32       0.5590      0.00000
     33      -0.9876      0.00000
     34      -0.6617      0.00000
     35       1.1133      0.00000
     36       0.1262      0.00000
     37      -0.1530      0.00000
     38      -0.2871      0.00000
     39      -0.8275      0.00000
     40       0.3859      0.00000

 k-point  79 :      -0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.0589      0.00000
      2      -0.0076      0.00000
      3      -0.0474      0.00000
      4       0.0594      0.00000
      5       0.4252      0.00000
      6      -0.1908      0.00000
      7      -0.0373      0.00000
      8       0.4199      0.00000
      9      -0.0583      0.00000
     10       0.0729      0.00000
     11      -0.0321      0.00000
     12      -0.0745      0.00000
     13      -0.5551      0.00000
     14       0.0888      0.00000
     15       0.3412      0.00000
     16      -0.2078      0.00000
     17      -0.5431      0.00000
     18      -0.2894      0.00000
     19       0.1916      0.00000
     20       0.4087      0.00000
     21       0.0014      0.00000
     22      -0.0853      0.00000
     23       0.4230      0.00000
     24      -0.0397      0.00000
     25      -0.1155      0.00000
     26      -0.3626      0.00000
     27       0.6194      0.00000
     28      -0.6957      0.00000
     29       0.2389      0.00000
     30      -0.4446      0.00000
     31       0.3843      0.00000
     32       0.3836      0.00000
     33      -0.0050      0.00000
     34       0.6832      0.00000
     35       0.1353      0.00000
     36       0.1268      0.00000
     37      -0.0911      0.00000
     38      -0.2443      0.00000
     39      -0.4105      0.00000
     40       0.0701      0.00000

 k-point  80 :       0.0909   -0.5455    0.0000
  band No.  band energies     occupation 
      1       0.0600      0.00000
      2      -0.0126      0.00000
      3      -0.0470      0.00000
      4       0.0380      0.00000
      5       0.4179      0.00000
      6      -0.2390      0.00000
      7       0.1456      0.00000
      8       0.3270      0.00000
      9      -0.0627      0.00000
     10       0.0972      0.00000
     11      -0.0187      0.00000
     12      -0.1692      0.00000
     13      -0.4858      0.00000
     14      -0.0455      0.00000
     15       0.2925      0.00000
     16       0.0138      0.00000
     17      -0.5492      0.00000
     18      -0.2714      0.00000
     19       0.1908      0.00000
     20       0.3308      0.00000
     21      -0.0174      0.00000
     22      -0.0555      0.00000
     23       0.4109      0.00000
     24      -0.1901      0.00000
     25       0.1177      0.00000
     26      -0.3636      0.00000
     27       0.4669      0.00000
     28      -0.6999      0.00000
     29       0.1893      0.00000
     30      -0.1733      0.00000
     31       0.3332      0.00000
     32      -0.3198      0.00000
     33       0.5196      0.00000
     34       0.5665      0.00000
     35       0.0498      0.00000
     36       0.1430      0.00000
     37       0.0301      0.00000
     38      -0.3307      0.00000
     39      -0.1683      0.00000
     40       0.3062      0.00000

 k-point  81 :       0.1818   -0.5455    0.0000
  band No.  band energies     occupation 
      1       0.0605      0.00000
      2      -0.0165      0.00000
      3      -0.0217      0.00000
      4       0.0875      0.00000
      5       0.0784      0.00000
      6       0.0659      0.00000
      7       0.4455      0.00000
      8       0.1799      0.00000
      9      -0.0515      0.00000
     10       0.2785      0.00000
     11       0.0236      0.00000
     12      -0.3535      0.00000
     13      -0.7399      0.00000
     14      -0.1610      0.00000
     15       0.0863      0.00000
     16       0.1416      0.00000
     17      -0.2666      0.00000
     18      -0.2621      0.00000
     19       0.2027      0.00000
     20       0.1164      0.00000
     21       0.1701      0.00000
     22      -0.1120      0.00000
     23       0.3949      0.00000
     24      -0.2217      0.00000
     25       0.2711      0.00000
     26      -0.5772      0.00000
     27       0.3621      0.00000
     28      -0.0226      0.00000
     29      -0.5339      0.00000
     30       0.3488      0.00000
     31       0.3410      0.00000
     32      -0.2312      0.00000
     33       0.6476      0.00000
     34      -0.0766      0.00000
     35      -0.6608      0.00000
     36      -0.1497      0.00000
     37       0.1787      0.00000
     38       0.1450      0.00000
     39       0.2569      0.00000
     40       0.2089      0.00000

 k-point  82 :       0.2727   -0.5455    0.0000
  band No.  band energies     occupation 
      1       0.0605      0.00000
      2      -0.0178      0.00000
      3       0.0014      0.00000
      4      -0.0340      0.00000
      5       0.3668      0.00000
      6      -0.2583      0.00000
      7       0.5634      0.00000
      8       0.6595      0.00000
      9       0.0141      0.00000
     10       0.0819      0.00000
     11       0.0062      0.00000
     12      -0.5545      0.00000
     13      -0.8405      0.00000
     14      -0.2098      0.00000
     15      -0.0302      0.00000
     16       0.1601      0.00000
     17       0.0493      0.00000
     18      -0.4080      0.00000
     19       0.1969      0.00000
     20       0.1928      0.00000
     21      -0.2815      0.00000
     22       0.2615      0.00000
     23       0.9108      0.00000
     24      -0.7254      0.00000
     25       0.0871      0.00000
     26      -0.9943      0.00000
     27       0.8721      0.00000
     28       0.0738      0.00000
     29      -1.1049      0.00000
     30       0.8033      0.00000
     31       0.1035      0.00000
     32       1.2936      0.00000
     33      -1.4890      0.00000
     34       0.3615      0.00000
     35      -0.7580      0.00000
     36       0.5961      0.00000
     37      -0.2642      0.00000
     38       0.3317      0.00000
     39       0.1799      0.00000
     40       0.2522      0.00000

 k-point  83 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.0579      0.00000
      2      -0.0033      0.00000
      3      -0.0395      0.00000
      4      -0.2256      0.00000
      5       0.5568      0.00000
      6       0.1319      0.00000
      7       0.4259      0.00000
      8      -0.0698      0.00000
      9      -0.0134      0.00000
     10       0.1592      0.00000
     11      -0.0067      0.00000
     12      -0.0048      0.00000
     13      -0.8696      0.00000
     14       0.1809      0.00000
     15       0.0588      0.00000
     16      -0.3832      0.00000
     17      -0.2761      0.00000
     18      -0.2583      0.00000
     19       0.1878      0.00000
     20       0.2100      0.00000
     21       0.3515      0.00000
     22      -0.2251      0.00000
     23       0.4593      0.00000
     24       0.0582      0.00000
     25      -0.1415      0.00000
     26      -0.5499      0.00000
     27       0.5175      0.00000
     28      -0.1343      0.00000
     29       0.7548      0.00000
     30      -1.2224      0.00000
     31       0.4997      0.00000
     32      -0.2530      0.00000
     33       1.0818      0.00000
     34      -0.3589      0.00000
     35       0.0773      0.00000
     36       0.1426      0.00000
     37      -0.5503      0.00000
     38       0.3368      0.00000
     39       0.0154      0.00000
     40      -0.2956      0.00000

 k-point  84 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.0573      0.00000
      2      -0.0009      0.00000
      3      -0.0837      0.00000
      4      -0.1828      0.00000
      5       0.2220      0.00000
      6       0.5547      0.00000
      7       0.4690      0.00000
      8       0.0501      0.00000
      9       0.0083      0.00000
     10       0.1118      0.00000
     11      -0.0021      0.00000
     12      -0.1270      0.00000
     13      -0.7183      0.00000
     14      -0.0821      0.00000
     15      -0.4838      0.00000
     16      -0.0587      0.00000
     17      -0.0170      0.00000
     18      -0.2711      0.00000
     19       0.1699      0.00000
     20       0.2622      0.00000
     21       0.1588      0.00000
     22      -0.0479      0.00000
     23       0.8125      0.00000
     24      -0.4330      0.00000
     25      -0.1440      0.00000
     26      -0.6399      0.00000
     27       0.5689      0.00000
     28       0.0717      0.00000
     29      -0.9624      0.00000
     30       0.6619      0.00000
     31       0.9839      0.00000
     32      -0.2233      0.00000
     33      -0.5418      0.00000
     34      -0.3802      0.00000
     35      -0.5180      0.00000
     36       0.7245      0.00000
     37       0.4693      0.00000
     38      -0.0985      0.00000
     39       0.1176      0.00000
     40      -0.1994      0.00000

 k-point  85 :      -0.4545   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.1021      0.00000
      2      -0.0017      0.00000
      3      -0.0553      0.00000
      4       0.1795      0.00000
      5      -0.8626      0.00000
      6       0.8229      0.00000
      7      -0.5289      0.00000
      8      -0.8170      0.00000
      9       0.0537      0.00000
     10      -0.1342      0.00000
     11       0.0555      0.00000
     12       0.0590      0.00000
     13       0.8012      0.00000
     14       0.0755      0.00000
     15      -0.1667      0.00000
     16       0.3946      0.00000
     17       0.7749      0.00000
     18       0.5827      0.00000
     19      -0.3302      0.00000
     20      -0.5200      0.00000
     21      -0.4175      0.00000
     22       0.1702      0.00000
     23      -0.7000      0.00000
     24       0.1452      0.00000
     25       0.2614      0.00000
     26       0.7199      0.00000
     27      -1.1446      0.00000
     28       1.2384      0.00000
     29      -0.6440      0.00000
     30       0.8620      0.00000
     31      -0.5051      0.00000
     32      -1.1241      0.00000
     33      -0.9762      0.00000
     34       0.6301      0.00000
     35      -0.7025      0.00000
     36       0.0095      0.00000
     37      -0.0588      0.00000
     38       0.0831      0.00000
     39       0.2676      0.00000
     40       0.3576      0.00000

 k-point  86 :      -0.3636   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0623      0.00000
      2      -0.0241      0.00000
      3      -0.0143      0.00000
      4       0.2647      0.00000
      5      -0.8698      0.00000
      6       0.7176      0.00000
      7      -0.6483      0.00000
      8      -0.6286      0.00000
      9       0.1246      0.00000
     10      -0.0622      0.00000
     11       0.0578      0.00000
     12      -0.1056      0.00000
     13       0.7548      0.00000
     14      -0.0530      0.00000
     15       0.5986      0.00000
     16       0.1445      0.00000
     17       0.2374      0.00000
     18       0.5152      0.00000
     19      -0.1941      0.00000
     20      -0.2910      0.00000
     21      -0.3413      0.00000
     22      -0.4304      0.00000
     23      -0.5703      0.00000
     24       0.4845      0.00000
     25       0.4014      0.00000
     26       0.7701      0.00000
     27      -1.3463      0.00000
     28       0.8571      0.00000
     29       0.6886      0.00000
     30      -0.4448      0.00000
     31      -0.4928      0.00000
     32      -1.5614      0.00000
     33      -0.7142      0.00000
     34       1.2009      0.00000
     35      -0.8911      0.00000
     36       0.1430      0.00000
     37       0.0848      0.00000
     38       0.1513      0.00000
     39       0.1091      0.00000
     40       1.7508      0.00000

 k-point  87 :      -0.2727   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0328      0.00000
      2      -0.0255      0.00000
      3       0.0433      0.00000
      4       0.3369      0.00000
      5      -0.8228      0.00000
      6       0.6386      0.00000
      7      -0.4504      0.00000
      8      -0.5913      0.00000
      9       0.1483      0.00000
     10      -0.0243      0.00000
     11       0.0681      0.00000
     12      -0.1382      0.00000
     13       0.3254      0.00000
     14       0.4416      0.00000
     15       0.5630      0.00000
     16      -0.1720      0.00000
     17      -0.0370      0.00000
     18       0.3888      0.00000
     19      -0.0765      0.00000
     20      -0.2358      0.00000
     21       0.1537      0.00000
     22      -1.1854      0.00000
     23      -0.6857      0.00000
     24       1.0168      0.00000
     25       0.9812      0.00000
     26       0.5582      0.00000
     27      -1.5649      0.00000
     28       0.4927      0.00000
     29       0.4434      0.00000
     30      -0.2322      0.00000
     31      -0.5351      0.00000
     32      -0.9295      0.00000
     33      -0.7642      0.00000
     34       0.3747      0.00000
     35      -0.0404      0.00000
     36      -0.0655      0.00000
     37      -0.5273      0.00000
     38       3.3308      0.00000
     39      -0.8531      0.00000
     40      -0.0469      0.00000

 k-point  88 :      -0.1818   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0122      0.00000
      2      -0.0170      0.00000
      3       0.0485      0.00000
      4       0.4214      0.00000
      5      -0.7247      0.00000
      6       0.6883      0.00000
      7      -0.3001      0.00000
      8      -0.6026      0.00000
      9       0.1351      0.00000
     10      -0.0576      0.00000
     11       0.0918      0.00000
     12      -0.1348      0.00000
     13       0.2558      0.00000
     14       0.5418      0.00000
     15       0.3528      0.00000
     16      -0.4590      0.00000
     17      -0.1443      0.00000
     18       0.2572      0.00000
     19      -0.0156      0.00000
     20      -0.1365      0.00000
     21       0.0426      0.00000
     22      -1.2258      0.00000
     23      -0.8662      0.00000
     24       1.4735      0.00000
     25       0.9079      0.00000
     26       0.5703      0.00000
     27      -1.1503      0.00000
     28       0.2156      0.00000
     29      -0.0619      0.00000
     30      -0.3817      0.00000
     31       0.2896      0.00000
     32      -0.4439      0.00000
     33      -0.6071      0.00000
     34       0.9664      0.00000
     35      -0.2495      0.00000
     36      -0.5895      0.00000
     37      -0.5292      0.00000
     38      -0.5637      0.00000
     39       2.6390      0.00000
     40      -0.6183      0.00000

 k-point  89 :      -0.0909   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0009      0.00000
      2      -0.0071      0.00000
      3       0.0239      0.00000
      4      -0.6322      0.00000
      5       0.2523      0.00000
      6       0.8854      0.00000
      7      -0.2146      0.00000
      8      -0.4910      0.00000
      9       0.1459      0.00000
     10      -0.1224      0.00000
     11       0.1247      0.00000
     12      -0.1118      0.00000
     13       0.1338      0.00000
     14       0.6479      0.00000
     15       0.1203      0.00000
     16      -0.6487      0.00000
     17      -0.1733      0.00000
     18       0.1491      0.00000
     19       0.0114      0.00000
     20      -0.0623      0.00000
     21       0.0003      0.00000
     22      -1.3531      0.00000
     23       1.7539      0.00000
     24       0.0190      0.00000
     25      -0.7678      0.00000
     26       0.7619      0.00000
     27      -0.2791      0.00000
     28      -0.1824      0.00000
     29      -0.7868      0.00000
     30       1.1946      0.00000
     31      -0.2100      0.00000
     32      -0.1391      0.00000
     33       0.1131      0.00000
     34       0.2462      0.00000
     35      -0.2408      0.00000
     36      -0.3895      0.00000
     37      -1.0528      0.00000
     38      -0.5183      0.00000
     39       2.0432      0.00000
     40      -0.0025      0.00000

 k-point  90 :      -0.0000    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0005      0.00000
      2       0.0035      0.00000
      3      -0.0120      0.00000
      4       0.3161      0.00000
      5      -0.1263      0.00000
      6      -0.4426      0.00000
      7       0.1072      0.00000
      8       0.2455      0.00000
      9      -0.0730      0.00000
     10       0.0612      0.00000
     11      -0.0624      0.00000
     12       0.0559      0.00000
     13      -0.0669      0.00000
     14      -0.3240      0.00000
     15      -0.0601      0.00000
     16       0.3244      0.00000
     17       0.0866      0.00000
     18      -0.0746      0.00000
     19      -0.0057      0.00000
     20       0.0311      0.00000
     21      -0.0001      0.00000
     22       0.6765      0.00000
     23      -0.8770      0.00000
     24      -0.0095      0.00000
     25       0.3839      0.00000
     26      -0.3810      0.00000
     27       0.1396      0.00000
     28       0.0912      0.00000
     29       0.3934      0.00000
     30      -0.5973      0.00000
     31       0.1050      0.00000
     32       0.0696      0.00000
     33      -0.0565      0.00000
     34      -0.1231      0.00000
     35       0.1204      0.00000
     36       0.1947      0.00000
     37       0.5264      0.00000
     38       0.2592      0.00000
     39      -1.0216      0.00000
     40       0.0013      0.00000

 k-point  91 :      -0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0736      0.00000
      2      -0.0133      0.00000
      3      -0.0060      0.00000
      4       0.1703      0.00000
      5      -0.7098      0.00000
      6       0.6032      0.00000
      7      -0.6009      0.00000
      8      -0.7106      0.00000
      9       0.0496      0.00000
     10      -0.0543      0.00000
     11       0.0420      0.00000
     12      -0.0977      0.00000
     13       1.0117      0.00000
     14      -0.0446      0.00000
     15       0.2887      0.00000
     16       0.1954      0.00000
     17       0.3714      0.00000
     18       0.4854      0.00000
     19      -0.2277      0.00000
     20      -0.2596      0.00000
     21      -0.6776      0.00000
     22       0.1126      0.00000
     23      -0.4973      0.00000
     24       0.4687      0.00000
     25      -0.1734      0.00000
     26       0.6815      0.00000
     27      -0.9176      0.00000
     28       0.8376      0.00000
     29       0.3305      0.00000
     30      -0.2877      0.00000
     31      -0.4196      0.00000
     32       0.2090      0.00000
     33      -0.9942      0.00000
     34      -0.9665      0.00000
     35       0.3911      0.00000
     36       0.2523      0.00000
     37      -0.2989      0.00000
     38       0.1177      0.00000
     39      -0.1741      0.00000
     40       1.1620      0.00000

 k-point  92 :      -0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0399      0.00000
      2      -0.0243      0.00000
      3       0.0600      0.00000
      4       0.0995      0.00000
      5      -0.4863      0.00000
      6       0.4472      0.00000
      7      -0.4447      0.00000
      8      -0.6699      0.00000
      9       0.1074      0.00000
     10      -0.0077      0.00000
     11       0.0442      0.00000
     12      -0.0631      0.00000
     13       0.5126      0.00000
     14       0.1696      0.00000
     15       0.6552      0.00000
     16      -0.0451      0.00000
     17       0.2696      0.00000
     18       0.0975      0.00000
     19      -0.1065      0.00000
     20      -0.2672      0.00000
     21       0.1658      0.00000
     22      -0.9253      0.00000
     23      -0.6208      0.00000
     24       0.9845      0.00000
     25       0.0259      0.00000
     26       0.7494      0.00000
     27      -1.0660      0.00000
     28       0.4207      0.00000
     29       0.2919      0.00000
     30      -0.1452      0.00000
     31      -0.4523      0.00000
     32      -0.0459      0.00000
     33      -0.1473      0.00000
     34      -1.1395      0.00000
     35      -0.5126      0.00000
     36       0.7121      0.00000
     37      -0.2757      0.00000
     38       1.8606      0.00000
     39       0.0263      0.00000
     40      -0.0553      0.00000

 k-point  93 :      -0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0162      0.00000
      2      -0.0196      0.00000
      3       0.0840      0.00000
      4      -0.0325      0.00000
      5      -0.2060      0.00000
      6       0.4309      0.00000
      7      -0.2786      0.00000
      8      -0.6076      0.00000
      9       0.0943      0.00000
     10       0.0016      0.00000
     11       0.0522      0.00000
     12      -0.0877      0.00000
     13       0.3148      0.00000
     14       0.4897      0.00000
     15       0.2508      0.00000
     16      -0.1550      0.00000
     17       0.1738      0.00000
     18      -0.0990      0.00000
     19      -0.0359      0.00000
     20      -0.1845      0.00000
     21       0.1172      0.00000
     22      -0.9122      0.00000
     23      -0.8440      0.00000
     24       1.4556      0.00000
     25       0.2313      0.00000
     26       0.6148      0.00000
     27      -0.8576      0.00000
     28       0.0192      0.00000
     29       0.0686      0.00000
     30      -0.1919      0.00000
     31       0.0236      0.00000
     32      -0.2169      0.00000
     33       0.2575      0.00000
     34      -0.9966      0.00000
     35       0.3682      0.00000
     36      -0.1218      0.00000
     37      -0.6316      0.00000
     38       2.1836      0.00000
     39      -0.3504      0.00000
     40      -0.4732      0.00000

 k-point  94 :      -0.1818    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0009      0.00000
      2      -0.0099      0.00000
      3       0.0065      0.00000
      4      -0.3112      0.00000
      5       0.0482      0.00000
      6       0.7203      0.00000
      7      -0.0929      0.00000
      8      -0.6393      0.00000
      9       0.0651      0.00000
     10      -0.0241      0.00000
     11       0.0509      0.00000
     12      -0.0362      0.00000
     13       0.2133      0.00000
     14       0.4398      0.00000
     15      -0.0734      0.00000
     16      -0.1594      0.00000
     17      -0.1755      0.00000
     18       0.0867      0.00000
     19      -0.0023      0.00000
     20      -0.0864      0.00000
     21       0.0186      0.00000
     22      -0.5131      0.00000
     23      -0.4824      0.00000
     24       0.7639      0.00000
     25       0.4531      0.00000
     26       0.1758      0.00000
     27      -0.6230      0.00000
     28       0.1118      0.00000
     29      -0.1813      0.00000
     30       0.0690      0.00000
     31       0.0223      0.00000
     32       0.2877      0.00000
     33       0.0455      0.00000
     34      -0.0822      0.00000
     35       0.3152      0.00000
     36      -0.7789      0.00000
     37      -1.0111      0.00000
     38      -0.2948      0.00000
     39       2.0059      0.00000
     40      -0.1213      0.00000

 k-point  95 :      -0.0909    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0049      0.00000
      2      -0.0013      0.00000
      3      -0.3532      0.00000
      4       0.3033      0.00000
      5       0.1925      0.00000
      6       0.1050      0.00000
      7       0.1171      0.00000
      8      -0.3876      0.00000
      9      -0.0785      0.00000
     10       0.0733      0.00000
     11      -0.0655      0.00000
     12       0.1052      0.00000
     13       0.0709      0.00000
     14      -0.4333      0.00000
     15       0.1465      0.00000
     16       0.2626      0.00000
     17      -0.1080      0.00000
     18      -0.0154      0.00000
     19       0.0062      0.00000
     20      -0.0193      0.00000
     21      -0.0021      0.00000
     22       0.7959      0.00000
     23      -0.7341      0.00000
     24       0.4175      0.00000
     25       0.1201      0.00000
     26      -0.6683      0.00000
     27      -0.5380      0.00000
     28       0.4822      0.00000
     29       0.9257      0.00000
     30      -0.8470      0.00000
     31       0.3514      0.00000
     32      -0.2424      0.00000
     33       0.3670      0.00000
     34      -0.2428      0.00000
     35      -0.2392      0.00000
     36       0.1700      0.00000
     37      -1.0144      0.00000
     38       0.2487      0.00000
     39       0.6275      0.00000
     40       0.0115      0.00000

 k-point  96 :      -0.0000    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0061      0.00000
      2       0.0085      0.00000
      3      -0.0242      0.00000
      4      -0.2108      0.00000
      5       0.3623      0.00000
      6      -0.3441      0.00000
      7       0.1500      0.00000
      8       0.3013      0.00000
      9      -0.0676      0.00000
     10       0.0287      0.00000
     11      -0.0459      0.00000
     12       0.0674      0.00000
     13      -0.1279      0.00000
     14      -0.2709      0.00000
     15      -0.1764      0.00000
     16       0.2295      0.00000
     17       0.0721      0.00000
     18      -0.1286      0.00000
     19       0.0078      0.00000
     20       0.0682      0.00000
     21      -0.0213      0.00000
     22       0.6129      0.00000
     23       0.4331      0.00000
     24      -0.7367      0.00000
     25      -0.4539      0.00000
     26      -0.2852      0.00000
     27       0.5751      0.00000
     28      -0.1078      0.00000
     29       0.0309      0.00000
     30       0.1909      0.00000
     31      -0.1448      0.00000
     32       0.2220      0.00000
     33       0.3035      0.00000
     34      -0.4832      0.00000
     35       0.1248      0.00000
     36       0.2948      0.00000
     37       0.2646      0.00000
     38       0.2818      0.00000
     39      -1.3195      0.00000
     40       0.3086      0.00000

 k-point  97 :       0.0909    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0105      0.00000
      2       0.0079      0.00000
      3       0.1669      0.00000
      4       0.1943      0.00000
      5      -0.3507      0.00000
      6      -0.5228      0.00000
      7       0.0761      0.00000
      8       0.5477      0.00000
      9       0.0537      0.00000
     10      -0.0350      0.00000
     11       0.0254      0.00000
     12      -0.0750      0.00000
     13      -0.3010      0.00000
     14      -0.0975      0.00000
     15       0.5611      0.00000
     16      -0.3146      0.00000
     17       0.0655      0.00000
     18       0.0558      0.00000
     19      -0.0128      0.00000
     20       0.0645      0.00000
     21       0.0183      0.00000
     22      -0.0110      0.00000
     23       0.1067      0.00000
     24      -0.9172      0.00000
     25       0.4038      0.00000
     26       0.0730      0.00000
     27       0.2398      0.00000
     28       0.1384      0.00000
     29      -0.1699      0.00000
     30       0.1427      0.00000
     31      -0.7604      0.00000
     32       0.3230      0.00000
     33       0.2210      0.00000
     34       0.1624      0.00000
     35      -0.1160      0.00000
     36       0.5074      0.00000
     37       1.1504      0.00000
     38      -1.6051      0.00000
     39       0.2232      0.00000
     40       0.6344      0.00000

 k-point  98 :      -0.5455    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0732      0.00000
      2       0.0082      0.00000
      3       0.1215      0.00000
      4      -0.2859      0.00000
      5      -0.1443      0.00000
      6       0.3884      0.00000
      7      -0.5795      0.00000
      8      -0.7774      0.00000
      9       0.0485      0.00000
     10      -0.0174      0.00000
     11       0.0414      0.00000
     12       0.2260      0.00000
     13       0.8464      0.00000
     14       0.0744      0.00000
     15       0.1836      0.00000
     16      -0.2058      0.00000
     17       0.2593      0.00000
     18       0.5077      0.00000
     19      -0.1877      0.00000
     20      -0.0989      0.00000
     21      -0.5389      0.00000
     22       0.1282      0.00000
     23      -0.3369      0.00000
     24       0.2694      0.00000
     25      -0.1839      0.00000
     26       0.3709      0.00000
     27      -0.3477      0.00000
     28       0.2264      0.00000
     29       0.4419      0.00000
     30      -0.3086      0.00000
     31      -0.4517      0.00000
     32       0.2435      0.00000
     33      -0.4926      0.00000
     34       0.2458      0.00000
     35      -0.1033      0.00000
     36      -0.4234      0.00000
     37       0.0195      0.00000
     38       0.1499      0.00000
     39      -0.3697      0.00000
     40       0.2354      0.00000

 k-point  99 :      -0.4545    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0350      0.00000
      2      -0.0158      0.00000
      3       0.1560      0.00000
      4      -0.3057      0.00000
      5       0.0539      0.00000
      6       0.3368      0.00000
      7      -0.7419      0.00000
      8      -0.5316      0.00000
      9       0.0665      0.00000
     10       0.0008      0.00000
     11       0.0100      0.00000
     12      -0.0116      0.00000
     13       0.8547      0.00000
     14      -0.0461      0.00000
     15       0.5074      0.00000
     16       0.0138      0.00000
     17       0.1717      0.00000
     18      -0.0036      0.00000
     19      -0.1018      0.00000
     20      -0.2261      0.00000
     21      -0.0063      0.00000
     22      -0.3944      0.00000
     23      -0.3303      0.00000
     24       0.5173      0.00000
     25      -0.0221      0.00000
     26       0.3826      0.00000
     27      -0.2495      0.00000
     28      -0.3438      0.00000
     29       0.2207      0.00000
     30      -0.2273      0.00000
     31      -0.1752      0.00000
     32       0.4115      0.00000
     33       0.3258      0.00000
     34      -0.1160      0.00000
     35      -0.7333      0.00000
     36      -0.0843      0.00000
     37       0.0161      0.00000
     38      -0.0317      0.00000
     39      -0.3085      0.00000
     40       0.7116      0.00000

 k-point 100 :      -0.3636    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0107      0.00000
      2      -0.0170      0.00000
      3       0.0530      0.00000
      4      -0.1756      0.00000
      5       0.3268      0.00000
      6       0.0708      0.00000
      7      -0.2232      0.00000
      8      -0.6987      0.00000
      9       0.0325      0.00000
     10       0.0344      0.00000
     11       0.0116      0.00000
     12       0.0259      0.00000
     13       0.4290      0.00000
     14      -0.0478      0.00000
     15       0.5368      0.00000
     16       0.0678      0.00000
     17       0.0634      0.00000
     18      -0.2249      0.00000
     19      -0.0440      0.00000
     20      -0.2535      0.00000
     21       0.2016      0.00000
     22      -0.3348      0.00000
     23      -0.7440      0.00000
     24       0.9000      0.00000
     25       0.1188      0.00000
     26      -0.0096      0.00000
     27       0.5920      0.00000
     28      -1.0162      0.00000
     29      -0.1087      0.00000
     30       0.3888      0.00000
     31      -0.1273      0.00000
     32       0.3004      0.00000
     33      -0.1514      0.00000
     34      -0.2767      0.00000
     35       0.3612      0.00000
     36      -0.6539      0.00000
     37       0.4262      0.00000
     38       0.6431      0.00000
     39       0.0534      0.00000
     40      -0.2587      0.00000

 k-point 101 :      -0.2727    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0058      0.00000
      2      -0.0095      0.00000
      3      -0.0992      0.00000
      4      -0.0773      0.00000
      5       0.3833      0.00000
      6       0.1809      0.00000
      7      -0.0164      0.00000
      8      -0.6758      0.00000
      9       0.0118      0.00000
     10       0.0434      0.00000
     11       0.0060      0.00000
     12       0.0395      0.00000
     13       0.3222      0.00000
     14      -0.0703      0.00000
     15       0.2188      0.00000
     16       0.0471      0.00000
     17      -0.2591      0.00000
     18      -0.0521      0.00000
     19      -0.0113      0.00000
     20      -0.1084      0.00000
     21       0.0728      0.00000
     22       0.0511      0.00000
     23      -0.1851      0.00000
     24       0.0009      0.00000
     25       0.5723      0.00000
     26      -0.3382      0.00000
     27       0.4647      0.00000
     28      -0.7852      0.00000
     29      -0.1459      0.00000
     30       0.4380      0.00000
     31       0.1715      0.00000
     32      -0.1459      0.00000
     33      -0.0416      0.00000
     34       0.2589      0.00000
     35       0.0440      0.00000
     36      -0.8592      0.00000
     37      -0.1249      0.00000
     38       0.7540      0.00000
     39      -0.0658      0.00000
     40      -0.1163      0.00000

 k-point 102 :      -0.1818    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0146      0.00000
      2      -0.0006      0.00000
      3      -0.3153      0.00000
      4       0.1805      0.00000
      5       0.3313      0.00000
      6       0.1590      0.00000
      7       0.1786      0.00000
      8      -0.5256      0.00000
      9      -0.0607      0.00000
     10       0.0486      0.00000
     11      -0.0518      0.00000
     12       0.1363      0.00000
     13       0.1770      0.00000
     14      -0.4471      0.00000
     15       0.1059      0.00000
     16       0.1377      0.00000
     17      -0.2244      0.00000
     18      -0.0427      0.00000
     19       0.0082      0.00000
     20      -0.0101      0.00000
     21      -0.0037      0.00000
     22       0.6142      0.00000
     23       0.4603      0.00000
     24      -0.5388      0.00000
     25       0.1668      0.00000
     26      -0.6787      0.00000
     27      -0.1621      0.00000
     28       0.3061      0.00000
     29       0.0361      0.00000
     30      -0.0182      0.00000
     31       0.3159      0.00000
     32      -0.1730      0.00000
     33       0.3045      0.00000
     34       0.1530      0.00000
     35       0.1363      0.00000
     36      -0.9832      0.00000
     37      -0.7903      0.00000
     38       0.2738      0.00000
     39       0.3026      0.00000
     40       0.0103      0.00000

 k-point 103 :      -0.0909    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0148      0.00000
      2       0.0059      0.00000
      3      -0.4740      0.00000
      4       0.4615      0.00000
      5      -0.2986      0.00000
      6       0.4415      0.00000
      7       0.2192      0.00000
      8      -0.1468      0.00000
      9      -0.1603      0.00000
     10       0.1085      0.00000
     11      -0.1131      0.00000
     12       0.1904      0.00000
     13       0.0189      0.00000
     14      -0.8914      0.00000
     15      -0.0223      0.00000
     16       0.5631      0.00000
     17      -0.1013      0.00000
     18      -0.0745      0.00000
     19       0.0099      0.00000
     20       0.0391      0.00000
     21      -0.0319      0.00000
     22       1.1735      0.00000
     23       1.1008      0.00000
     24      -0.2091      0.00000
     25      -1.7107      0.00000
     26      -0.7224      0.00000
     27      -0.2089      0.00000
     28       0.6160      0.00000
     29       0.2661      0.00000
     30       0.7401      0.00000
     31      -1.0460      0.00000
     32       0.1004      0.00000
     33       0.4844      0.00000
     34       0.1342      0.00000
     35      -0.1574      0.00000
     36       0.0046      0.00000
     37      -0.6050      0.00000
     38       0.3871      0.00000
     39      -0.6483      0.00000
     40      -0.2703      0.00000

 k-point 104 :      -0.0000    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0164      0.00000
      2       0.0128      0.00000
      3      -0.0217      0.00000
      4      -0.1685      0.00000
      5       0.4114      0.00000
      6      -0.3193      0.00000
      7       0.2252      0.00000
      8       0.2956      0.00000
      9      -0.0742      0.00000
     10       0.0121      0.00000
     11      -0.0341      0.00000
     12       0.0691      0.00000
     13      -0.1627      0.00000
     14      -0.2209      0.00000
     15      -0.2814      0.00000
     16       0.0860      0.00000
     17       0.0185      0.00000
     18      -0.1944      0.00000
     19       0.0383      0.00000
     20       0.1179      0.00000
     21      -0.0769      0.00000
     22       0.5927      0.00000
     23       0.3429      0.00000
     24      -0.5084      0.00000
     25      -0.4906      0.00000
     26      -0.2791      0.00000
     27       0.7824      0.00000
     28      -0.2463      0.00000
     29      -0.2217      0.00000
     30       0.1161      0.00000
     31       0.2676      0.00000
     32       0.4647      0.00000
     33       0.3821      0.00000
     34      -0.1873      0.00000
     35       0.0202      0.00000
     36       0.0328      0.00000
     37       0.2636      0.00000
     38      -1.6654      0.00000
     39       0.4266      0.00000
     40       0.0235      0.00000

 k-point 105 :       0.0909    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0011      0.00000
      2       0.0117      0.00000
      3       0.0093      0.00000
      4       0.1943      0.00000
      5       0.0059      0.00000
      6      -0.6155      0.00000
      7       0.2437      0.00000
      8       0.3614      0.00000
      9       0.0131      0.00000
     10       0.0175      0.00000
     11       0.0023      0.00000
     12      -0.0118      0.00000
     13      -0.2605      0.00000
     14      -0.0720      0.00000
     15       0.2096      0.00000
     16      -0.1375      0.00000
     17       0.0932      0.00000
     18      -0.2052      0.00000
     19      -0.0061      0.00000
     20       0.0785      0.00000
     21      -0.0176      0.00000
     22       0.3609      0.00000
     23       0.3708      0.00000
     24      -0.8899      0.00000
     25      -0.2049      0.00000
     26      -0.0636      0.00000
     27       0.9927      0.00000
     28      -0.5158      0.00000
     29      -0.4880      0.00000
     30       0.3373      0.00000
     31       0.2507      0.00000
     32      -0.2407      0.00000
     33      -0.4529      0.00000
     34       1.6686      0.00000
     35       0.1259      0.00000
     36      -0.3505      0.00000
     37       0.1673      0.00000
     38      -0.7997      0.00000
     39      -0.0747      0.00000
     40       0.0585      0.00000

 k-point 106 :       0.1818    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0176      0.00000
      2       0.0115      0.00000
      3      -0.0816      0.00000
      4       0.4921      0.00000
      5      -0.2917      0.00000
      6      -0.6938      0.00000
      7       0.4589      0.00000
      8       0.0721      0.00000
      9       0.0077      0.00000
     10      -0.0038      0.00000
     11       0.0173      0.00000
     12      -0.0152      0.00000
     13      -0.0728      0.00000
     14       0.1719      0.00000
     15      -0.4646      0.00000
     16       0.4031      0.00000
     17      -0.0646      0.00000
     18       0.1367      0.00000
     19      -0.0759      0.00000
     20       0.0211      0.00000
     21       0.0177      0.00000
     22       0.2278      0.00000
     23       0.3249      0.00000
     24      -0.6968      0.00000
     25      -0.2699      0.00000
     26       0.1521      0.00000
     27       0.3903      0.00000
     28      -0.0919      0.00000
     29      -0.2411      0.00000
     30      -0.2536      0.00000
     31       0.5949      0.00000
     32      -0.6002      0.00000
     33       0.0387      0.00000
     34       0.8318      0.00000
     35       0.5068      0.00000
     36      -0.5594      0.00000
     37      -0.0494      0.00000
     38       0.1361      0.00000
     39       0.0069      0.00000
     40      -0.4336      0.00000

 k-point 107 :      -0.5455    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0154      0.00000
      2      -0.0063      0.00000
      3      -0.1026      0.00000
      4       0.0047      0.00000
      5       0.0222      0.00000
      6       0.4997      0.00000
      7      -0.4955      0.00000
      8      -0.7224      0.00000
      9       0.0508      0.00000
     10       0.0205      0.00000
     11      -0.0530      0.00000
     12       0.1460      0.00000
     13       0.6662      0.00000
     14      -0.0067      0.00000
     15       0.0997      0.00000
     16       0.1738      0.00000
     17       0.0146      0.00000
     18      -0.1162      0.00000
     19      -0.0613      0.00000
     20      -0.0518      0.00000
     21      -0.1508      0.00000
     22      -0.1263      0.00000
     23      -0.3064      0.00000
     24       0.6691      0.00000
     25      -0.1773      0.00000
     26       0.4971      0.00000
     27      -0.4243      0.00000
     28      -0.5827      0.00000
     29       0.2009      0.00000
     30       0.2496      0.00000
     31       0.3037      0.00000
     32       0.0679      0.00000
     33      -0.0595      0.00000
     34       0.0032      0.00000
     35       0.2698      0.00000
     36      -0.9027      0.00000
     37       0.1798      0.00000
     38      -0.1615      0.00000
     39      -0.1774      0.00000
     40       0.3082      0.00000

 k-point 108 :      -0.4545    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0056      0.00000
      2      -0.0124      0.00000
      3      -0.2904      0.00000
      4       0.2721      0.00000
      5       0.3819      0.00000
      6      -0.0642      0.00000
      7      -0.5438      0.00000
      8      -0.1692      0.00000
      9      -0.0602      0.00000
     10       0.0077      0.00000
     11      -0.0278      0.00000
     12       0.0826      0.00000
     13       0.4020      0.00000
     14       0.0614      0.00000
     15      -0.0044      0.00000
     16       0.4451      0.00000
     17      -0.1693      0.00000
     18      -0.2951      0.00000
     19      -0.0212      0.00000
     20      -0.2154      0.00000
     21       0.1230      0.00000
     22      -0.0066      0.00000
     23      -0.0509      0.00000
     24       0.4077      0.00000
     25      -0.1227      0.00000
     26       0.4845      0.00000
     27      -0.2381      0.00000
     28      -1.1652      0.00000
     29       0.5373      0.00000
     30      -0.6581      0.00000
     31       0.6399      0.00000
     32       0.8465      0.00000
     33      -0.5240      0.00000
     34       0.6872      0.00000
     35      -0.3405      0.00000
     36      -0.0801      0.00000
     37      -0.1784      0.00000
     38       0.0464      0.00000
     39      -0.1693      0.00000
     40      -0.0628      0.00000

 k-point 109 :      -0.3636    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0194      0.00000
      2      -0.0075      0.00000
      3      -0.2065      0.00000
      4       0.1712      0.00000
      5       0.3485      0.00000
      6       0.0575      0.00000
      7       0.0317      0.00000
      8      -0.5813      0.00000
      9      -0.0514      0.00000
     10       0.0472      0.00000
     11      -0.0220      0.00000
     12       0.1121      0.00000
     13       0.3157      0.00000
     14      -0.0495      0.00000
     15       0.0859      0.00000
     16       0.1372      0.00000
     17      -0.5781      0.00000
     18      -0.0170      0.00000
     19       0.0074      0.00000
     20      -0.0958      0.00000
     21       0.1853      0.00000
     22       0.0841      0.00000
     23       0.2937      0.00000
     24      -0.4201      0.00000
     25       0.4882      0.00000
     26       0.0070      0.00000
     27       0.0893      0.00000
     28      -1.3326      0.00000
     29       0.4591      0.00000
     30       0.2048      0.00000
     31       0.2487      0.00000
     32      -0.0068      0.00000
     33       0.3714      0.00000
     34       0.4434      0.00000
     35      -0.2305      0.00000
     36       0.0956      0.00000
     37      -0.2354      0.00000
     38      -0.1649      0.00000
     39       0.6352      0.00000
     40      -0.1672      0.00000

 k-point 110 :      -0.2727    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0281      0.00000
      2       0.0004      0.00000
      3      -0.2768      0.00000
      4       0.1866      0.00000
      5       0.3665      0.00000
      6       0.1379      0.00000
      7       0.2747      0.00000
      8      -0.5915      0.00000
      9      -0.0359      0.00000
     10       0.0296      0.00000
     11      -0.0413      0.00000
     12       0.1388      0.00000
     13       0.3001      0.00000
     14      -0.4404      0.00000
     15       0.0162      0.00000
     16      -0.0040      0.00000
     17      -0.3463      0.00000
     18      -0.1135      0.00000
     19       0.0362      0.00000
     20       0.0488      0.00000
     21       0.0515      0.00000
     22       0.3303      0.00000
     23       0.5440      0.00000
     24       0.0907      0.00000
     25      -0.3500      0.00000
     26      -0.5357      0.00000
     27       0.2614      0.00000
     28       0.0312      0.00000
     29      -0.5616      0.00000
     30       0.3007      0.00000
     31       0.4338      0.00000
     32       0.3732      0.00000
     33      -0.1517      0.00000
     34       0.2070      0.00000
     35       0.1773      0.00000
     36      -0.7748      0.00000
     37       0.3308      0.00000
     38      -0.4182      0.00000
     39      -0.3287      0.00000
     40       0.2706      0.00000

 k-point 111 :      -0.1818    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0307      0.00000
      2       0.0074      0.00000
      3      -0.4578      0.00000
      4       0.3249      0.00000
      5       0.1561      0.00000
      6       0.3671      0.00000
      7       0.3203      0.00000
      8      -0.3348      0.00000
      9      -0.1096      0.00000
     10       0.0266      0.00000
     11      -0.0750      0.00000
     12       0.1812      0.00000
     13       0.1477      0.00000
     14      -0.8245      0.00000
     15      -0.1258      0.00000
     16       0.1568      0.00000
     17       0.1038      0.00000
     18      -0.3512      0.00000
     19       0.0484      0.00000
     20       0.1039      0.00000
     21      -0.0914      0.00000
     22       0.7801      0.00000
     23       0.9579      0.00000
     24      -0.0847      0.00000
     25      -1.3309      0.00000
     26       0.0521      0.00000
     27      -0.4287      0.00000
     28       0.3892      0.00000
     29       0.0795      0.00000
     30       0.3026      0.00000
     31      -0.0603      0.00000
     32       0.6889      0.00000
     33      -0.5453      0.00000
     34       0.4509      0.00000
     35      -0.2501      0.00000
     36      -0.4415      0.00000
     37      -0.2169      0.00000
     38      -0.9145      0.00000
     39       0.2253      0.00000
     40      -0.0294      0.00000

 k-point 112 :      -0.0909    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0267      0.00000
      2       0.0117      0.00000
      3      -0.2509      0.00000
      4      -0.1620      0.00000
      5       0.5566      0.00000
      6       0.0919      0.00000
      7       0.2025      0.00000
      8       0.0598      0.00000
      9      -0.1481      0.00000
     10       0.0334      0.00000
     11      -0.0776      0.00000
     12       0.1627      0.00000
     13      -0.0139      0.00000
     14      -0.3923      0.00000
     15      -0.8118      0.00000
     16       0.4695      0.00000
     17      -0.2394      0.00000
     18       0.0433      0.00000
     19       0.0488      0.00000
     20       0.1199      0.00000
     21      -0.1355      0.00000
     22       0.9232      0.00000
     23       0.7372      0.00000
     24      -0.5383      0.00000
     25      -0.6351      0.00000
     26      -0.6878      0.00000
     27       0.6178      0.00000
     28      -0.1575      0.00000
     29       0.1013      0.00000
     30       0.0492      0.00000
     31       0.7368      0.00000
     32      -0.1061      0.00000
     33      -0.4786      0.00000
     34       0.8342      0.00000
     35      -0.2522      0.00000
     36      -0.3856      0.00000
     37      -0.5188      0.00000
     38      -0.5786      0.00000
     39       0.1273      0.00000
     40      -0.1612      0.00000

 k-point 113 :      -0.0000    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0312      0.00000
      2       0.0121      0.00000
      3       0.0071      0.00000
      4      -0.1324      0.00000
      5       0.4349      0.00000
      6      -0.3588      0.00000
      7       0.3241      0.00000
      8       0.3142      0.00000
      9      -0.0623      0.00000
     10       0.0311      0.00000
     11      -0.0289      0.00000
     12       0.0528      0.00000
     13      -0.3774      0.00000
     14       0.0264      0.00000
     15      -0.2992      0.00000
     16      -0.0723      0.00000
     17      -0.1187      0.00000
     18      -0.2576      0.00000
     19       0.0970      0.00000
     20       0.1455      0.00000
     21       0.1706      0.00000
     22       0.2153      0.00000
     23       0.2851      0.00000
     24      -0.2423      0.00000
     25      -0.2007      0.00000
     26      -0.3851      0.00000
     27       0.6731      0.00000
     28      -0.4286      0.00000
     29      -0.3443      0.00000
     30       0.2224      0.00000
     31       0.2464      0.00000
     32       0.7807      0.00000
     33       0.3571      0.00000
     34      -0.6005      0.00000
     35       0.4456      0.00000
     36      -0.0716      0.00000
     37      -0.0424      0.00000
     38      -0.0756      0.00000
     39      -0.0546      0.00000
     40      -0.8753      0.00000

 k-point 114 :       0.0909    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0224      0.00000
      2       0.0094      0.00000
      3      -0.0149      0.00000
      4       0.0435      0.00000
      5       0.2620      0.00000
      6      -0.5447      0.00000
      7       0.1604      0.00000
      8       0.4999      0.00000
      9      -0.0468      0.00000
     10       0.0409      0.00000
     11      -0.0154      0.00000
     12       0.0471      0.00000
     13      -0.2807      0.00000
     14       0.0813      0.00000
     15      -0.5187      0.00000
     16       0.3288      0.00000
     17       0.0422      0.00000
     18      -0.4601      0.00000
     19       0.0326      0.00000
     20       0.0973      0.00000
     21       0.3326      0.00000
     22       0.0978      0.00000
     23       0.3607      0.00000
     24      -0.6839      0.00000
     25      -0.3923      0.00000
     26      -0.0323      0.00000
     27       1.3226      0.00000
     28      -0.9690      0.00000
     29      -0.9248      0.00000
     30       0.8248      0.00000
     31       0.2978      0.00000
     32      -0.1775      0.00000
     33       0.4065      0.00000
     34       0.5815      0.00000
     35       0.3056      0.00000
     36      -0.0074      0.00000
     37      -0.0245      0.00000
     38      -0.1010      0.00000
     39      -0.0912      0.00000
     40      -0.8251      0.00000

 k-point 115 :       0.1818    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0159      0.00000
      2       0.0048      0.00000
      3      -0.0083      0.00000
      4       0.2963      0.00000
      5      -0.2530      0.00000
      6      -0.1883      0.00000
      7      -0.1242      0.00000
      8       0.6619      0.00000
      9      -0.0822      0.00000
     10       0.0296      0.00000
     11      -0.0013      0.00000
     12       0.0025      0.00000
     13      -0.2004      0.00000
     14       0.2210      0.00000
     15      -0.6644      0.00000
     16       0.3721      0.00000
     17       0.0260      0.00000
     18      -0.3122      0.00000
     19      -0.0593      0.00000
     20       0.0301      0.00000
     21       0.4367      0.00000
     22       0.0530      0.00000
     23       0.3627      0.00000
     24      -0.7790      0.00000
     25      -0.2167      0.00000
     26       0.0111      0.00000
     27       0.8861      0.00000
     28      -0.5982      0.00000
     29      -0.3203      0.00000
     30      -0.1181      0.00000
     31       0.6834      0.00000
     32      -0.5747      0.00000
     33       0.9412      0.00000
     34      -0.5280      0.00000
     35       0.8711      0.00000
     36       0.1815      0.00000
     37       0.0527      0.00000
     38      -0.2567      0.00000
     39      -0.0189      0.00000
     40      -0.6152      0.00000

 k-point 116 :       0.2727   -0.6364    0.1667
  band No.  band energies     occupation 
      1       0.0234      0.00000
      2      -0.0097      0.00000
      3       0.0307      0.00000
      4       0.1053      0.00000
      5      -0.1723      0.00000
      6      -0.1906      0.00000
      7      -0.2298      0.00000
      8       0.9910      0.00000
      9      -0.1574      0.00000
     10       0.0324      0.00000
     11       0.0698      0.00000
     12      -0.1576      0.00000
     13      -0.2872      0.00000
     14       0.1542      0.00000
     15      -0.3151      0.00000
     16       0.1903      0.00000
     17       0.0393      0.00000
     18      -0.2384      0.00000
     19      -0.0758      0.00000
     20       0.0232      0.00000
     21       0.2847      0.00000
     22       0.0170      0.00000
     23       0.4975      0.00000
     24      -0.7052      0.00000
     25       0.1305      0.00000
     26      -0.3664      0.00000
     27       0.4428      0.00000
     28      -0.0721      0.00000
     29       0.1181      0.00000
     30      -0.2411      0.00000
     31      -0.1782      0.00000
     32       0.0466      0.00000
     33       0.3035      0.00000
     34      -0.2462      0.00000
     35       0.7157      0.00000
     36       0.4356      0.00000
     37      -0.5970      0.00000
     38      -0.4074      0.00000
     39       0.3438      0.00000
     40      -0.1858      0.00000

 k-point 117 :      -0.6364    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0415      0.00000
      2      -0.0279      0.00000
      3      -0.1634      0.00000
      4       0.3907      0.00000
      5      -0.1097      0.00000
      6      -0.0055      0.00000
      7       0.4635      0.00000
      8      -0.2184      0.00000
      9      -0.0532      0.00000
     10       0.0294      0.00000
     11      -0.3415      0.00000
     12       0.0890      0.00000
     13      -0.2567      0.00000
     14      -0.1317      0.00000
     15       0.3117      0.00000
     16       0.4068      0.00000
     17      -0.1791      0.00000
     18      -0.3719      0.00000
     19       0.1840      0.00000
     20       0.0999      0.00000
     21      -0.2291      0.00000
     22      -0.0621      0.00000
     23      -0.1469      0.00000
     24       0.3883      0.00000
     25       0.1590      0.00000
     26       0.0446      0.00000
     27      -0.3227      0.00000
     28      -0.4291      0.00000
     29       0.5123      0.00000
     30      -0.3311      0.00000
     31       0.3996      0.00000
     32       0.6318      0.00000
     33       0.2080      0.00000
     34      -0.9372      0.00000
     35      -0.7792      0.00000
     36      -0.1556      0.00000
     37       0.4010      0.00000
     38       0.5412      0.00000
     39      -0.0897      0.00000
     40       0.2203      0.00000

 k-point 118 :      -0.5455    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0357      0.00000
      2      -0.0154      0.00000
      3      -0.2713      0.00000
      4       0.3606      0.00000
      5       0.3290      0.00000
      6      -0.1793      0.00000
      7      -0.0925      0.00000
      8       0.0805      0.00000
      9      -0.1690      0.00000
     10       0.0479      0.00000
     11      -0.1407      0.00000
     12       0.0077      0.00000
     13      -0.0216      0.00000
     14      -0.0106      0.00000
     15       0.2220      0.00000
     16       0.3400      0.00000
     17      -0.4709      0.00000
     18      -0.2720      0.00000
     19       0.0806      0.00000
     20       0.1682      0.00000
     21      -0.2796      0.00000
     22       0.0378      0.00000
     23       0.0482      0.00000
     24       0.6060      0.00000
     25      -0.2432      0.00000
     26       0.4204      0.00000
     27      -0.6823      0.00000
     28      -1.0611      0.00000
     29       1.1681      0.00000
     30      -0.8317      0.00000
     31       0.5645      0.00000
     32       0.9357      0.00000
     33       0.6464      0.00000
     34      -0.9072      0.00000
     35      -0.2658      0.00000
     36      -0.3196      0.00000
     37      -0.1857      0.00000
     38       0.3699      0.00000
     39       0.0727      0.00000
     40       0.3445      0.00000

 k-point 119 :      -0.4545    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0397      0.00000
      2      -0.0084      0.00000
      3      -0.2346      0.00000
      4       0.2416      0.00000
      5       0.4434      0.00000
      6      -0.1887      0.00000
      7      -0.2803      0.00000
      8       0.2585      0.00000
      9      -0.1789      0.00000
     10       0.0236      0.00000
     11      -0.0491      0.00000
     12       0.0977      0.00000
     13      -0.0782      0.00000
     14       0.0888      0.00000
     15       0.2199      0.00000
     16       0.0952      0.00000
     17      -0.8788      0.00000
     18       0.0157      0.00000
     19       0.0701      0.00000
     20       0.1730      0.00000
     21      -0.0243      0.00000
     22       0.0053      0.00000
     23       0.3718      0.00000
     24       0.0595      0.00000
     25       0.1201      0.00000
     26       0.2427      0.00000
     27      -0.4860      0.00000
     28      -1.5397      0.00000
     29       1.3568      0.00000
     30      -0.2830      0.00000
     31       0.2064      0.00000
     32       0.6801      0.00000
     33       0.2064      0.00000
     34       0.1354      0.00000
     35      -0.0327      0.00000
     36      -0.4445      0.00000
     37       0.2026      0.00000
     38       0.0413      0.00000
     39       0.2918      0.00000
     40      -0.3114      0.00000

 k-point 120 :      -0.3636    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0439      0.00000
      2      -0.0012      0.00000
      3      -0.2206      0.00000
      4       0.1807      0.00000
      5       0.3960      0.00000
      6       0.0743      0.00000
      7       0.3766      0.00000
      8      -0.4634      0.00000
      9      -0.0966      0.00000
     10       0.0353      0.00000
     11      -0.0326      0.00000
     12       0.1145      0.00000
     13      -0.0274      0.00000
     14      -0.0830      0.00000
     15       0.0182      0.00000
     16      -0.1379      0.00000
     17      -0.4883      0.00000
     18      -0.2018      0.00000
     19       0.0913      0.00000
     20       0.2229      0.00000
     21       0.1984      0.00000
     22      -0.0890      0.00000
     23       0.5725      0.00000
     24       0.0020      0.00000
     25      -0.2151      0.00000
     26      -0.4098      0.00000
     27       0.5032      0.00000
     28      -0.7987      0.00000
     29      -0.2076      0.00000
     30       0.2599      0.00000
     31       0.4765      0.00000
     32       0.3948      0.00000
     33      -0.1114      0.00000
     34      -0.0396      0.00000
     35       0.3832      0.00000
     36       0.4371      0.00000
     37      -0.0626      0.00000
     38       0.2674      0.00000
     39      -0.1128      0.00000
     40      -0.1255      0.00000

 k-point 121 :      -0.2727    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0456      0.00000
      2       0.0055      0.00000
      3      -0.3006      0.00000
      4       0.1150      0.00000
      5       0.3396      0.00000
      6       0.4017      0.00000
      7       0.4791      0.00000
      8      -0.4657      0.00000
      9      -0.0329      0.00000
     10      -0.0080      0.00000
     11      -0.0394      0.00000
     12       0.0893      0.00000
     13       0.0765      0.00000
     14      -0.5601      0.00000
     15      -0.1372      0.00000
     16      -0.2221      0.00000
     17       0.2755      0.00000
     18      -0.6373      0.00000
     19       0.1058      0.00000
     20       0.2385      0.00000
     21       0.0243      0.00000
     22       0.2019      0.00000
     23       0.8508      0.00000
     24      -0.0577      0.00000
     25      -0.8280      0.00000
     26      -0.0287      0.00000
     27       0.1614      0.00000
     28       0.3677      0.00000
     29      -0.8495      0.00000
     30       0.2439      0.00000
     31       0.5884      0.00000
     32      -0.1208      0.00000
     33       0.1110      0.00000
     34      -0.1157      0.00000
     35       0.4273      0.00000
     36       0.0877      0.00000
     37      -0.0139      0.00000
     38      -0.5643      0.00000
     39      -0.5070      0.00000
     40       0.5811      0.00000

 k-point 122 :      -0.1818    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0439      0.00000
      2       0.0103      0.00000
      3      -0.3733      0.00000
      4       0.0787      0.00000
      5      -0.0108      0.00000
      6       0.8058      0.00000
      7       0.3999      0.00000
      8      -0.1098      0.00000
      9      -0.1094      0.00000
     10      -0.0153      0.00000
     11      -0.0497      0.00000
     12       0.0847      0.00000
     13      -0.0450      0.00000
     14      -0.1898      0.00000
     15      -1.0404      0.00000
     16       0.1494      0.00000
     17      -0.0312      0.00000
     18      -0.1709      0.00000
     19       0.1085      0.00000
     20       0.2304      0.00000
     21      -0.2767      0.00000
     22       0.7104      0.00000
     23       0.8718      0.00000
     24      -0.6292      0.00000
     25      -0.2098      0.00000
     26       0.0579      0.00000
     27      -0.6708      0.00000
     28       0.5123      0.00000
     29      -0.0082      0.00000
     30       0.2270      0.00000
     31       0.1228      0.00000
     32       0.2532      0.00000
     33      -0.6250      0.00000
     34       0.8524      0.00000
     35      -0.4794      0.00000
     36      -0.1956      0.00000
     37       0.0590      0.00000
     38      -0.6157      0.00000
     39      -0.1466      0.00000
     40       0.2939      0.00000

 k-point 123 :      -0.0909    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0389      0.00000
      2       0.0126      0.00000
      3      -0.0693      0.00000
      4      -0.2938      0.00000
      5       0.4804      0.00000
      6       0.1683      0.00000
      7       0.2009      0.00000
      8       0.3084      0.00000
      9      -0.1206      0.00000
     10      -0.0099      0.00000
     11      -0.0465      0.00000
     12       0.0748      0.00000
     13      -0.2521      0.00000
     14      -0.0978      0.00000
     15      -0.8646      0.00000
     16       0.1827      0.00000
     17      -0.3629      0.00000
     18       0.1077      0.00000
     19       0.1125      0.00000
     20       0.1887      0.00000
     21      -0.1482      0.00000
     22       0.5645      0.00000
     23       0.2500      0.00000
     24      -0.0946      0.00000
     25       0.1790      0.00000
     26      -0.6858      0.00000
     27       0.0732      0.00000
     28       0.0951      0.00000
     29       0.1960      0.00000
     30      -0.1922      0.00000
     31       0.2016      0.00000
     32       0.2866      0.00000
     33       0.6002      0.00000
     34      -0.5291      0.00000
     35       0.3866      0.00000
     36      -0.3616      0.00000
     37       0.1084      0.00000
     38      -1.0609      0.00000
     39       0.0484      0.00000
     40      -0.0032      0.00000

 k-point 124 :      -0.0000    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.0510      0.00000
      2       0.0008      0.00000
      3       0.0276      0.00000
      4      -0.0898      0.00000
      5       0.4313      0.00000
      6      -0.4114      0.00000
      7       0.2644      0.00000
      8       0.4085      0.00000
      9      -0.0269      0.00000
     10       0.0671      0.00000
     11      -0.0278      0.00000
     12      -0.0295      0.00000
     13      -0.4006      0.00000
     14      -0.0378      0.00000
     15       0.0833      0.00000
     16      -0.1973      0.00000
     17      -0.3875      0.00000
     18      -0.2914      0.00000
     19       0.1651      0.00000
     20       0.2600      0.00000
     21       0.2087      0.00000
     22      -0.0851      0.00000
     23       0.3500      0.00000
     24      -0.0726      0.00000
     25      -0.1307      0.00000
     26      -0.3599      0.00000
     27       0.5723      0.00000
     28      -0.6192      0.00000
     29       0.3220      0.00000
     30      -0.4310      0.00000
     31       0.2525      0.00000
     32       0.5621      0.00000
     33       0.4881      0.00000
     34      -0.3151      0.00000
     35       0.3513      0.00000
     36      -0.0048      0.00000
     37       0.0294      0.00000
     38      -0.0415      0.00000
     39      -0.1338      0.00000
     40      -0.1767      0.00000

 k-point 125 :       0.0909   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.0521      0.00000
      2      -0.0043      0.00000
      3       0.0113      0.00000
      4      -0.0880      0.00000
      5       0.3388      0.00000
      6      -0.1196      0.00000
      7       0.0020      0.00000
      8       0.5001      0.00000
      9      -0.0598      0.00000
     10       0.0923      0.00000
     11       0.0100      0.00000
     12      -0.1134      0.00000
     13      -0.3170      0.00000
     14      -0.0187      0.00000
     15      -0.4757      0.00000
     16       0.3442      0.00000
     17      -0.1439      0.00000
     18      -0.5170      0.00000
     19       0.0906      0.00000
     20       0.3238      0.00000
     21       0.2033      0.00000
     22      -0.0517      0.00000
     23       0.4896      0.00000
     24      -0.8864      0.00000
     25       0.1470      0.00000
     26      -0.4162      0.00000
     27       1.4322      0.00000
     28      -0.5669      0.00000
     29      -1.5222      0.00000
     30       0.9162      0.00000
     31       0.3791      0.00000
     32      -0.5875      0.00000
     33       0.5417      0.00000
     34       0.5428      0.00000
     35       0.3286      0.00000
     36       0.2333      0.00000
     37       0.4071      0.00000
     38      -0.2247      0.00000
     39      -0.5326      0.00000
     40      -0.3972      0.00000

 k-point 126 :       0.1818   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.0537      0.00000
      2      -0.0093      0.00000
      3       0.0302      0.00000
      4      -0.3823      0.00000
      5       0.3977      0.00000
      6       0.1472      0.00000
      7       0.0038      0.00000
      8       0.6486      0.00000
      9      -0.0053      0.00000
     10       0.0793      0.00000
     11      -0.0150      0.00000
     12      -0.0888      0.00000
     13      -0.5058      0.00000
     14      -0.1865      0.00000
     15      -0.4346      0.00000
     16       0.2441      0.00000
     17       0.1439      0.00000
     18      -0.5469      0.00000
     19       0.0959      0.00000
     20       0.2890      0.00000
     21       0.1935      0.00000
     22      -0.0814      0.00000
     23       0.6347      0.00000
     24      -0.9306      0.00000
     25       0.2940      0.00000
     26      -0.5442      0.00000
     27       1.0444      0.00000
     28      -0.0086      0.00000
     29      -1.1360      0.00000
     30       0.8706      0.00000
     31       0.1666      0.00000
     32      -0.7405      0.00000
     33      -0.2114      0.00000
     34       0.7294      0.00000
     35       0.4706      0.00000
     36       0.3933      0.00000
     37      -0.0270      0.00000
     38      -0.5705      0.00000
     39      -0.0752      0.00000
     40       0.0977      0.00000

 k-point 127 :       0.2727   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.0554      0.00000
      2      -0.0124      0.00000
      3      -0.0710      0.00000
      4      -0.0469      0.00000
      5       0.3360      0.00000
      6      -0.2244      0.00000
      7       0.6241      0.00000
      8       0.5012      0.00000
      9      -0.0334      0.00000
     10       0.0067      0.00000
     11      -0.0424      0.00000
     12      -0.1265      0.00000
     13      -0.8375      0.00000
     14      -0.4021      0.00000
     15       0.1435      0.00000
     16       0.0047      0.00000
     17       0.0892      0.00000
     18      -0.3519      0.00000
     19       0.1935      0.00000
     20       0.1471      0.00000
     21      -0.1737      0.00000
     22       0.1988      0.00000
     23       0.4747      0.00000
     24      -0.4881      0.00000
     25       0.3336      0.00000
     26      -0.8438      0.00000
     27       0.6640      0.00000
     28       0.1541      0.00000
     29       0.0935      0.00000
     30      -0.5134      0.00000
     31       0.2120      0.00000
     32       0.7395      0.00000
     33      -0.8547      0.00000
     34      -0.2096      0.00000
     35      -0.2649      0.00000
     36       0.6255      0.00000
     37       0.0416      0.00000
     38      -0.0679      0.00000
     39       0.1750      0.00000
     40       0.2523      0.00000

 k-point 128 :       0.3636   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.0573      0.00000
      2      -0.0130      0.00000
      3      -0.1133      0.00000
      4      -0.0105      0.00000
      5       0.3972      0.00000
      6      -0.2001      0.00000
      7       0.7036      0.00000
      8       0.1154      0.00000
      9       0.0336      0.00000
     10      -0.0123      0.00000
     11      -0.0403      0.00000
     12      -0.2285      0.00000
     13      -0.6460      0.00000
     14      -0.2955      0.00000
     15       0.4808      0.00000
     16      -0.1663      0.00000
     17      -0.2854      0.00000
     18      -0.1955      0.00000
     19       0.2470      0.00000
     20       0.0687      0.00000
     21       0.1023      0.00000
     22      -0.1812      0.00000
     23      -0.0258      0.00000
     24       0.5096      0.00000
     25       0.4006      0.00000
     26      -0.3820      0.00000
     27      -0.5384      0.00000
     28       0.3719      0.00000
     29      -0.1217      0.00000
     30       0.4267      0.00000
     31      -0.2317      0.00000
     32       0.3313      0.00000
     33      -0.4486      0.00000
     34       0.2822      0.00000
     35      -0.7679      0.00000
     36       0.2419      0.00000
     37      -0.0722      0.00000
     38       0.1069      0.00000
     39       0.3886      0.00000
     40       0.3798      0.00000

 k-point 129 :      -0.5455    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.0585      0.00000
      2      -0.0108      0.00000
      3      -0.0881      0.00000
      4       0.0263      0.00000
      5       0.4813      0.00000
      6      -0.2700      0.00000
      7       0.2024      0.00000
      8       0.2650      0.00000
      9      -0.0585      0.00000
     10       0.0657      0.00000
     11      -0.0384      0.00000
     12      -0.1686      0.00000
     13      -0.3002      0.00000
     14      -0.1203      0.00000
     15       0.5387      0.00000
     16      -0.2673      0.00000
     17      -0.7410      0.00000
     18      -0.0803      0.00000
     19       0.1939      0.00000
     20       0.2901      0.00000
     21      -0.1177      0.00000
     22      -0.0432      0.00000
     23       0.2489      0.00000
     24       0.5190      0.00000
     25       0.1414      0.00000
     26      -0.1972      0.00000
     27      -0.6459      0.00000
     28      -0.7390      0.00000
     29       1.3121      0.00000
     30      -0.6385      0.00000
     31       0.1589      0.00000
     32       0.4028      0.00000
     33       0.1774      0.00000
     34       0.4115      0.00000
     35      -0.1645      0.00000
     36      -0.3331      0.00000
     37      -0.0577      0.00000
     38       0.0629      0.00000
     39      -0.0486      0.00000
     40       0.2628      0.00000

 k-point 130 :      -0.4545    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.0583      0.00000
      2      -0.0066      0.00000
      3      -0.1087      0.00000
      4       0.0872      0.00000
      5       0.4164      0.00000
      6      -0.0301      0.00000
      7      -0.2086      0.00000
      8       0.4319      0.00000
      9      -0.0994      0.00000
     10       0.0632      0.00000
     11      -0.0263      0.00000
     12      -0.0492      0.00000
     13      -0.2710      0.00000
     14      -0.0364      0.00000
     15       0.2649      0.00000
     16      -0.2218      0.00000
     17      -0.5750      0.00000
     18      -0.2715      0.00000
     19       0.1473      0.00000
     20       0.4027      0.00000
     21      -0.0289      0.00000
     22      -0.0481      0.00000
     23       0.4747      0.00000
     24      -0.0234      0.00000
     25      -0.1523      0.00000
     26      -0.3456      0.00000
     27       0.5496      0.00000
     28      -0.7524      0.00000
     29       0.2632      0.00000
     30      -0.3918      0.00000
     31       0.3713      0.00000
     32       0.5138      0.00000
     33       0.3462      0.00000
     34      -0.2690      0.00000
     35       0.1568      0.00000
     36       0.3952      0.00000
     37       0.2625      0.00000
     38      -0.0227      0.00000
     39      -0.3096      0.00000
     40      -0.3844      0.00000

 k-point 131 :      -0.3636    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.0568      0.00000
      2      -0.0018      0.00000
      3      -0.1156      0.00000
      4      -0.0280      0.00000
      5       0.3814      0.00000
      6       0.2501      0.00000
      7      -0.1400      0.00000
      8       0.3762      0.00000
      9      -0.0183      0.00000
     10       0.0663      0.00000
     11      -0.0090      0.00000
     12       0.0120      0.00000
     13      -0.4483      0.00000
     14      -0.1304      0.00000
     15      -0.0343      0.00000
     16      -0.2687      0.00000
     17       0.0956      0.00000
     18      -0.6347      0.00000
     19       0.1453      0.00000
     20       0.3747      0.00000
     21       0.2005      0.00000
     22      -0.1851      0.00000
     23       0.6645      0.00000
     24      -0.5760      0.00000
     25      -0.0751      0.00000
     26      -0.4484      0.00000
     27       1.1007      0.00000
     28       0.0994      0.00000
     29      -1.5968      0.00000
     30       0.5531      0.00000
     31       0.5003      0.00000
     32      -0.3202      0.00000
     33       0.0927      0.00000
     34       0.5527      0.00000
     35      -0.1245      0.00000
     36       0.8332      0.00000
     37       0.1038      0.00000
     38       0.0705      0.00000
     39      -0.6297      0.00000
     40      -0.4504      0.00000

 k-point 132 :      -0.2727    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.0547      0.00000
      2       0.0021      0.00000
      3      -0.1668      0.00000
      4      -0.1251      0.00000
      5       0.2818      0.00000
      6       0.5002      0.00000
      7      -0.0251      0.00000
      8       0.4976      0.00000
      9      -0.0128      0.00000
     10       0.0273      0.00000
     11      -0.0186      0.00000
     12       0.0058      0.00000
     13      -0.5755      0.00000
     14      -0.3831      0.00000
     15      -0.0594      0.00000
     16      -0.3048      0.00000
     17       0.1310      0.00000
     18      -0.3895      0.00000
     19       0.1560      0.00000
     20       0.2985      0.00000
     21       0.0058      0.00000
     22       0.0926      0.00000
     23       0.9029      0.00000
     24      -0.9438      0.00000
     25       0.1570      0.00000
     26      -0.3925      0.00000
     27       0.4510      0.00000
     28       0.3135      0.00000
     29      -0.8437      0.00000
     30       0.7414      0.00000
     31       0.2774      0.00000
     32      -0.3744      0.00000
     33      -0.2706      0.00000
     34      -0.3904      0.00000
     35       0.8340      0.00000
     36      -0.4355      0.00000
     37       0.5725      0.00000
     38      -0.1740      0.00000
     39       0.2002      0.00000
     40      -0.3308      0.00000

 k-point 133 :      -0.1818    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.0526      0.00000
      2       0.0043      0.00000
      3      -0.0745      0.00000
      4      -0.1865      0.00000
      5       0.2377      0.00000
      6       0.3570      0.00000
      7       0.2829      0.00000
      8       0.4595      0.00000
      9      -0.0744      0.00000
     10       0.0029      0.00000
     11      -0.0273      0.00000
     12       0.0267      0.00000
     13      -0.7819      0.00000
     14      -0.1260      0.00000
     15      -0.0427      0.00000
     16      -0.4170      0.00000
     17      -0.1071      0.00000
     18      -0.1330      0.00000
     19       0.1776      0.00000
     20       0.2050      0.00000
     21      -0.0115      0.00000
     22       0.1667      0.00000
     23       0.0054      0.00000
     24       0.1796      0.00000
     25       0.2920      0.00000
     26      -0.5347      0.00000
     27      -0.1409      0.00000
     28       0.4357      0.00000
     29       0.0204      0.00000
     30       0.4808      0.00000
     31      -0.4196      0.00000
     32       0.1887      0.00000
     33      -0.3645      0.00000
     34      -0.7159      0.00000
     35       0.2266      0.00000
     36       0.6438      0.00000
     37       0.0333      0.00000
     38      -0.1044      0.00000
     39       0.3017      0.00000
     40      -0.2780      0.00000

 k-point 134 :      -0.0909    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.0512      0.00000
      2       0.0040      0.00000
      3       0.0209      0.00000
      4      -0.2139      0.00000
      5       0.4477      0.00000
      6      -0.0585      0.00000
      7       0.4404      0.00000
      8       0.2106      0.00000
      9      -0.0028      0.00000
     10       0.0133      0.00000
     11      -0.0266      0.00000
     12       0.0506      0.00000
     13      -0.7310      0.00000
     14      -0.0369      0.00000
     15       0.2301      0.00000
     16      -0.5242      0.00000
     17      -0.4137      0.00000
     18      -0.0252      0.00000
     19       0.1951      0.00000
     20       0.1622      0.00000
     21       0.3450      0.00000
     22      -0.2103      0.00000
     23       0.1366      0.00000
     24       0.2152      0.00000
     25       0.5657      0.00000
     26      -0.6492      0.00000
     27      -0.4051      0.00000
     28       0.1314      0.00000
     29       0.5942      0.00000
     30      -0.5371      0.00000
     31       0.1218      0.00000
     32      -0.0314      0.00000
     33       0.5876      0.00000
     34       0.3850      0.00000
     35      -0.6968      0.00000
     36      -0.2449      0.00000
     37       0.3233      0.00000
     38      -0.0167      0.00000
     39       0.2653      0.00000
     40      -0.3370      0.00000

 k-point 135 :      -0.4545   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0733      0.00000
      2      -0.0323      0.00000
      3      -0.1356      0.00000
      4       0.3473      0.00000
      5      -0.8692      0.00000
      6       0.7417      0.00000
      7      -0.4621      0.00000
      8      -0.8024      0.00000
      9      -0.0952      0.00000
     10       0.0371      0.00000
     11       0.0208      0.00000
     12       0.0405      0.00000
     13       0.5021      0.00000
     14       0.0882      0.00000
     15       0.4324      0.00000
     16       0.3979      0.00000
     17       0.5573      0.00000
     18       0.4241      0.00000
     19      -0.2483      0.00000
     20      -0.4717      0.00000
     21      -0.4292      0.00000
     22       0.1252      0.00000
     23      -0.6922      0.00000
     24      -0.3701      0.00000
     25       0.3722      0.00000
     26       0.6721      0.00000
     27      -0.4781      0.00000
     28       0.5311      0.00000
     29      -0.2240      0.00000
     30       0.7284      0.00000
     31      -0.3929      0.00000
     32       0.0237      0.00000
     33      -0.7135      0.00000
     34       0.0520      0.00000
     35      -1.1556      0.00000
     36      -0.3593      0.00000
     37      -0.0194      0.00000
     38      -0.2229      0.00000
     39       0.0392      0.00000
     40       1.3469      0.00000

 k-point 136 :      -0.3636   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0400      0.00000
      2      -0.0480      0.00000
      3      -0.1717      0.00000
      4       0.4764      0.00000
      5      -0.8721      0.00000
      6       0.8824      0.00000
      7      -0.6887      0.00000
      8      -0.6423      0.00000
      9       0.0638      0.00000
     10      -0.0354      0.00000
     11       0.0168      0.00000
     12      -0.1076      0.00000
     13       0.5142      0.00000
     14       0.0423      0.00000
     15       0.9385      0.00000
     16       0.1566      0.00000
     17       0.5040      0.00000
     18      -0.0490      0.00000
     19      -0.1471      0.00000
     20      -0.3388      0.00000
     21      -0.0882      0.00000
     22      -0.5956      0.00000
     23      -0.4810      0.00000
     24      -0.1650      0.00000
     25       0.5184      0.00000
     26       0.7247      0.00000
     27      -0.6449      0.00000
     28       0.3202      0.00000
     29       0.6349      0.00000
     30      -0.3113      0.00000
     31      -0.2119      0.00000
     32      -0.3506      0.00000
     33      -1.1982      0.00000
     34       0.4836      0.00000
     35      -0.9369      0.00000
     36      -0.1407      0.00000
     37       0.3318      0.00000
     38       1.1276      0.00000
     39       0.2419      0.00000
     40       0.0872      0.00000

 k-point 137 :      -0.2727   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0179      0.00000
      2      -0.0415      0.00000
      3      -0.1534      0.00000
      4       0.5436      0.00000
      5      -0.7931      0.00000
      6       0.8489      0.00000
      7      -0.6951      0.00000
      8      -0.4699      0.00000
      9       0.0671      0.00000
     10      -0.0070      0.00000
     11       0.0115      0.00000
     12      -0.0924      0.00000
     13       0.3855      0.00000
     14      -0.0328      0.00000
     15       1.0520      0.00000
     16      -0.1381      0.00000
     17      -0.1735      0.00000
     18       0.3749      0.00000
     19      -0.0635      0.00000
     20      -0.2399      0.00000
     21       0.1060      0.00000
     22      -1.0530      0.00000
     23      -0.3466      0.00000
     24      -0.1095      0.00000
     25       1.0986      0.00000
     26       0.5178      0.00000
     27      -0.7545      0.00000
     28       0.2385      0.00000
     29       0.5141      0.00000
     30      -0.1407      0.00000
     31      -0.3487      0.00000
     32      -0.6506      0.00000
     33      -1.1990      0.00000
     34       0.3774      0.00000
     35      -0.3168      0.00000
     36      -0.3658      0.00000
     37       3.0650      0.00000
     38       0.0668      0.00000
     39      -0.6723      0.00000
     40      -1.0104      0.00000

 k-point 138 :      -0.1818   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0033      0.00000
      2      -0.0265      0.00000
      3      -0.1873      0.00000
      4       0.5525      0.00000
      5      -0.6597      0.00000
      6       0.8042      0.00000
      7      -0.5649      0.00000
      8      -0.3461      0.00000
      9       0.0814      0.00000
     10      -0.0392      0.00000
     11       0.0155      0.00000
     12      -0.0426      0.00000
     13       0.2912      0.00000
     14      -0.0232      0.00000
     15       0.7942      0.00000
     16      -0.3921      0.00000
     17      -0.1131      0.00000
     18       0.2205      0.00000
     19      -0.0199      0.00000
     20      -0.1504      0.00000
     21      -0.0249      0.00000
     22      -0.9076      0.00000
     23       0.1295      0.00000
     24      -0.9544      0.00000
     25       1.5502      0.00000
     26       0.5438      0.00000
     27      -0.6717      0.00000
     28       0.2396      0.00000
     29       0.3222      0.00000
     30      -0.0081      0.00000
     31      -0.8491      0.00000
     32       0.0080      0.00000
     33      -0.2432      0.00000
     34      -0.0864      0.00000
     35      -0.1131      0.00000
     36      -0.3112      0.00000
     37      -0.1945      0.00000
     38       1.3512      0.00000
     39       0.7991      0.00000
     40      -1.0189      0.00000

 k-point 139 :      -0.0909   -0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0030      0.00000
      2      -0.0112      0.00000
      3      -0.2782      0.00000
      4       0.3910      0.00000
      5      -0.5456      0.00000
      6       0.7811      0.00000
      7      -0.2117      0.00000
      8      -0.2787      0.00000
      9       0.1068      0.00000
     10      -0.0941      0.00000
     11       0.0309      0.00000
     12      -0.0220      0.00000
     13       0.1582      0.00000
     14      -0.0084      0.00000
     15       0.5467      0.00000
     16      -0.5304      0.00000
     17      -0.0025      0.00000
     18       0.0657      0.00000
     19       0.0056      0.00000
     20      -0.0758      0.00000
     21      -0.0356      0.00000
     22      -0.1287      0.00000
     23      -0.5373      0.00000
     24      -1.5904      0.00000
     25       1.7232      0.00000
     26       0.8123      0.00000
     27      -0.7503      0.00000
     28      -0.1281      0.00000
     29      -0.0275      0.00000
     30       1.7294      0.00000
     31      -0.4806      0.00000
     32      -0.7382      0.00000
     33       0.1720      0.00000
     34      -0.0552      0.00000
     35      -0.0950      0.00000
     36      -0.8571      0.00000
     37       0.4936      0.00000
     38      -0.0401      0.00000
     39       0.6423      0.00000
     40       0.1594      0.00000

 k-point 140 :      -0.0000    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0015      0.00000
      2       0.0056      0.00000
      3       0.1391      0.00000
      4      -0.1956      0.00000
      5       0.2728      0.00000
      6      -0.3905      0.00000
      7       0.1058      0.00000
      8       0.1394      0.00000
      9      -0.0535      0.00000
     10       0.0470      0.00000
     11      -0.0155      0.00000
     12       0.0110      0.00000
     13      -0.0791      0.00000
     14       0.0042      0.00000
     15      -0.2733      0.00000
     16       0.2652      0.00000
     17       0.0012      0.00000
     18      -0.0329      0.00000
     19      -0.0028      0.00000
     20       0.0379      0.00000
     21       0.0178      0.00000
     22       0.0644      0.00000
     23       0.2686      0.00000
     24       0.7952      0.00000
     25      -0.8616      0.00000
     26      -0.4062      0.00000
     27       0.3751      0.00000
     28       0.0640      0.00000
     29       0.0137      0.00000
     30      -0.8647      0.00000
     31       0.2403      0.00000
     32       0.3691      0.00000
     33      -0.0860      0.00000
     34       0.0276      0.00000
     35       0.0475      0.00000
     36       0.4285      0.00000
     37      -0.2468      0.00000
     38       0.0200      0.00000
     39      -0.3211      0.00000
     40      -0.0797      0.00000

 k-point 141 :      -0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0482      0.00000
      2      -0.0403      0.00000
      3      -0.1283      0.00000
      4       0.3840      0.00000
      5      -0.7527      0.00000
      6       0.7065      0.00000
      7      -0.6742      0.00000
      8      -0.6538      0.00000
      9       0.0667      0.00000
     10      -0.0360      0.00000
     11       0.0038      0.00000
     12      -0.0455      0.00000
     13       0.5973      0.00000
     14       0.0886      0.00000
     15       0.4577      0.00000
     16       0.4773      0.00000
     17       0.3898      0.00000
     18       0.1023      0.00000
     19      -0.1467      0.00000
     20      -0.3691      0.00000
     21      -0.5217      0.00000
     22       0.0563      0.00000
     23      -0.3242      0.00000
     24      -0.1456      0.00000
     25      -0.0027      0.00000
     26       0.6859      0.00000
     27      -0.5312      0.00000
     28       0.4657      0.00000
     29       0.1246      0.00000
     30      -0.1579      0.00000
     31      -0.0399      0.00000
     32       0.1134      0.00000
     33      -0.7523      0.00000
     34      -0.7568      0.00000
     35       0.0369      0.00000
     36      -0.0381      0.00000
     37      -0.1316      0.00000
     38      -0.3655      0.00000
     39       0.2486      0.00000
     40       1.3278      0.00000

 k-point 142 :      -0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0223      0.00000
      2      -0.0430      0.00000
      3      -0.1096      0.00000
      4       0.3891      0.00000
      5      -0.4940      0.00000
      6       0.6401      0.00000
      7      -0.8356      0.00000
      8      -0.4280      0.00000
      9       0.0528      0.00000
     10       0.0002      0.00000
     11       0.0054      0.00000
     12      -0.0674      0.00000
     13       0.4949      0.00000
     14      -0.0058      0.00000
     15       0.9877      0.00000
     16      -0.0354      0.00000
     17       0.3179      0.00000
     18      -0.1664      0.00000
     19      -0.0662      0.00000
     20      -0.2941      0.00000
     21       0.1503      0.00000
     22      -0.8379      0.00000
     23      -0.2060      0.00000
     24      -0.0977      0.00000
     25       0.4314      0.00000
     26       0.5465      0.00000
     27      -0.5321      0.00000
     28       0.3243      0.00000
     29       0.0133      0.00000
     30      -0.2428      0.00000
     31       0.1940      0.00000
     32      -0.1893      0.00000
     33      -1.0010      0.00000
     34      -0.2246      0.00000
     35      -0.1561      0.00000
     36      -0.1083      0.00000
     37       1.2045      0.00000
     38       0.6817      0.00000
     39      -0.2892      0.00000
     40      -0.1776      0.00000

 k-point 143 :      -0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0051      0.00000
      2      -0.0313      0.00000
      3      -0.0989      0.00000
      4       0.3290      0.00000
      5      -0.2141      0.00000
      6       0.4699      0.00000
      7      -0.7739      0.00000
      8      -0.2236      0.00000
      9       0.0486      0.00000
     10       0.0082      0.00000
     11      -0.0021      0.00000
     12      -0.0318      0.00000
     13       0.3616      0.00000
     14      -0.0357      0.00000
     15       0.8265      0.00000
     16      -0.2218      0.00000
     17      -0.0559      0.00000
     18       0.0521      0.00000
     19      -0.0267      0.00000
     20      -0.1907      0.00000
     21       0.0388      0.00000
     22      -0.7165      0.00000
     23      -0.2093      0.00000
     24      -0.0880      0.00000
     25       0.7431      0.00000
     26       0.3699      0.00000
     27      -0.3217      0.00000
     28       0.1003      0.00000
     29       0.0078      0.00000
     30      -0.3232      0.00000
     31      -0.0201      0.00000
     32       0.1082      0.00000
     33      -0.3339      0.00000
     34      -0.3352      0.00000
     35      -0.3045      0.00000
     36      -0.0146      0.00000
     37       1.0463      0.00000
     38       0.8083      0.00000
     39      -0.1936      0.00000
     40      -0.7098      0.00000

 k-point 144 :      -0.1818    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0049      0.00000
      2      -0.0159      0.00000
      3      -0.1216      0.00000
      4       0.1622      0.00000
      5      -0.2745      0.00000
      6       0.6966      0.00000
      7      -0.5762      0.00000
      8      -0.0962      0.00000
      9       0.0391      0.00000
     10      -0.0139      0.00000
     11       0.0007      0.00000
     12       0.0092      0.00000
     13       0.2413      0.00000
     14      -0.0227      0.00000
     15       0.4004      0.00000
     16      -0.2931      0.00000
     17      -0.0694      0.00000
     18       0.0513      0.00000
     19      -0.0025      0.00000
     20      -0.0973      0.00000
     21      -0.0244      0.00000
     22      -0.3213      0.00000
     23       0.5982      0.00000
     24      -0.8615      0.00000
     25       0.5458      0.00000
     26       0.2450      0.00000
     27      -0.7171      0.00000
     28       0.4398      0.00000
     29       0.0724      0.00000
     30       0.2926      0.00000
     31      -0.1985      0.00000
     32      -0.1629      0.00000
     33       0.3237      0.00000
     34      -0.4743      0.00000
     35       0.0900      0.00000
     36      -0.7992      0.00000
     37      -0.4993      0.00000
     38       0.9417      0.00000
     39       0.7318      0.00000
     40       0.0081      0.00000

 k-point 145 :      -0.0909    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0063      0.00000
      2      -0.0026      0.00000
      3      -0.2065      0.00000
      4       0.0286      0.00000
      5       0.2516      0.00000
      6       0.0743      0.00000
      7      -0.3042      0.00000
      8       0.1579      0.00000
      9      -0.0673      0.00000
     10       0.0636      0.00000
     11      -0.0233      0.00000
     12       0.0453      0.00000
     13       0.0833      0.00000
     14      -0.0207      0.00000
     15      -0.2434      0.00000
     16       0.1597      0.00000
     17      -0.1342      0.00000
     18       0.0701      0.00000
     19       0.0110      0.00000
     20      -0.0207      0.00000
     21      -0.0133      0.00000
     22       0.0735      0.00000
     23       1.0304      0.00000
     24       0.2143      0.00000
     25      -0.6160      0.00000
     26      -0.7596      0.00000
     27      -0.5151      0.00000
     28       0.8874      0.00000
     29       0.5396      0.00000
     30      -0.3364      0.00000
     31      -0.2399      0.00000
     32      -0.1408      0.00000
     33       0.1918      0.00000
     34      -0.0190      0.00000
     35      -0.0042      0.00000
     36      -0.5373      0.00000
     37      -0.1714      0.00000
     38       0.1102      0.00000
     39       0.4473      0.00000
     40      -0.1058      0.00000

 k-point 146 :      -0.0000    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0017      0.00000
      2       0.0133      0.00000
      3       0.0937      0.00000
      4      -0.2763      0.00000
      5       0.3298      0.00000
      6      -0.4021      0.00000
      7       0.2824      0.00000
      8       0.1730      0.00000
      9      -0.0408      0.00000
     10       0.0196      0.00000
     11      -0.0078      0.00000
     12       0.0212      0.00000
     13      -0.1456      0.00000
     14       0.0115      0.00000
     15      -0.3970      0.00000
     16       0.1960      0.00000
     17       0.0565      0.00000
     18      -0.1103      0.00000
     19       0.0099      0.00000
     20       0.0752      0.00000
     21       0.0125      0.00000
     22       0.4538      0.00000
     23      -0.0648      0.00000
     24       0.4772      0.00000
     25      -0.7751      0.00000
     26      -0.2719      0.00000
     27       0.3358      0.00000
     28      -0.1198      0.00000
     29      -0.1611      0.00000
     30       0.0040      0.00000
     31       0.4245      0.00000
     32      -0.0040      0.00000
     33       0.1216      0.00000
     34       0.0432      0.00000
     35       0.0565      0.00000
     36       0.1556      0.00000
     37       0.0972      0.00000
     38      -0.6756      0.00000
     39      -0.3995      0.00000
     40       0.5094      0.00000

 k-point 147 :       0.0909    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0164      0.00000
      2       0.0137      0.00000
      3       0.1814      0.00000
      4      -0.0581      0.00000
      5      -0.0576      0.00000
      6      -0.4489      0.00000
      7       0.5383      0.00000
      8      -0.1323      0.00000
      9       0.0618      0.00000
     10      -0.0321      0.00000
     11       0.0251      0.00000
     12      -0.0557      0.00000
     13      -0.2483      0.00000
     14       0.0917      0.00000
     15       0.1401      0.00000
     16      -0.1698      0.00000
     17       0.1690      0.00000
     18       0.0526      0.00000
     19      -0.0396      0.00000
     20       0.0692      0.00000
     21       0.0414      0.00000
     22       0.0557      0.00000
     23       0.1827      0.00000
     24      -0.8126      0.00000
     25       0.0054      0.00000
     26       0.4891      0.00000
     27      -0.1431      0.00000
     28       0.1294      0.00000
     29      -0.1044      0.00000
     30      -0.1509      0.00000
     31      -0.1521      0.00000
     32       0.4567      0.00000
     33      -0.3223      0.00000
     34       0.0554      0.00000
     35       0.5038      0.00000
     36       0.3249      0.00000
     37      -0.6277      0.00000
     38      -0.2487      0.00000
     39       0.3264      0.00000
     40       0.0798      0.00000

 k-point 148 :      -0.5455    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0471      0.00000
      2      -0.0190      0.00000
      3       0.0514      0.00000
      4       0.2401      0.00000
      5      -0.5677      0.00000
      6       0.3292      0.00000
      7      -0.4220      0.00000
      8      -0.8071      0.00000
      9       0.2003      0.00000
     10       0.0277      0.00000
     11      -0.0222      0.00000
     12       0.0089      0.00000
     13       0.6802      0.00000
     14       0.0928      0.00000
     15       0.1783      0.00000
     16       0.3103      0.00000
     17       0.2030      0.00000
     18       0.1748      0.00000
     19      -0.0673      0.00000
     20      -0.3317      0.00000
     21      -0.4903      0.00000
     22       0.2023      0.00000
     23      -0.1175      0.00000
     24       0.0959      0.00000
     25      -0.4507      0.00000
     26       0.4173      0.00000
     27      -0.1979      0.00000
     28       0.2271      0.00000
     29       0.0070      0.00000
     30       0.4827      0.00000
     31      -0.1886      0.00000
     32      -0.3056      0.00000
     33      -0.3680      0.00000
     34       0.2573      0.00000
     35      -0.4615      0.00000
     36      -0.2141      0.00000
     37      -0.2269      0.00000
     38      -0.2152      0.00000
     39       0.0466      0.00000
     40       0.6286      0.00000

 k-point 149 :      -0.4545    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0165      0.00000
      2      -0.0352      0.00000
      3       0.0205      0.00000
      4       0.0856      0.00000
      5      -0.2868      0.00000
      6       0.5529      0.00000
      7      -0.7470      0.00000
      8      -0.4936      0.00000
      9       0.0888      0.00000
     10      -0.0118      0.00000
     11      -0.0192      0.00000
     12       0.0125      0.00000
     13       0.6332      0.00000
     14       0.0606      0.00000
     15       0.1217      0.00000
     16       0.5350      0.00000
     17       0.2500      0.00000
     18      -0.2782      0.00000
     19      -0.0173      0.00000
     20      -0.3545      0.00000
     21      -0.0053      0.00000
     22      -0.2925      0.00000
     23       0.0293      0.00000
     24       0.0764      0.00000
     25      -0.1639      0.00000
     26       0.4130      0.00000
     27      -0.0036      0.00000
     28      -0.4209      0.00000
     29      -0.2810      0.00000
     30       0.3701      0.00000
     31       0.2566      0.00000
     32       0.0234      0.00000
     33      -0.2492      0.00000
     34       0.2377      0.00000
     35      -0.6324      0.00000
     36      -0.1187      0.00000
     37      -0.3415      0.00000
     38      -0.1485      0.00000
     39       0.0535      0.00000
     40       0.8399      0.00000

 k-point 150 :      -0.3636    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0011      0.00000
      2      -0.0292      0.00000
      3       0.0032      0.00000
      4      -0.0245      0.00000
      5       0.4365      0.00000
      6       0.1003      0.00000
      7      -0.7956      0.00000
      8      -0.2521      0.00000
      9       0.0252      0.00000
     10       0.0347      0.00000
     11      -0.0165      0.00000
     12       0.0285      0.00000
     13       0.4581      0.00000
     14       0.0126      0.00000
     15       0.5556      0.00000
     16       0.0085      0.00000
     17       0.0692      0.00000
     18      -0.3607      0.00000
     19      -0.0072      0.00000
     20      -0.2538      0.00000
     21       0.1244      0.00000
     22      -0.2470      0.00000
     23      -0.9375      0.00000
     24       0.8681      0.00000
     25       0.1850      0.00000
     26       0.1417      0.00000
     27       0.6408      0.00000
     28      -1.1445      0.00000
     29      -0.0165      0.00000
     30      -0.1144      0.00000
     31       0.3606      0.00000
     32       0.4995      0.00000
     33      -0.0768      0.00000
     34       0.2542      0.00000
     35      -1.4031      0.00000
     36      -0.2245      0.00000
     37       1.6561      0.00000
     38      -0.2543      0.00000
     39      -0.0950      0.00000
     40      -0.5212      0.00000

 k-point 151 :      -0.2727    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0123      0.00000
      2      -0.0160      0.00000
      3      -0.1191      0.00000
      4       0.0098      0.00000
      5       0.4601      0.00000
      6       0.2006      0.00000
      7      -0.6771      0.00000
      8      -0.0837      0.00000
      9       0.0005      0.00000
     10       0.0422      0.00000
     11      -0.0179      0.00000
     12       0.0500      0.00000
     13       0.3306      0.00000
     14      -0.0441      0.00000
     15       0.1912      0.00000
     16       0.0317      0.00000
     17      -0.4643      0.00000
     18       0.0960      0.00000
     19       0.0009      0.00000
     20      -0.1080      0.00000
     21       0.0591      0.00000
     22      -0.0017      0.00000
     23       0.2989      0.00000
     24      -0.1588      0.00000
     25       0.1019      0.00000
     26      -0.1313      0.00000
     27       0.4289      0.00000
     28      -0.8953      0.00000
     29       0.1902      0.00000
     30      -0.3869      0.00000
     31       0.2540      0.00000
     32       0.7282      0.00000
     33      -0.0055      0.00000
     34      -0.0901      0.00000
     35      -0.2687      0.00000
     36      -0.1440      0.00000
     37       0.9969      0.00000
     38      -0.8613      0.00000
     39      -0.2360      0.00000
     40       0.4232      0.00000

 k-point 152 :      -0.1818    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0166      0.00000
      2      -0.0024      0.00000
      3      -0.3048      0.00000
      4       0.0976      0.00000
      5       0.2771      0.00000
      6       0.2114      0.00000
      7      -0.4366      0.00000
      8       0.2235      0.00000
      9      -0.0554      0.00000
     10       0.0478      0.00000
     11      -0.0225      0.00000
     12       0.0742      0.00000
     13       0.1773      0.00000
     14      -0.1428      0.00000
     15      -0.1408      0.00000
     16       0.0404      0.00000
     17      -0.3068      0.00000
     18       0.0397      0.00000
     19       0.0206      0.00000
     20      -0.0061      0.00000
     21       0.0085      0.00000
     22       0.2452      0.00000
     23       0.9214      0.00000
     24       0.0351      0.00000
     25      -0.4332      0.00000
     26      -0.7595      0.00000
     27      -0.0909      0.00000
     28      -0.0224      0.00000
     29       0.3923      0.00000
     30       0.0581      0.00000
     31      -0.1374      0.00000
     32       0.3943      0.00000
     33      -0.2964      0.00000
     34       0.1818      0.00000
     35      -0.0179      0.00000
     36      -0.6944      0.00000
     37       0.2254      0.00000
     38      -0.1992      0.00000
     39       0.2704      0.00000
     40      -0.2361      0.00000

 k-point 153 :      -0.0909    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0131      0.00000
      2       0.0079      0.00000
      3      -0.2882      0.00000
      4      -0.0283      0.00000
      5      -0.3065      0.00000
      6       0.5727      0.00000
      7      -0.0179      0.00000
      8       0.2873      0.00000
      9      -0.1262      0.00000
     10       0.0906      0.00000
     11      -0.0298      0.00000
     12       0.0739      0.00000
     13       0.0058      0.00000
     14      -0.0653      0.00000
     15      -0.7091      0.00000
     16       0.4492      0.00000
     17      -0.2504      0.00000
     18       0.0420      0.00000
     19       0.0278      0.00000
     20       0.0506      0.00000
     21      -0.0115      0.00000
     22       0.5220      0.00000
     23       0.6128      0.00000
     24       1.0772      0.00000
     25      -1.3775      0.00000
     26      -1.0388      0.00000
     27      -0.0468      0.00000
     28       0.3717      0.00000
     29       0.0692      0.00000
     30       0.7260      0.00000
     31      -0.7076      0.00000
     32       0.3995      0.00000
     33      -0.2916      0.00000
     34       0.3125      0.00000
     35      -0.2879      0.00000
     36       0.4430      0.00000
     37      -0.1966      0.00000
     38      -0.5678      0.00000
     39      -0.0559      0.00000
     40      -0.2917      0.00000

 k-point 154 :      -0.0000    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0089      0.00000
      2       0.0208      0.00000
      3       0.0767      0.00000
      4      -0.2719      0.00000
      5       0.3965      0.00000
      6      -0.4244      0.00000
      7       0.3475      0.00000
      8       0.2349      0.00000
      9      -0.0336      0.00000
     10       0.0035      0.00000
     11      -0.0058      0.00000
     12       0.0462      0.00000
     13      -0.1927      0.00000
     14       0.0163      0.00000
     15      -0.5259      0.00000
     16       0.0690      0.00000
     17       0.0867      0.00000
     18      -0.1874      0.00000
     19       0.0318      0.00000
     20       0.1200      0.00000
     21      -0.0530      0.00000
     22       0.5265      0.00000
     23       0.1733      0.00000
     24       0.0547      0.00000
     25      -0.5493      0.00000
     26      -0.2589      0.00000
     27       0.3772      0.00000
     28      -0.1193      0.00000
     29      -0.2570      0.00000
     30       0.0704      0.00000
     31       0.1744      0.00000
     32       0.3253      0.00000
     33       0.5995      0.00000
     34      -0.1887      0.00000
     35       0.1584      0.00000
     36       0.1829      0.00000
     37      -1.5325      0.00000
     38      -0.0334      0.00000
     39       0.3362      0.00000
     40       0.5053      0.00000

 k-point 155 :       0.0909    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0074      0.00000
      2       0.0204      0.00000
      3       0.0731      0.00000
      4      -0.0819      0.00000
      5       0.2822      0.00000
      6      -0.6205      0.00000
      7       0.5045      0.00000
      8      -0.0681      0.00000
      9       0.0487      0.00000
     10       0.0315      0.00000
     11       0.0158      0.00000
     12      -0.0138      0.00000
     13      -0.1280      0.00000
     14       0.1378      0.00000
     15      -0.4049      0.00000
     16       0.0255      0.00000
     17      -0.0962      0.00000
     18       0.1519      0.00000
     19      -0.0541      0.00000
     20       0.1121      0.00000
     21      -0.0271      0.00000
     22       0.3934      0.00000
     23       0.2465      0.00000
     24      -0.5825      0.00000
     25      -0.3841      0.00000
     26       0.3815      0.00000
     27       0.1423      0.00000
     28      -0.0011      0.00000
     29      -0.5104      0.00000
     30      -0.0141      0.00000
     31      -0.0981      0.00000
     32       0.7311      0.00000
     33       0.2734      0.00000
     34       0.1748      0.00000
     35      -0.0846      0.00000
     36       0.4111      0.00000
     37      -1.0098      0.00000
     38       0.1212      0.00000
     39       0.0998      0.00000
     40      -0.1814      0.00000

 k-point 156 :       0.1818    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0251      0.00000
      2       0.0189      0.00000
      3       0.0127      0.00000
      4       0.1549      0.00000
      5      -0.0183      0.00000
      6      -0.4823      0.00000
      7       0.3046      0.00000
      8      -0.1647      0.00000
      9       0.0111      0.00000
     10       0.0972      0.00000
     11       0.0689      0.00000
     12      -0.0482      0.00000
     13      -0.0249      0.00000
     14       0.3530      0.00000
     15      -0.5064      0.00000
     16       0.1582      0.00000
     17      -0.2370      0.00000
     18       0.4053      0.00000
     19      -0.1717      0.00000
     20       0.1279      0.00000
     21      -0.0206      0.00000
     22       0.3085      0.00000
     23       0.2834      0.00000
     24      -0.7391      0.00000
     25      -0.0966      0.00000
     26       0.1648      0.00000
     27      -0.1223      0.00000
     28       0.3623      0.00000
     29      -0.3450      0.00000
     30      -0.0497      0.00000
     31      -0.2642      0.00000
     32       0.3507      0.00000
     33       0.3522      0.00000
     34      -0.1927      0.00000
     35       0.7295      0.00000
     36      -0.3184      0.00000
     37      -0.2023      0.00000
     38       0.1531      0.00000
     39       0.3190      0.00000
     40      -0.7592      0.00000

 k-point 157 :      -0.5455    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0007      0.00000
      2      -0.0228      0.00000
      3      -0.1545      0.00000
      4       0.1466      0.00000
      5       0.0022      0.00000
      6       0.3452      0.00000
      7      -0.8611      0.00000
      8      -0.1490      0.00000
      9       0.1750      0.00000
     10       0.0175      0.00000
     11      -0.0959      0.00000
     12       0.0141      0.00000
     13       0.6419      0.00000
     14      -0.0213      0.00000
     15       0.0543      0.00000
     16      -0.0145      0.00000
     17       0.4677      0.00000
     18      -0.3711      0.00000
     19       0.0499      0.00000
     20      -0.3162      0.00000
     21      -0.1064      0.00000
     22      -0.0105      0.00000
     23      -0.2396      0.00000
     24       0.5800      0.00000
     25      -0.3656      0.00000
     26       0.1959      0.00000
     27       0.4988      0.00000
     28      -1.0328      0.00000
     29       0.1888      0.00000
     30       0.1943      0.00000
     31       0.2759      0.00000
     32       0.3581      0.00000
     33      -0.2807      0.00000
     34       0.0665      0.00000
     35       0.1543      0.00000
     36      -0.6374      0.00000
     37      -0.3920      0.00000
     38       0.0144      0.00000
     39       0.0437      0.00000
     40       0.4083      0.00000

 k-point 158 :      -0.4545    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0153      0.00000
      2      -0.0223      0.00000
      3      -0.1050      0.00000
      4      -0.0157      0.00000
      5       0.4460      0.00000
      6       0.1978      0.00000
      7      -0.5827      0.00000
      8      -0.3243      0.00000
      9       0.0264      0.00000
     10       0.0110      0.00000
     11      -0.0435      0.00000
     12       0.0989      0.00000
     13       0.3865      0.00000
     14       0.0397      0.00000
     15       0.0524      0.00000
     16       0.3686      0.00000
     17      -0.0777      0.00000
     18      -0.4519      0.00000
     19       0.0331      0.00000
     20      -0.2747      0.00000
     21       0.2384      0.00000
     22      -0.0584      0.00000
     23      -0.2376      0.00000
     24       0.5392      0.00000
     25      -0.2651      0.00000
     26       0.3006      0.00000
     27       0.4986      0.00000
     28      -1.6356      0.00000
     29       0.8198      0.00000
     30      -0.8724      0.00000
     31       0.7728      0.00000
     32       0.8635      0.00000
     33       0.1825      0.00000
     34      -0.2751      0.00000
     35      -0.6356      0.00000
     36       0.2251      0.00000
     37       0.0045      0.00000
     38      -0.3516      0.00000
     39      -0.0430      0.00000
     40       0.3380      0.00000

 k-point 159 :      -0.3636    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0247      0.00000
      2      -0.0125      0.00000
      3      -0.1900      0.00000
      4       0.0521      0.00000
      5       0.4505      0.00000
      6       0.3309      0.00000
      7      -0.6340      0.00000
      8      -0.1225      0.00000
      9      -0.0252      0.00000
     10       0.0604      0.00000
     11      -0.0262      0.00000
     12       0.1027      0.00000
     13       0.2530      0.00000
     14      -0.0086      0.00000
     15       0.1018      0.00000
     16       0.1462      0.00000
     17      -0.4390      0.00000
     18      -0.2517      0.00000
     19       0.0290      0.00000
     20      -0.0959      0.00000
     21       0.2363      0.00000
     22      -0.0038      0.00000
     23       0.2612      0.00000
     24       0.1882      0.00000
     25      -0.2234      0.00000
     26      -0.0323      0.00000
     27       0.3464      0.00000
     28      -1.3323      0.00000
     29       0.6829      0.00000
     30      -0.9104      0.00000
     31       0.1597      0.00000
     32       1.2251      0.00000
     33       0.2290      0.00000
     34       1.0157      0.00000
     35      -1.2428      0.00000
     36       0.4650      0.00000
     37      -0.4928      0.00000
     38       0.2104      0.00000
     39      -0.3487      0.00000
     40      -0.2779      0.00000

 k-point 160 :      -0.2727    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0295      0.00000
      2      -0.0005      0.00000
      3      -0.2995      0.00000
      4       0.1270      0.00000
      5       0.3178      0.00000
      6       0.2453      0.00000
      7      -0.5230      0.00000
      8       0.3183      0.00000
      9      -0.0357      0.00000
     10       0.0304      0.00000
     11      -0.0228      0.00000
     12       0.1005      0.00000
     13       0.1930      0.00000
     14      -0.2375      0.00000
     15      -0.0443      0.00000
     16      -0.0813      0.00000
     17      -0.4504      0.00000
     18      -0.0458      0.00000
     19       0.0499      0.00000
     20       0.0452      0.00000
     21       0.1345      0.00000
     22       0.1191      0.00000
     23       0.6463      0.00000
     24       0.2235      0.00000
     25      -0.3106      0.00000
     26      -0.5947      0.00000
     27       0.1242      0.00000
     28      -0.3331      0.00000
     29       0.1552      0.00000
     30       0.3018      0.00000
     31      -0.0413      0.00000
     32      -0.1691      0.00000
     33       0.0541      0.00000
     34       0.6293      0.00000
     35       0.0894      0.00000
     36       0.3446      0.00000
     37       0.0506      0.00000
     38      -1.0995      0.00000
     39      -0.2288      0.00000
     40      -0.1044      0.00000

 k-point 161 :      -0.1818    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0285      0.00000
      2       0.0103      0.00000
      3      -0.4062      0.00000
      4       0.1387      0.00000
      5      -0.0468      0.00000
      6       0.3597      0.00000
      7      -0.0185      0.00000
      8       0.3950      0.00000
      9      -0.0886      0.00000
     10       0.0191      0.00000
     11      -0.0239      0.00000
     12       0.0996      0.00000
     13       0.0508      0.00000
     14      -0.3237      0.00000
     15      -0.4462      0.00000
     16       0.0345      0.00000
     17      -0.0958      0.00000
     18      -0.1617      0.00000
     19       0.0682      0.00000
     20       0.1057      0.00000
     21      -0.0089      0.00000
     22       0.4026      0.00000
     23       1.0222      0.00000
     24       0.0667      0.00000
     25      -0.7322      0.00000
     26      -0.5920      0.00000
     27      -0.3847      0.00000
     28       0.6777      0.00000
     29       0.0007      0.00000
     30       0.0434      0.00000
     31       0.2272      0.00000
     32      -0.1740      0.00000
     33       0.1298      0.00000
     34       0.1786      0.00000
     35      -0.1799      0.00000
     36       0.0810      0.00000
     37      -0.4820      0.00000
     38       0.1244      0.00000
     39      -0.2122      0.00000
     40      -0.5537      0.00000

 k-point 162 :      -0.0909    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0215      0.00000
      2       0.0176      0.00000
      3      -0.0825      0.00000
      4      -0.2710      0.00000
      5       0.2716      0.00000
      6      -0.0210      0.00000
      7       0.2356      0.00000
      8       0.3558      0.00000
      9      -0.1105      0.00000
     10       0.0238      0.00000
     11      -0.0231      0.00000
     12       0.0874      0.00000
     13      -0.1133      0.00000
     14      -0.0562      0.00000
     15      -0.9665      0.00000
     16       0.3916      0.00000
     17      -0.1132      0.00000
     18      -0.1046      0.00000
     19       0.0663      0.00000
     20       0.1216      0.00000
     21      -0.0802      0.00000
     22       0.6608      0.00000
     23       0.0265      0.00000
     24       0.9005      0.00000
     25      -0.7484      0.00000
     26      -0.8591      0.00000
     27       0.4647      0.00000
     28      -0.2298      0.00000
     29       0.0966      0.00000
     30       0.4741      0.00000
     31       0.1722      0.00000
     32      -0.5649      0.00000
     33       0.6561      0.00000
     34       0.2798      0.00000
     35      -0.1993      0.00000
     36      -0.3103      0.00000
     37      -0.4187      0.00000
     38      -0.5596      0.00000
     39      -0.1327      0.00000
     40       0.6300      0.00000

 k-point 163 :      -0.0000    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0200      0.00000
      2       0.0240      0.00000
      3       0.0859      0.00000
      4      -0.2383      0.00000
      5       0.4360      0.00000
      6      -0.4412      0.00000
      7       0.3443      0.00000
      8       0.3211      0.00000
      9      -0.0319      0.00000
     10       0.0177      0.00000
     11      -0.0084      0.00000
     12       0.0538      0.00000
     13      -0.2571      0.00000
     14      -0.0212      0.00000
     15      -0.4692      0.00000
     16      -0.0783      0.00000
     17      -0.2520      0.00000
     18       0.0245      0.00000
     19       0.0735      0.00000
     20       0.1694      0.00000
     21       0.0440      0.00000
     22       0.2979      0.00000
     23       0.2405      0.00000
     24       0.0825      0.00000
     25      -0.2592      0.00000
     26      -0.3624      0.00000
     27       0.3224      0.00000
     28      -0.1601      0.00000
     29      -0.3175      0.00000
     30       0.1556      0.00000
     31       0.1060      0.00000
     32       0.1753      0.00000
     33       0.5991      0.00000
     34      -0.2418      0.00000
     35       0.4685      0.00000
     36       0.0703      0.00000
     37      -0.1659      0.00000
     38      -0.5638      0.00000
     39      -0.1209      0.00000
     40      -0.0602      0.00000

 k-point 164 :       0.0909    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0098      0.00000
      2       0.0225      0.00000
      3       0.0659      0.00000
      4      -0.1531      0.00000
      5       0.3709      0.00000
      6      -0.4238      0.00000
      7       0.3775      0.00000
      8       0.0392      0.00000
      9      -0.0346      0.00000
     10       0.1018      0.00000
     11       0.0249      0.00000
     12       0.0089      0.00000
     13      -0.1488      0.00000
     14       0.1149      0.00000
     15      -0.9680      0.00000
     16       0.4490      0.00000
     17      -0.0475      0.00000
     18      -0.1422      0.00000
     19      -0.0315      0.00000
     20       0.1661      0.00000
     21       0.2870      0.00000
     22       0.1335      0.00000
     23       0.3469      0.00000
     24      -0.6401      0.00000
     25      -0.2236      0.00000
     26       0.1385      0.00000
     27       0.5134      0.00000
     28      -0.1904      0.00000
     29      -0.9325      0.00000
     30       0.2660      0.00000
     31       0.0054      0.00000
     32       0.4028      0.00000
     33       1.2327      0.00000
     34      -0.4850      0.00000
     35       0.2896      0.00000
     36      -0.0827      0.00000
     37       0.1820      0.00000
     38      -0.1400      0.00000
     39      -0.0413      0.00000
     40      -0.9511      0.00000

 k-point 165 :       0.1818    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0021      0.00000
      2       0.0189      0.00000
      3       0.0608      0.00000
      4      -0.1204      0.00000
      5       0.0630      0.00000
      6      -0.0200      0.00000
      7      -0.2007      0.00000
      8       0.4763      0.00000
      9      -0.1295      0.00000
     10       0.0878      0.00000
     11       0.0986      0.00000
     12       0.0077      0.00000
     13      -0.2234      0.00000
     14       0.2257      0.00000
     15      -0.5611      0.00000
     16       0.2417      0.00000
     17      -0.2326      0.00000
     18       0.0098      0.00000
     19      -0.1509      0.00000
     20       0.1649      0.00000
     21       0.4882      0.00000
     22       0.0074      0.00000
     23       0.3713      0.00000
     24      -0.8356      0.00000
     25       0.0812      0.00000
     26      -0.1106      0.00000
     27       0.5187      0.00000
     28      -0.0319      0.00000
     29      -0.4649      0.00000
     30      -0.1659      0.00000
     31      -0.4834      0.00000
     32       0.5974      0.00000
     33       0.3723      0.00000
     34       0.0366      0.00000
     35       0.6022      0.00000
     36       0.0564      0.00000
     37       0.0570      0.00000
     38      -0.0479      0.00000
     39      -0.0789      0.00000
     40      -0.6692      0.00000

 k-point 166 :       0.2727   -0.6364    0.3333
  band No.  band energies     occupation 
      1       0.0060      0.00000
      2       0.0079      0.00000
      3       0.0578      0.00000
      4      -0.1172      0.00000
      5      -0.0392      0.00000
      6       0.0496      0.00000
      7      -0.2664      0.00000
      8       0.7719      0.00000
      9      -0.1621      0.00000
     10      -0.0607      0.00000
     11       0.1184      0.00000
     12      -0.0384      0.00000
     13      -0.4149      0.00000
     14       0.1906      0.00000
     15      -0.2071      0.00000
     16       0.0684      0.00000
     17      -0.1385      0.00000
     18       0.0552      0.00000
     19      -0.1524      0.00000
     20       0.1163      0.00000
     21       0.3840      0.00000
     22      -0.0687      0.00000
     23       0.4973      0.00000
     24      -0.7356      0.00000
     25       0.2352      0.00000
     26      -0.2455      0.00000
     27       0.1574      0.00000
     28       0.1372      0.00000
     29       0.0003      0.00000
     30      -0.2562      0.00000
     31      -0.0429      0.00000
     32      -0.1108      0.00000
     33       0.0414      0.00000
     34       0.0725      0.00000
     35       0.5065      0.00000
     36       0.0338      0.00000
     37       0.1212      0.00000
     38      -0.7022      0.00000
     39       0.3464      0.00000
     40      -0.0505      0.00000

 k-point 167 :      -0.6364    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0375      0.00000
      2      -0.0237      0.00000
      3      -0.2755      0.00000
      4      -0.1190      0.00000
      5       0.5147      0.00000
      6      -0.0171      0.00000
      7       0.4901      0.00000
      8      -0.2394      0.00000
      9      -0.0638      0.00000
     10      -0.0698      0.00000
     11      -0.1780      0.00000
     12       0.0595      0.00000
     13       0.0556      0.00000
     14      -0.2988      0.00000
     15       0.2012      0.00000
     16      -0.1141      0.00000
     17       0.3554      0.00000
     18      -0.4411      0.00000
     19       0.1701      0.00000
     20       0.1385      0.00000
     21      -0.2379      0.00000
     22      -0.1101      0.00000
     23      -0.3394      0.00000
     24       0.5784      0.00000
     25       0.0215      0.00000
     26       0.2278      0.00000
     27      -0.1821      0.00000
     28      -0.3628      0.00000
     29       0.2602      0.00000
     30      -0.1282      0.00000
     31       0.1673      0.00000
     32       0.2623      0.00000
     33       0.2196      0.00000
     34      -0.3941      0.00000
     35      -0.2719      0.00000
     36      -0.0235      0.00000
     37      -0.0481      0.00000
     38       0.1236      0.00000
     39      -0.0102      0.00000
     40       0.1943      0.00000

 k-point 168 :      -0.5455    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0367      0.00000
      2      -0.0160      0.00000
      3      -0.2162      0.00000
      4       0.0556      0.00000
      5       0.4530      0.00000
      6       0.0715      0.00000
      7      -0.1875      0.00000
      8      -0.0249      0.00000
      9      -0.0321      0.00000
     10       0.0056      0.00000
     11      -0.1300      0.00000
     12       0.0282      0.00000
     13       0.1486      0.00000
     14      -0.1187      0.00000
     15       0.2116      0.00000
     16      -0.1032      0.00000
     17       0.0315      0.00000
     18      -0.4328      0.00000
     19       0.0984      0.00000
     20      -0.0159      0.00000
     21      -0.1927      0.00000
     22       0.1745      0.00000
     23      -0.2555      0.00000
     24       0.7393      0.00000
     25      -0.3683      0.00000
     26       0.6437      0.00000
     27      -0.3436      0.00000
     28      -0.9802      0.00000
     29       0.7224      0.00000
     30      -0.9912      0.00000
     31       0.7498      0.00000
     32       0.8722      0.00000
     33       0.3283      0.00000
     34      -0.4598      0.00000
     35      -0.3722      0.00000
     36      -0.0226      0.00000
     37       0.0673      0.00000
     38      -0.1908      0.00000
     39       0.3326      0.00000
     40      -0.0793      0.00000

 k-point 169 :      -0.4545    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0399      0.00000
      2      -0.0081      0.00000
      3      -0.2203      0.00000
      4       0.1070      0.00000
      5       0.4888      0.00000
      6       0.0785      0.00000
      7      -0.1690      0.00000
      8      -0.1128      0.00000
      9      -0.0854      0.00000
     10       0.0456      0.00000
     11      -0.0510      0.00000
     12       0.1090      0.00000
     13       0.0518      0.00000
     14      -0.0230      0.00000
     15       0.2042      0.00000
     16       0.0877      0.00000
     17      -0.6101      0.00000
     18      -0.3044      0.00000
     19       0.0846      0.00000
     20       0.0420      0.00000
     21       0.0461      0.00000
     22       0.0798      0.00000
     23       0.1568      0.00000
     24       0.6182      0.00000
     25      -0.5115      0.00000
     26       0.3085      0.00000
     27      -0.1477      0.00000
     28      -0.9187      0.00000
     29       0.5931      0.00000
     30      -0.3757      0.00000
     31      -0.2099      0.00000
     32       0.9736      0.00000
     33       0.5153      0.00000
     34       0.0352      0.00000
     35      -0.1607      0.00000
     36      -0.1280      0.00000
     37       0.3171      0.00000
     38      -0.1483      0.00000
     39       0.3897      0.00000
     40      -0.5366      0.00000

 k-point 170 :      -0.3636    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0423      0.00000
      2       0.0012      0.00000
      3      -0.2573      0.00000
      4       0.1365      0.00000
      5       0.3655      0.00000
      6       0.1987      0.00000
      7      -0.4861      0.00000
      8       0.4049      0.00000
      9      -0.0569      0.00000
     10       0.0262      0.00000
     11      -0.0168      0.00000
     12       0.1008      0.00000
     13      -0.0344      0.00000
     14      -0.1230      0.00000
     15       0.0702      0.00000
     16      -0.1857      0.00000
     17      -0.1538      0.00000
     18      -0.5497      0.00000
     19       0.0997      0.00000
     20       0.1506      0.00000
     21       0.2432      0.00000
     22      -0.0771      0.00000
     23       0.5417      0.00000
     24       0.2196      0.00000
     25      -0.2759      0.00000
     26      -0.3822      0.00000
     27       0.2389      0.00000
     28      -0.4140      0.00000
     29      -0.0835      0.00000
     30      -0.0319      0.00000
     31       0.2915      0.00000
     32      -0.2051      0.00000
     33       0.2159      0.00000
     34       0.5919      0.00000
     35       0.3154      0.00000
     36       0.4575      0.00000
     37      -0.1152      0.00000
     38      -0.2789      0.00000
     39      -0.4754      0.00000
     40       0.0025      0.00000

 k-point 171 :      -0.2727    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0416      0.00000
      2       0.0104      0.00000
      3      -0.3283      0.00000
      4       0.1406      0.00000
      5       0.0977      0.00000
      6       0.3480      0.00000
      7      -0.1343      0.00000
      8       0.5069      0.00000
      9      -0.0241      0.00000
     10      -0.0539      0.00000
     11      -0.0280      0.00000
     12       0.0875      0.00000
     13      -0.1203      0.00000
     14      -0.3584      0.00000
     15      -0.1213      0.00000
     16      -0.3121      0.00000
     17       0.2391      0.00000
     18      -0.5785      0.00000
     19       0.1204      0.00000
     20       0.2000      0.00000
     21       0.0992      0.00000
     22       0.0767      0.00000
     23       0.8484      0.00000
     24      -0.3313      0.00000
     25      -0.1854      0.00000
     26      -0.0191      0.00000
     27      -0.4877      0.00000
     28       0.9135      0.00000
     29      -0.8309      0.00000
     30       0.5033      0.00000
     31       0.3299      0.00000
     32      -0.7077      0.00000
     33      -0.2309      0.00000
     34      -0.4772      0.00000
     35       1.5493      0.00000
     36       0.2423      0.00000
     37       0.0477      0.00000
     38      -0.2143      0.00000
     39      -0.6640      0.00000
     40      -0.1148      0.00000

 k-point 172 :      -0.1818    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0373      0.00000
      2       0.0179      0.00000
      3      -0.2484      0.00000
      4      -0.0518      0.00000
      5      -0.0697      0.00000
      6       0.3837      0.00000
      7       0.2794      0.00000
      8       0.5058      0.00000
      9      -0.0913      0.00000
     10      -0.0520      0.00000
     11      -0.0337      0.00000
     12       0.0862      0.00000
     13      -0.2855      0.00000
     14      -0.3396      0.00000
     15      -0.7112      0.00000
     16       0.1716      0.00000
     17       0.0510      0.00000
     18      -0.2367      0.00000
     19       0.1282      0.00000
     20       0.1996      0.00000
     21      -0.1338      0.00000
     22       0.4301      0.00000
     23       0.6097      0.00000
     24      -0.0774      0.00000
     25      -0.1909      0.00000
     26      -0.3763      0.00000
     27      -0.4378      0.00000
     28       0.7423      0.00000
     29       0.1925      0.00000
     30      -0.2539      0.00000
     31      -0.0900      0.00000
     32       0.0181      0.00000
     33      -0.0811      0.00000
     34      -0.0133      0.00000
     35       0.5504      0.00000
     36      -0.1864      0.00000
     37      -0.0125      0.00000
     38      -0.5319      0.00000
     39      -0.2989      0.00000
     40       0.5056      0.00000

 k-point 173 :      -0.0909    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0297      0.00000
      2       0.0226      0.00000
      3       0.0365      0.00000
      4      -0.3073      0.00000
      5       0.2118      0.00000
      6      -0.0195      0.00000
      7       0.3310      0.00000
      8       0.4961      0.00000
      9      -0.1016      0.00000
     10      -0.0318      0.00000
     11      -0.0212      0.00000
     12       0.0812      0.00000
     13      -0.3669      0.00000
     14      -0.1321      0.00000
     15      -0.5826      0.00000
     16       0.0099      0.00000
     17      -0.2218      0.00000
     18       0.0146      0.00000
     19       0.1203      0.00000
     20       0.1820      0.00000
     21      -0.1233      0.00000
     22       0.4446      0.00000
     23      -0.0405      0.00000
     24       0.6802      0.00000
     25      -0.0473      0.00000
     26      -0.9279      0.00000
     27       0.3897      0.00000
     28      -0.3232      0.00000
     29       0.4971      0.00000
     30       0.2568      0.00000
     31      -0.0960      0.00000
     32      -0.5418      0.00000
     33       0.7275      0.00000
     34       0.0498      0.00000
     35       0.2407      0.00000
     36      -0.3028      0.00000
     37      -0.1946      0.00000
     38      -0.8030      0.00000
     39       0.1893      0.00000
     40       0.3590      0.00000

 k-point 174 :      -0.0000    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0366      0.00000
      2       0.0161      0.00000
      3       0.0678      0.00000
      4      -0.1737      0.00000
      5       0.4346      0.00000
      6      -0.3708      0.00000
      7       0.2310      0.00000
      8       0.4012      0.00000
      9       0.0476      0.00000
     10      -0.0186      0.00000
     11      -0.0104      0.00000
     12      -0.0203      0.00000
     13      -0.2510      0.00000
     14      -0.0441      0.00000
     15      -0.2162      0.00000
     16      -0.1990      0.00000
     17      -0.2787      0.00000
     18      -0.2121      0.00000
     19       0.1241      0.00000
     20       0.2358      0.00000
     21       0.2146      0.00000
     22      -0.0626      0.00000
     23       0.3461      0.00000
     24       0.1850      0.00000
     25      -0.1861      0.00000
     26      -0.3360      0.00000
     27       0.2390      0.00000
     28      -0.2655      0.00000
     29       0.1120      0.00000
     30      -0.3642      0.00000
     31       0.1964      0.00000
     32      -0.0119      0.00000
     33       0.3568      0.00000
     34      -0.0260      0.00000
     35       0.5778      0.00000
     36       0.1796      0.00000
     37       0.0097      0.00000
     38       0.1114      0.00000
     39      -0.0196      0.00000
     40      -0.6732      0.00000

 k-point 175 :       0.0909   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0368      0.00000
      2       0.0118      0.00000
      3       0.0161      0.00000
      4      -0.1267      0.00000
      5       0.2811      0.00000
      6       0.0094      0.00000
      7      -0.0977      0.00000
      8       0.5335      0.00000
      9      -0.0981      0.00000
     10       0.0638      0.00000
     11       0.0175      0.00000
     12      -0.0482      0.00000
     13      -0.2060      0.00000
     14      -0.0188      0.00000
     15      -0.7244      0.00000
     16       0.2720      0.00000
     17       0.1399      0.00000
     18      -0.5626      0.00000
     19       0.0516      0.00000
     20       0.2746      0.00000
     21       0.2698      0.00000
     22      -0.0534      0.00000
     23       0.5647      0.00000
     24      -0.7541      0.00000
     25       0.3857      0.00000
     26      -0.4337      0.00000
     27       0.6381      0.00000
     28      -0.1625      0.00000
     29      -1.0365      0.00000
     30       0.1718      0.00000
     31       0.4859      0.00000
     32      -0.2440      0.00000
     33       0.6453      0.00000
     34       0.2138      0.00000
     35       0.3295      0.00000
     36       0.1778      0.00000
     37       0.0921      0.00000
     38       0.1503      0.00000
     39       0.0501      0.00000
     40      -0.8085      0.00000

 k-point 176 :       0.1818   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0387      0.00000
      2       0.0064      0.00000
      3      -0.0103      0.00000
      4      -0.1991      0.00000
      5       0.1571      0.00000
      6       0.1337      0.00000
      7       0.1910      0.00000
      8       0.6213      0.00000
      9      -0.0487      0.00000
     10      -0.1226      0.00000
     11      -0.0246      0.00000
     12      -0.0079      0.00000
     13      -0.3228      0.00000
     14      -0.2209      0.00000
     15      -0.4562      0.00000
     16       0.0068      0.00000
     17       0.2358      0.00000
     18      -0.4019      0.00000
     19       0.0741      0.00000
     20       0.2759      0.00000
     21       0.1945      0.00000
     22      -0.0953      0.00000
     23       0.6936      0.00000
     24      -0.8702      0.00000
     25       0.2450      0.00000
     26      -0.0803      0.00000
     27       0.2698      0.00000
     28       0.3877      0.00000
     29      -0.8804      0.00000
     30       0.4307      0.00000
     31      -0.0983      0.00000
     32      -0.4972      0.00000
     33      -0.0131      0.00000
     34       0.3959      0.00000
     35       0.8868      0.00000
     36      -0.0110      0.00000
     37      -0.1682      0.00000
     38       0.1662      0.00000
     39      -0.3534      0.00000
     40       0.0113      0.00000

 k-point 177 :       0.2727   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0415      0.00000
      2       0.0022      0.00000
      3      -0.2184      0.00000
      4      -0.0837      0.00000
      5       0.3511      0.00000
      6      -0.0995      0.00000
      7      -0.0806      0.00000
      8       1.2514      0.00000
      9      -0.1386      0.00000
     10      -0.1674      0.00000
     11      -0.0534      0.00000
     12       0.0229      0.00000
     13      -0.6087      0.00000
     14      -0.4369      0.00000
     15       0.1327      0.00000
     16      -0.0928      0.00000
     17       0.0451      0.00000
     18      -0.2549      0.00000
     19       0.2061      0.00000
     20       0.2123      0.00000
     21       0.0228      0.00000
     22      -0.1789      0.00000
     23       0.2352      0.00000
     24      -0.1397      0.00000
     25       0.3147      0.00000
     26       0.3058      0.00000
     27      -0.5540      0.00000
     28       0.3117      0.00000
     29      -0.1914      0.00000
     30       0.0153      0.00000
     31      -0.0824      0.00000
     32      -0.2538      0.00000
     33       0.3579      0.00000
     34      -0.1225      0.00000
     35      -0.1578      0.00000
     36       0.1215      0.00000
     37       0.3564      0.00000
     38       0.0220      0.00000
     39       0.0119      0.00000
     40       0.0141      0.00000

 k-point 178 :       0.3636   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0449      0.00000
      2       0.0001      0.00000
      3      -0.1122      0.00000
      4      -0.1198      0.00000
      5       0.5046      0.00000
      6      -0.3092      0.00000
      7       0.6226      0.00000
      8       0.3307      0.00000
      9      -0.0709      0.00000
     10      -0.1155      0.00000
     11      -0.0764      0.00000
     12      -0.0167      0.00000
     13      -0.4568      0.00000
     14      -0.3186      0.00000
     15       0.3828      0.00000
     16      -0.5519      0.00000
     17       0.0295      0.00000
     18      -0.1846      0.00000
     19       0.2182      0.00000
     20       0.1668      0.00000
     21       0.0021      0.00000
     22      -0.2097      0.00000
     23      -0.2538      0.00000
     24       0.7397      0.00000
     25       0.3695      0.00000
     26      -0.3067      0.00000
     27      -0.3209      0.00000
     28      -0.1952      0.00000
     29       0.4579      0.00000
     30      -0.3168      0.00000
     31       0.6720      0.00000
     32      -0.2918      0.00000
     33      -0.0043      0.00000
     34      -0.2940      0.00000
     35      -0.1407      0.00000
     36       0.1578      0.00000
     37       0.1698      0.00000
     38       0.2632      0.00000
     39       0.0323      0.00000
     40       0.0405      0.00000

 k-point 179 :      -0.5455    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0481      0.00000
      2       0.0005      0.00000
      3      -0.0894      0.00000
      4      -0.0270      0.00000
      5       0.4768      0.00000
      6      -0.1959      0.00000
      7       0.1847      0.00000
      8       0.2483      0.00000
      9      -0.0797      0.00000
     10       0.0540      0.00000
     11      -0.0217      0.00000
     12      -0.1191      0.00000
     13      -0.0992      0.00000
     14      -0.1681      0.00000
     15       0.3493      0.00000
     16      -0.3224      0.00000
     17      -0.6184      0.00000
     18      -0.1228      0.00000
     19       0.1631      0.00000
     20       0.2008      0.00000
     21      -0.0814      0.00000
     22       0.0271      0.00000
     23       0.0493      0.00000
     24       0.8316      0.00000
     25      -0.2956      0.00000
     26       0.0311      0.00000
     27      -0.3485      0.00000
     28      -0.4576      0.00000
     29       0.6969      0.00000
     30      -0.1118      0.00000
     31      -0.1085      0.00000
     32       0.1459      0.00000
     33      -0.2924      0.00000
     34       0.6106      0.00000
     35       0.0953      0.00000
     36      -0.0578      0.00000
     37       0.1525      0.00000
     38       0.1607      0.00000
     39      -0.2736      0.00000
     40       0.0686      0.00000

 k-point 180 :      -0.4545    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0493      0.00000
      2       0.0033      0.00000
      3      -0.1498      0.00000
      4       0.0593      0.00000
      5       0.4070      0.00000
      6       0.0782      0.00000
      7      -0.2740      0.00000
      8       0.4369      0.00000
      9       0.0422      0.00000
     10      -0.0965      0.00000
     11      -0.0074      0.00000
     12      -0.0209      0.00000
     13      -0.0683      0.00000
     14      -0.1189      0.00000
     15       0.0721      0.00000
     16      -0.2382      0.00000
     17      -0.2436      0.00000
     18      -0.5113      0.00000
     19       0.1330      0.00000
     20       0.2665      0.00000
     21       0.0271      0.00000
     22       0.0337      0.00000
     23       0.4584      0.00000
     24       0.2091      0.00000
     25      -0.2207      0.00000
     26      -0.3086      0.00000
     27       0.2412      0.00000
     28      -0.3740      0.00000
     29       0.0467      0.00000
     30      -0.2888      0.00000
     31       0.2510      0.00000
     32      -0.1874      0.00000
     33       0.3179      0.00000
     34       0.1061      0.00000
     35       0.5157      0.00000
     36       0.4166      0.00000
     37       0.2180      0.00000
     38       0.1568      0.00000
     39      -0.3223      0.00000
     40      -0.2247      0.00000

 k-point 181 :      -0.3636    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0482      0.00000
      2       0.0077      0.00000
      3      -0.1831      0.00000
      4       0.0482      0.00000
      5       0.2242      0.00000
      6       0.2285      0.00000
      7      -0.1555      0.00000
      8       0.5925      0.00000
      9       0.0258      0.00000
     10      -0.0738      0.00000
     11      -0.0287      0.00000
     12      -0.0021      0.00000
     13      -0.2262      0.00000
     14      -0.2293      0.00000
     15      -0.4113      0.00000
     16      -0.0104      0.00000
     17       0.2365      0.00000
     18      -0.6850      0.00000
     19       0.1401      0.00000
     20       0.2886      0.00000
     21       0.1353      0.00000
     22      -0.0565      0.00000
     23       0.7284      0.00000
     24      -0.6765      0.00000
     25       0.2030      0.00000
     26      -0.0860      0.00000
     27       0.1141      0.00000
     28       0.2981      0.00000
     29      -0.9737      0.00000
     30       0.1828      0.00000
     31       0.7348      0.00000
     32      -0.7145      0.00000
     33      -0.3339      0.00000
     34       0.4406      0.00000
     35       0.7913      0.00000
     36       0.5516      0.00000
     37       0.0380      0.00000
     38       0.1336      0.00000
     39      -0.5343      0.00000
     40      -0.1155      0.00000

 k-point 182 :      -0.2727    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0453      0.00000
      2       0.0125      0.00000
      3      -0.2247      0.00000
      4      -0.0263      0.00000
      5       0.1618      0.00000
      6       0.1858      0.00000
      7       0.3066      0.00000
      8       0.5996      0.00000
      9      -0.0442      0.00000
     10      -0.0858      0.00000
     11      -0.0478      0.00000
     12       0.0106      0.00000
     13      -0.4623      0.00000
     14      -0.4214      0.00000
     15      -0.1695      0.00000
     16      -0.2273      0.00000
     17       0.1914      0.00000
     18      -0.3705      0.00000
     19       0.1688      0.00000
     20       0.2724      0.00000
     21      -0.0969      0.00000
     22       0.1206      0.00000
     23       0.8564      0.00000
     24      -0.7384      0.00000
     25       0.1242      0.00000
     26       0.3546      0.00000
     27      -0.9171      0.00000
     28       1.2588      0.00000
     29      -1.0690      0.00000
     30       0.5538      0.00000
     31      -0.2479      0.00000
     32      -0.2357      0.00000
     33      -0.0921      0.00000
     34      -0.0684      0.00000
     35       1.1698      0.00000
     36      -0.6010      0.00000
     37       0.5042      0.00000
     38       0.1694      0.00000
     39      -0.2832      0.00000
     40      -0.1447      0.00000

 k-point 183 :      -0.1818    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0416      0.00000
      2       0.0162      0.00000
      3      -0.0332      0.00000
      4      -0.2406      0.00000
      5       0.3051      0.00000
      6      -0.0706      0.00000
      7       0.4424      0.00000
      8       0.6583      0.00000
      9      -0.0999      0.00000
     10      -0.0854      0.00000
     11      -0.0498      0.00000
     12       0.0357      0.00000
     13      -0.6084      0.00000
     14      -0.4138      0.00000
     15       0.3847      0.00000
     16      -0.6932      0.00000
     17      -0.0132      0.00000
     18      -0.1272      0.00000
     19       0.1890      0.00000
     20       0.2266      0.00000
     21       0.0258      0.00000
     22      -0.0159      0.00000
     23      -0.3128      0.00000
     24       0.6627      0.00000
     25       0.2605      0.00000
     26      -0.5778      0.00000
     27       0.1258      0.00000
     28       0.0586      0.00000
     29       0.6260      0.00000
     30      -0.3204      0.00000
     31       0.0076      0.00000
     32      -0.3740      0.00000
     33      -0.1030      0.00000
     34      -0.0450      0.00000
     35      -0.0972      0.00000
     36       0.4372      0.00000
     37       0.5439      0.00000
     38      -0.0047      0.00000
     39      -0.3725      0.00000
     40      -0.0807      0.00000

 k-point 184 :      -0.0909    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0384      0.00000
      2       0.0177      0.00000
      3       0.0624      0.00000
      4      -0.2311      0.00000
      5       0.3818      0.00000
      6      -0.2826      0.00000
      7       0.2966      0.00000
      8       0.6146      0.00000
      9      -0.0323      0.00000
     10      -0.0658      0.00000
     11      -0.0288      0.00000
     12       0.0365      0.00000
     13      -0.4484      0.00000
     14      -0.2037      0.00000
     15       0.5103      0.00000
     16      -0.9263      0.00000
     17      -0.3425      0.00000
     18       0.0400      0.00000
     19       0.1782      0.00000
     20       0.2029      0.00000
     21       0.2345      0.00000
     22      -0.1896      0.00000
     23      -0.0227      0.00000
     24       0.7856      0.00000
     25       0.2263      0.00000
     26      -0.8244      0.00000
     27       0.0178      0.00000
     28      -0.2753      0.00000
     29       0.8079      0.00000
     30      -0.1081      0.00000
     31       0.0344      0.00000
     32      -0.5162      0.00000
     33      -0.4804      0.00000
     34       1.2419      0.00000
     35      -0.3266      0.00000
     36       0.1208      0.00000
     37      -0.0504      0.00000
     38       0.5055      0.00000
     39      -0.2073      0.00000
     40      -0.3767      0.00000

 k-point 185 :      -0.0000    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0032      0.00000
      2       0.0071      0.00000
      3      -0.1781      0.00000
      4       0.0863      0.00000
      5      -0.6537      0.00000
      6      -0.1019      0.00000
      7       0.0210      0.00000
      8       0.8636      0.00000
      9       0.0176      0.00000
     10       0.0342      0.00000
     11      -0.0368      0.00000
     12      -0.0127      0.00000
     13      -0.0595      0.00000
     14       0.0604      0.00000
     15      -0.4502      0.00000
     16       0.1246      0.00000
     17      -0.1528      0.00000
     18       0.3752      0.00000
     19      -0.0198      0.00000
     20       0.0356      0.00000
     21      -0.0320      0.00000
     22       0.0544      0.00000
     23      -0.1096      0.00000
     24       1.3303      0.00000
     25      -1.4735      0.00000
     26       0.1541      0.00000
     27      -0.4490      0.00000
     28       0.5466      0.00000
     29      -0.1647      0.00000
     30       0.6607      0.00000
     31      -0.7590      0.00000
     32       0.3379      0.00000
     33      -0.4733      0.00000
     34       0.5452      0.00000
     35      -0.2317      0.00000
     36       0.1446      0.00000
     37      -0.8701      0.00000
     38       0.8337      0.00000
     39      -0.2472      0.00000
     40       0.1895      0.00000

 k-point 186 :      -0.0000    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0044      0.00000
      2       0.0192      0.00000
      3      -0.2840      0.00000
      4       0.1015      0.00000
      5      -0.4349      0.00000
      6       0.2573      0.00000
      7      -0.0262      0.00000
      8       0.5234      0.00000
      9       0.0074      0.00000
     10       0.0250      0.00000
     11      -0.0267      0.00000
     12       0.0083      0.00000
     13      -0.1425      0.00000
     14       0.1345      0.00000
     15      -0.5121      0.00000
     16       0.0785      0.00000
     17      -0.1822      0.00000
     18       0.2579      0.00000
     19      -0.0420      0.00000
     20       0.0983      0.00000
     21      -0.0469      0.00000
     22       0.1925      0.00000
     23      -0.0257      0.00000
     24       0.9692      0.00000
     25      -1.2593      0.00000
     26       0.1373      0.00000
     27      -0.4310      0.00000
     28       0.4912      0.00000
     29      -0.1890      0.00000
     30       0.4744      0.00000
     31      -0.3478      0.00000
     32       0.2193      0.00000
     33      -0.2590      0.00000
     34       0.5028      0.00000
     35      -0.1580      0.00000
     36       0.2728      0.00000
     37      -1.2569      0.00000
     38       0.8227      0.00000
     39      -0.5362      0.00000
     40       0.3014      0.00000

 k-point 187 :       0.0909    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0185      0.00000
      2       0.0153      0.00000
      3      -0.1130      0.00000
      4       0.1193      0.00000
      5      -0.1363      0.00000
      6       0.3832      0.00000
      7      -0.4405      0.00000
      8       0.0926      0.00000
      9      -0.0025      0.00000
     10       0.0434      0.00000
     11      -0.0657      0.00000
     12       0.0664      0.00000
     13      -0.0910      0.00000
     14       0.2282      0.00000
     15      -0.2038      0.00000
     16       0.1954      0.00000
     17      -0.1210      0.00000
     18       0.0794      0.00000
     19      -0.0859      0.00000
     20       0.0436      0.00000
     21      -0.0058      0.00000
     22       0.1276      0.00000
     23      -0.8909      0.00000
     24       0.6971      0.00000
     25      -0.1657      0.00000
     26       0.3025      0.00000
     27      -0.6090      0.00000
     28       0.4566      0.00000
     29      -0.4578      0.00000
     30       0.3433      0.00000
     31      -0.0659      0.00000
     32       0.4608      0.00000
     33      -0.4558      0.00000
     34       0.2257      0.00000
     35      -0.0621      0.00000
     36       0.4522      0.00000
     37      -1.8533      0.00000
     38       1.4692      0.00000
     39      -0.2101      0.00000
     40      -0.0031      0.00000

 k-point 188 :      -0.0909    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0005      0.00000
      2       0.0218      0.00000
      3      -0.4018      0.00000
      4       0.0935      0.00000
      5      -0.3569      0.00000
      6       0.3445      0.00000
      7       0.0189      0.00000
      8       0.5251      0.00000
      9       0.0183      0.00000
     10       0.0417      0.00000
     11      -0.0680      0.00000
     12       0.0089      0.00000
     13      -0.1683      0.00000
     14       0.1182      0.00000
     15      -0.9921      0.00000
     16       0.1389      0.00000
     17      -0.3369      0.00000
     18       0.7040      0.00000
     19      -0.0645      0.00000
     20       0.1563      0.00000
     21      -0.1402      0.00000
     22       0.2343      0.00000
     23       0.0762      0.00000
     24       1.9856      0.00000
     25      -2.5169      0.00000
     26       0.2164      0.00000
     27      -0.3283      0.00000
     28       0.5647      0.00000
     29      -0.4074      0.00000
     30       0.7591      0.00000
     31      -0.3847      0.00000
     32       0.5446      0.00000
     33      -0.4892      0.00000
     34       0.2381      0.00000
     35      -0.6675      0.00000
     36       1.0405      0.00000
     37      -0.6776      0.00000
     38       0.0200      0.00000
     39      -0.7105      0.00000
     40       0.8259      0.00000

 k-point 189 :      -0.0000    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0049      0.00000
      2       0.0346      0.00000
      3      -0.2988      0.00000
      4       0.1102      0.00000
      5      -0.4840      0.00000
      6       0.3159      0.00000
      7      -0.0146      0.00000
      8       0.6460      0.00000
      9      -0.0078      0.00000
     10       0.0196      0.00000
     11      -0.0177      0.00000
     12       0.0423      0.00000
     13      -0.2778      0.00000
     14       0.1780      0.00000
     15      -0.5578      0.00000
     16       0.0813      0.00000
     17      -0.2601      0.00000
     18       0.1328      0.00000
     19      -0.0706      0.00000
     20       0.1960      0.00000
     21      -0.0762      0.00000
     22       0.3655      0.00000
     23      -0.0403      0.00000
     24       0.7538      0.00000
     25      -0.9770      0.00000
     26       0.1073      0.00000
     27      -0.4381      0.00000
     28       0.4968      0.00000
     29      -0.2311      0.00000
     30       0.2603      0.00000
     31      -0.3058      0.00000
     32       0.2219      0.00000
     33      -0.1365      0.00000
     34       0.9233      0.00000
     35      -0.1121      0.00000
     36       0.5064      0.00000
     37      -1.5338      0.00000
     38       0.4095      0.00000
     39      -0.3005      0.00000
     40       0.2512      0.00000

 k-point 190 :       0.0909    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0137      0.00000
      2       0.0264      0.00000
      3      -0.1573      0.00000
      4       0.0674      0.00000
      5       0.0682      0.00000
      6       0.5426      0.00000
      7      -0.5219      0.00000
      8      -0.0224      0.00000
      9       0.0491      0.00000
     10       0.0460      0.00000
     11      -0.0950      0.00000
     12       0.1135      0.00000
     13      -0.0504      0.00000
     14       0.2121      0.00000
     15      -0.5526      0.00000
     16       0.1260      0.00000
     17      -0.3619      0.00000
     18       0.3671      0.00000
     19      -0.0933      0.00000
     20       0.0821      0.00000
     21      -0.0345      0.00000
     22       0.3466      0.00000
     23      -0.6063      0.00000
     24       0.7170      0.00000
     25      -0.3276      0.00000
     26       0.1299      0.00000
     27      -0.5803      0.00000
     28       0.4667      0.00000
     29      -0.9385      0.00000
     30       0.3168      0.00000
     31       0.1538      0.00000
     32       0.7166      0.00000
     33       0.0818      0.00000
     34       0.6512      0.00000
     35      -0.8858      0.00000
     36       0.8523      0.00000
     37      -1.1858      0.00000
     38       0.2767      0.00000
     39      -0.2047      0.00000
     40       0.1994      0.00000

 k-point 191 :       0.1818    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0271      0.00000
      2       0.0205      0.00000
      3      -0.0900      0.00000
      4       0.0896      0.00000
      5       0.0151      0.00000
      6       0.3209      0.00000
      7      -0.6029      0.00000
      8      -0.0429      0.00000
      9      -0.0079      0.00000
     10       0.1097      0.00000
     11      -0.0905      0.00000
     12       0.1407      0.00000
     13      -0.0199      0.00000
     14       0.4004      0.00000
     15      -0.3423      0.00000
     16       0.1127      0.00000
     17      -0.4872      0.00000
     18       0.5537      0.00000
     19      -0.2853      0.00000
     20       0.1306      0.00000
     21      -0.0602      0.00000
     22       0.3602      0.00000
     23      -0.7254      0.00000
     24       0.5695      0.00000
     25      -0.2213      0.00000
     26       0.2174      0.00000
     27      -0.7732      0.00000
     28       0.6534      0.00000
     29      -0.9991      0.00000
     30       0.5261      0.00000
     31       0.1052      0.00000
     32       0.8456      0.00000
     33      -0.6028      0.00000
     34       0.3603      0.00000
     35      -0.5709      0.00000
     36       0.9162      0.00000
     37      -0.3790      0.00000
     38      -0.0085      0.00000
     39      -0.3714      0.00000
     40      -0.1755      0.00000

 k-point 192 :      -0.1818    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0013      0.00000
      2       0.0406      0.00000
      3      -0.4324      0.00000
      4       0.1211      0.00000
      5      -0.3718      0.00000
      6       0.3032      0.00000
      7       0.1419      0.00000
      8       0.6996      0.00000
      9      -0.0112      0.00000
     10      -0.0260      0.00000
     11      -0.0341      0.00000
     12       0.0490      0.00000
     13      -0.4434      0.00000
     14       0.1609      0.00000
     15      -0.7682      0.00000
     16      -0.0170      0.00000
     17      -0.3509      0.00000
     18       0.4609      0.00000
     19      -0.1033      0.00000
     20       0.2968      0.00000
     21      -0.2355      0.00000
     22       0.4391      0.00000
     23       0.1060      0.00000
     24       1.2159      0.00000
     25      -1.6192      0.00000
     26       0.1505      0.00000
     27      -0.3270      0.00000
     28       0.5795      0.00000
     29      -0.3538      0.00000
     30       0.5851      0.00000
     31      -0.4187      0.00000
     32       0.0758      0.00000
     33       0.0160      0.00000
     34       0.7093      0.00000
     35      -0.3810      0.00000
     36       0.3785      0.00000
     37      -1.0525      0.00000
     38       0.3102      0.00000
     39      -0.6424      0.00000
     40       0.8331      0.00000

 k-point 193 :      -0.0000    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0052      0.00000
      2       0.0493      0.00000
      3      -0.2657      0.00000
      4       0.1165      0.00000
      5      -0.0021      0.00000
      6       0.7648      0.00000
      7      -0.5225      0.00000
      8       0.3347      0.00000
      9      -0.0098      0.00000
     10       0.0224      0.00000
     11      -0.0284      0.00000
     12       0.0563      0.00000
     13      -0.3784      0.00000
     14       0.1760      0.00000
     15      -0.6210      0.00000
     16       0.1516      0.00000
     17      -0.3949      0.00000
     18       0.0601      0.00000
     19      -0.1083      0.00000
     20       0.3404      0.00000
     21      -0.0679      0.00000
     22       0.3161      0.00000
     23      -0.0812      0.00000
     24       0.7623      0.00000
     25      -0.7276      0.00000
     26       0.0715      0.00000
     27      -0.5040      0.00000
     28       0.5193      0.00000
     29      -0.2844      0.00000
     30       0.2729      0.00000
     31      -0.3384      0.00000
     32       0.1197      0.00000
     33      -0.4370      0.00000
     34       1.2546      0.00000
     35      -0.1194      0.00000
     36       0.7824      0.00000
     37      -0.7480      0.00000
     38       0.0414      0.00000
     39      -0.5087      0.00000
     40       0.0348      0.00000

 k-point 194 :       0.0909    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0092      0.00000
      2       0.0416      0.00000
      3      -0.2069      0.00000
      4       0.0915      0.00000
      5       0.1710      0.00000
      6       0.6736      0.00000
      7      -0.6465      0.00000
      8       0.1062      0.00000
      9      -0.0015      0.00000
     10       0.0457      0.00000
     11      -0.0833      0.00000
     12       0.1329      0.00000
     13      -0.1563      0.00000
     14       0.1813      0.00000
     15      -0.6063      0.00000
     16       0.1550      0.00000
     17      -0.5469      0.00000
     18       0.3088      0.00000
     19      -0.1223      0.00000
     20       0.2245      0.00000
     21      -0.0691      0.00000
     22       0.3704      0.00000
     23      -0.4430      0.00000
     24       0.7239      0.00000
     25      -0.4905      0.00000
     26       0.2831      0.00000
     27      -0.5289      0.00000
     28       0.4201      0.00000
     29      -1.5379      0.00000
     30       0.0908      0.00000
     31       0.2385      0.00000
     32       1.2535      0.00000
     33      -0.6213      0.00000
     34       2.2558      0.00000
     35      -1.0592      0.00000
     36       0.1373      0.00000
     37      -0.1590      0.00000
     38       0.4993      0.00000
     39      -1.3893      0.00000
     40       0.1275      0.00000

 k-point 195 :       0.1818    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0137      0.00000
      2       0.0348      0.00000
      3      -0.2055      0.00000
      4       0.0929      0.00000
      5       0.0731      0.00000
      6       0.3203      0.00000
      7      -0.3197      0.00000
      8       0.2117      0.00000
      9      -0.0752      0.00000
     10       0.0530      0.00000
     11      -0.0755      0.00000
     12       0.0991      0.00000
     13      -0.2023      0.00000
     14       0.2317      0.00000
     15      -0.4338      0.00000
     16       0.1623      0.00000
     17      -0.5133      0.00000
     18       0.3556      0.00000
     19      -0.2097      0.00000
     20       0.2186      0.00000
     21      -0.1205      0.00000
     22       0.4318      0.00000
     23      -0.6698      0.00000
     24       0.6366      0.00000
     25      -0.4776      0.00000
     26       0.6290      0.00000
     27      -0.6613      0.00000
     28       0.4457      0.00000
     29      -0.5840      0.00000
     30       0.0656      0.00000
     31       0.0020      0.00000
     32       0.6616      0.00000
     33      -0.4505      0.00000
     34       0.5268      0.00000
     35      -0.2520      0.00000
     36       0.6857      0.00000
     37      -0.0542      0.00000
     38      -0.0241      0.00000
     39      -0.4502      0.00000
     40      -0.1345      0.00000

 k-point 196 :       0.2727   -0.6364    0.5000
  band No.  band energies     occupation 
      1      -0.0169      0.00000
      2       0.0309      0.00000
      3      -0.2261      0.00000
      4       0.0705      0.00000
      5      -0.0539      0.00000
      6       0.2738      0.00000
      7      -0.2796      0.00000
      8       0.6081      0.00000
      9      -0.1751      0.00000
     10      -0.0234      0.00000
     11      -0.0492      0.00000
     12       0.0606      0.00000
     13      -0.5128      0.00000
     14       0.2924      0.00000
     15      -0.1565      0.00000
     16       0.1352      0.00000
     17      -0.4884      0.00000
     18       0.3882      0.00000
     19      -0.2564      0.00000
     20       0.3874      0.00000
     21      -0.2713      0.00000
     22       0.3086      0.00000
     23      -0.6757      0.00000
     24       0.6261      0.00000
     25      -0.5071      0.00000
     26       0.9039      0.00000
     27      -1.0003      0.00000
     28       0.6421      0.00000
     29      -0.2894      0.00000
     30       0.2442      0.00000
     31      -0.1085      0.00000
     32       0.1098      0.00000
     33      -0.2267      0.00000
     34       0.2902      0.00000
     35      -0.0016      0.00000
     36       0.1125      0.00000
     37      -0.0694      0.00000
     38       0.3139      0.00000
     39      -0.3828      0.00000
     40      -0.0616      0.00000

 k-point 197 :      -0.2727    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0025      0.00000
      2       0.0552      0.00000
      3      -0.3515      0.00000
      4       0.1246      0.00000
      5      -0.3365      0.00000
      6       0.1491      0.00000
      7       0.2596      0.00000
      8       0.8522      0.00000
      9      -0.0806      0.00000
     10      -0.0236      0.00000
     11      -0.0431      0.00000
     12       0.0744      0.00000
     13      -0.6825      0.00000
     14       0.1489      0.00000
     15      -0.5677      0.00000
     16       0.2279      0.00000
     17      -0.5053      0.00000
     18       0.1232      0.00000
     19      -0.1372      0.00000
     20       0.4501      0.00000
     21      -0.1906      0.00000
     22       0.3567      0.00000
     23      -0.0922      0.00000
     24       0.8481      0.00000
     25      -0.8111      0.00000
     26       0.1237      0.00000
     27      -0.6130      0.00000
     28       0.7572      0.00000
     29      -0.4731      0.00000
     30       0.8834      0.00000
     31      -0.8439      0.00000
     32       0.0364      0.00000
     33      -0.3199      0.00000
     34       0.6149      0.00000
     35      -0.0478      0.00000
     36       1.0260      0.00000
     37      -0.9511      0.00000
     38       0.3457      0.00000
     39      -0.6557      0.00000
     40       0.3727      0.00000

 k-point 198 :      -0.1818    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0017      0.00000
      2       0.0573      0.00000
      3      -0.4179      0.00000
      4       0.1222      0.00000
      5      -0.3267      0.00000
      6       0.2648      0.00000
      7       0.2585      0.00000
      8       0.9091      0.00000
      9      -0.0462      0.00000
     10      -0.0986      0.00000
     11      -0.0649      0.00000
     12       0.0858      0.00000
     13      -0.8542      0.00000
     14       0.1216      0.00000
     15      -0.3824      0.00000
     16       0.1452      0.00000
     17      -0.4577      0.00000
     18       0.0870      0.00000
     19      -0.1529      0.00000
     20       0.4885      0.00000
     21      -0.3436      0.00000
     22       0.4409      0.00000
     23      -0.2593      0.00000
     24       1.0205      0.00000
     25      -0.7587      0.00000
     26       0.1293      0.00000
     27      -0.9169      0.00000
     28       1.2369      0.00000
     29      -1.1862      0.00000
     30       1.2700      0.00000
     31      -0.5442      0.00000
     32      -0.1157      0.00000
     33      -0.0749      0.00000
     34       0.5659      0.00000
     35       0.1058      0.00000
     36       0.4321      0.00000
     37      -0.6059      0.00000
     38       0.1461      0.00000
     39      -0.6373      0.00000
     40       0.7209      0.00000

 k-point 199 :      -0.0000    0.4545    0.5000
  band No.  band energies     occupation 
      1      -0.0052      0.00000
      2       0.0584      0.00000
      3      -0.2300      0.00000
      4       0.1179      0.00000
      5       0.0065      0.00000
      6       0.8306      0.00000
      7      -0.4944      0.00000
      8       0.3284      0.00000
      9      -0.0100      0.00000
     10       0.0460      0.00000
     11      -0.0518      0.00000
     12      -0.0249      0.00000
     13      -0.3944      0.00000
     14       0.1984      0.00000
     15      -0.5087      0.00000
     16       0.0341      0.00000
     17      -0.6747      0.00000
     18       0.2044      0.00000
     19      -0.1451      0.00000
     20       0.4826      0.00000
     21      -0.0573      0.00000
     22       0.1938      0.00000
     23      -0.0691      0.00000
     24       0.7916      0.00000
     25      -0.5865      0.00000
     26       0.0455      0.00000
     27      -0.5651      0.00000
     28       0.5203      0.00000
     29      -0.2903      0.00000
     30       0.3511      0.00000
     31      -0.5223      0.00000
     32       0.0859      0.00000
     33      -0.5692      0.00000
     34       1.1322      0.00000
     35      -0.1560      0.00000
     36       1.0036      0.00000
     37      -0.0825      0.00000
     38       0.2308      0.00000
     39       0.0866      0.00000
     40      -0.3490      0.00000

 k-point 200 :       0.0909   -0.5455    0.5000
  band No.  band energies     occupation 
      1      -0.0061      0.00000
      2       0.0551      0.00000
      3      -0.2237      0.00000
      4       0.1029      0.00000
      5       0.0530      0.00000
      6       0.5374      0.00000
      7      -0.1769      0.00000
      8       0.3030      0.00000
      9      -0.0389      0.00000
     10      -0.0091      0.00000
     11      -0.0468      0.00000
     12      -0.0183      0.00000
     13      -0.4151      0.00000
     14       0.2086      0.00000
     15      -0.6322      0.00000
     16       0.1998      0.00000
     17      -0.5979      0.00000
     18       0.2051      0.00000
     19      -0.1699      0.00000
     20       0.4705      0.00000
     21      -0.1076      0.00000
     22       0.2278      0.00000
     23      -0.3766      0.00000
     24       0.7937      0.00000
     25      -0.5634      0.00000
     26       0.4193      0.00000
     27      -0.6717      0.00000
     28       0.5287      0.00000
     29      -0.8986      0.00000
     30       0.6638      0.00000
     31      -0.5202      0.00000
     32       0.5729      0.00000
     33      -0.6855      0.00000
     34       1.0852      0.00000
     35      -0.1795      0.00000
     36       0.8082      0.00000
     37      -0.1010      0.00000
     38       0.2228      0.00000
     39      -0.3924      0.00000
     40       0.1111      0.00000

 k-point 201 :       0.1818   -0.5455    0.5000
  band No.  band energies     occupation 
      1      -0.0066      0.00000
      2       0.0520      0.00000
      3      -0.2694      0.00000
      4       0.0725      0.00000
      5      -0.0733      0.00000
      6       0.3850      0.00000
      7      -0.0435      0.00000
      8       0.8446      0.00000
      9      -0.1937      0.00000
     10      -0.0653      0.00000
     11      -0.0974      0.00000
     12       0.0488      0.00000
     13      -0.7326      0.00000
     14       0.1505      0.00000
     15      -0.4351      0.00000
     16       0.2824      0.00000
     17      -0.4764      0.00000
     18       0.1354      0.00000
     19      -0.2358      0.00000
     20       0.6019      0.00000
     21      -0.2904      0.00000
     22       0.2257      0.00000
     23      -0.6032      0.00000
     24       0.7874      0.00000
     25      -0.4205      0.00000
     26       0.7131      0.00000
     27      -1.0761      0.00000
     28       0.8339      0.00000
     29      -0.7056      0.00000
     30       0.8926      0.00000
     31      -0.5790      0.00000
     32       0.0735      0.00000
     33      -0.2507      0.00000
     34       0.6376      0.00000
     35      -0.2704      0.00000
     36       0.5761      0.00000
     37      -0.0793      0.00000
     38       0.2490      0.00000
     39      -0.3554      0.00000
     40       0.2355      0.00000

 k-point 202 :       0.2727   -0.5455    0.5000
  band No.  band energies     occupation 
      1      -0.0066      0.00000
      2       0.0507      0.00000
      3      -0.3361      0.00000
      4       0.0338      0.00000
      5      -0.0770      0.00000
      6       0.3985      0.00000
      7      -0.0719      0.00000
      8       1.1793      0.00000
      9      -0.3283      0.00000
     10      -0.0698      0.00000
     11      -0.1120      0.00000
     12       0.0707      0.00000
     13      -0.9961      0.00000
     14       0.0828      0.00000
     15      -0.2282      0.00000
     16       0.3411      0.00000
     17      -0.4166      0.00000
     18       0.0950      0.00000
     19      -0.2789      0.00000
     20       0.7669      0.00000
     21      -0.4829      0.00000
     22       0.0715      0.00000
     23      -0.5883      0.00000
     24       0.8853      0.00000
     25      -0.1962      0.00000
     26       0.6276      0.00000
     27      -1.4367      0.00000
     28       1.2099      0.00000
     29      -1.0335      0.00000
     30       1.1691      0.00000
     31      -0.7045      0.00000
     32      -0.0762      0.00000
     33      -0.2350      0.00000
     34       0.9665      0.00000
     35      -0.4171      0.00000
     36       0.2197      0.00000
     37      -0.0646      0.00000
     38       0.7562      0.00000
     39      -0.4583      0.00000
     40       0.3116      0.00000

 k-point 203 :      -0.3636    0.4545    0.5000
  band No.  band energies     occupation 
      1      -0.0041      0.00000
      2       0.0606      0.00000
      3      -0.2667      0.00000
      4       0.1136      0.00000
      5      -0.0776      0.00000
      6       0.2116      0.00000
      7       0.1150      0.00000
      8       0.7100      0.00000
      9      -0.0675      0.00000
     10      -0.0157      0.00000
     11      -0.0927      0.00000
     12       0.0409      0.00000
     13      -0.6598      0.00000
     14       0.1595      0.00000
     15      -0.6185      0.00000
     16       0.2981      0.00000
     17      -0.5981      0.00000
     18       0.1097      0.00000
     19      -0.1718      0.00000
     20       0.5609      0.00000
     21      -0.1455      0.00000
     22       0.2011      0.00000
     23      -0.2770      0.00000
     24       0.8079      0.00000
     25      -0.5109      0.00000
     26       0.2585      0.00000
     27      -0.7619      0.00000
     28       0.7090      0.00000
     29      -0.2947      0.00000
     30       1.3222      0.00000
     31      -1.2818      0.00000
     32      -0.1239      0.00000
     33      -0.9640      0.00000
     34       0.2939      0.00000
     35      -0.3702      0.00000
     36       2.3659      0.00000
     37      -0.2412      0.00000
     38       0.0813      0.00000
     39      -0.3528      0.00000
     40       0.1341      0.00000

 k-point 204 :      -0.2727    0.4545    0.5000
  band No.  band energies     occupation 
      1      -0.0032      0.00000
      2       0.0615      0.00000
      3      -0.3432      0.00000
      4       0.0973      0.00000
      5      -0.1701      0.00000
      6       0.1752      0.00000
      7       0.1714      0.00000
      8       1.1156      0.00000
      9      -0.1219      0.00000
     10      -0.0796      0.00000
     11      -0.1230      0.00000
     12       0.0696      0.00000
     13      -1.0123      0.00000
     14       0.0939      0.00000
     15      -0.4041      0.00000
     16       0.3753      0.00000
     17      -0.4298      0.00000
     18      -0.0384      0.00000
     19      -0.2024      0.00000
     20       0.6417      0.00000
     21      -0.3413      0.00000
     22       0.2460      0.00000
     23      -0.4873      0.00000
     24       0.8736      0.00000
     25      -0.2021      0.00000
     26       0.2172      0.00000
     27      -1.1676      0.00000
     28       1.2342      0.00000
     29      -1.1643      0.00000
     30       1.4874      0.00000
     31      -1.0110      0.00000
     32      -0.0649      0.00000
     33      -0.2145      0.00000
     34       0.8069      0.00000
     35      -0.4605      0.00000
     36       0.7593      0.00000
     37      -0.0932      0.00000
     38       0.6763      0.00000
     39      -0.2055      0.00000
     40       0.3717      0.00000


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


 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.13: real time    3.13
    STRESS:  cpu time    6.98: real time    7.40
    FORCOR:  cpu time    0.35: real time    0.54
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.13: real time    3.14
    STRESS:  cpu time    6.40: real time    6.43
    FORCOR:  cpu time    0.06: real time    0.07
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.12: real time    3.13
    STRESS:  cpu time    6.37: real time    6.39
    FORCOR:  cpu time    0.06: real time    0.07
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.12: real time    3.13
    STRESS:  cpu time    6.35: real time    6.38
    FORCOR:  cpu time    0.06: real time    0.06

 INTERNAL STRAIN TENSOR  FOR ION    1  DIRECTION 1   (eV/Angst):
 -----------------------------------------------------------------------------
    -5.94612  0.00000 -3.78895
     0.00000  5.94375  0.00000
    -3.63378  0.00000  0.00129


 POSITION                   FORCE-CONSTANT FOR ION    1 DIRECTION 1 (eV/Angst/Angst)
 -----------------------------------------------------------------------------------
      0.95120      1.64753      0.00476        -6.844974      0.000000      0.000182
      1.90240      0.00000      2.64717         0.282465     -0.000000     -0.000370
      0.95120      1.64753      2.01669         0.126259     -0.000000      0.000076
      1.90240      0.00000      4.65910         6.436251      0.000000      0.000111
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000000


 BORN EFFECTIVE CHARGE FOR ION    1 DIRECTION 1 :   2.135   0.000   0.000
                   rigid augmentation           :  -8.115   0.000   0.000
                   ionic contribution           :  12.000   0.000   0.000
                   Berry contribution           :  -1.750   0.000   0.000


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


 Linear response progress:
  Degree of freedom:   2/  4
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  6 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.


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


   POT+DIJ:  cpu time    0.30: real time    0.31
    HAMIL1:  cpu time    2.24: real time    2.25
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    6.43: real time    6.46
    LRDIAG:  cpu time    0.18: real time    0.18
    --------------------------------------------
      LOOP:  cpu time    9.33: real time    9.37

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01417793
  -V(xc)+E(xc)   XCENC  =         0.00008015
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20539405
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21949184 eV

  energy without entropy =       -0.21949184


----------------------------------------- Iteration    6(   2)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.25: real time    2.25
    LRDIAG:  cpu time    0.19: real time    0.19
    LRDIIS:  cpu time    7.63: real time    7.66
    LRDIAG:  cpu time    0.18: real time    0.18
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.35: real time   11.40

 Broyden mixing:
  rms(total) = 0.87507E+00    rms(broyden)= 0.87493E+00
  rms(prec ) = 0.11290E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01417793
  -V(xc)+E(xc)   XCENC  =         0.00008015
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20292633
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21702411 eV

  energy without entropy =       -0.21702411


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


   POT+DIJ:  cpu time    0.31: real time    0.31
    HAMIL1:  cpu time    2.25: real time    2.26
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.49: real time    8.53
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.21: real time   12.26

 Broyden mixing:
  rms(total) = 0.53675E+00    rms(broyden)= 0.53673E+00
  rms(prec ) = 0.67877E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0444
  2.0444

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01294642
  -V(xc)+E(xc)   XCENC  =         0.00007334
  PAW double counting   =         0.00021016       -0.00021500
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20358102
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21645894 eV

  energy without entropy =       -0.21645894


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


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.25: real time    2.26
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.37: real time    8.42
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.08: real time   12.15

 Broyden mixing:
  rms(total) = 0.19048E+00    rms(broyden)= 0.19047E+00
  rms(prec ) = 0.28490E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5881
  2.4571  0.7190

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01198021
  -V(xc)+E(xc)   XCENC  =         0.00006636
  PAW double counting   =         0.00096076       -0.00097512
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20397727
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21590547 eV

  energy without entropy =       -0.21590547


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


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.25: real time    2.26
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.19: real time    8.24
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.90: real time   11.97

 Broyden mixing:
  rms(total) = 0.29282E-01    rms(broyden)= 0.29262E-01
  rms(prec ) = 0.49861E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5228
  2.4991  0.7091  1.3603

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01143571
  -V(xc)+E(xc)   XCENC  =         0.00006315
  PAW double counting   =         0.00151827       -0.00153835
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20427669
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21566933 eV

  energy without entropy =       -0.21566933


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


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.25: real time    2.26
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.50: real time    8.55
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.21: real time   12.28

 Broyden mixing:
  rms(total) = 0.13656E-01    rms(broyden)= 0.13655E-01
  rms(prec ) = 0.22449E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6900
  2.5804  2.4263  0.7008  1.0523

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01140804
  -V(xc)+E(xc)   XCENC  =         0.00006283
  PAW double counting   =         0.00163018       -0.00164938
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20429019
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21565459 eV

  energy without entropy =       -0.21565459


----------------------------------------- Iteration    6(   7)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.26: real time    2.26
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.34: real time    8.37
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.06: real time   12.11

 Broyden mixing:
  rms(total) = 0.33497E-02    rms(broyden)= 0.33487E-02
  rms(prec ) = 0.60716E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7169
  2.7488  2.4535  0.7003  1.0539  1.6281

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01138669
  -V(xc)+E(xc)   XCENC  =         0.00006268
  PAW double counting   =         0.00169391       -0.00171241
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20430640
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21564891 eV

  energy without entropy =       -0.21564891


----------------------------------------- Iteration    6(   8)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.25: real time    2.26
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.65: real time    8.69
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.37: real time   12.42

 Broyden mixing:
  rms(total) = 0.92490E-03    rms(broyden)= 0.92480E-03
  rms(prec ) = 0.15933E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6543
  2.8900  2.4752  1.9446  0.7001  1.0383  0.8776

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.01137934
  -V(xc)+E(xc)   XCENC  =         0.00006268
  PAW double counting   =         0.00169147       -0.00170992
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.20431537
  ---------------------------------------------------
  free energy    TOTEN  =        -0.21565048 eV

  energy without entropy =       -0.21565048

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0116      0.00000
      2       0.0723      0.00000
      3       0.4030      0.00000
      4       0.4030      0.00000
      5      -0.9301      0.00000
      6       0.7738      0.00000
      7       0.7738      0.00000
      8      -0.6268      0.00000
      9      -0.0401      0.00000
     10      -0.0401      0.00000
     11       0.0269      0.00000
     12       0.0269      0.00000
     13      -0.5666      0.00000
     14      -0.8499      0.00000
     15      -0.8499      0.00000
     16       0.4601      0.00000
     17      -0.1147      0.00000
     18      -0.1147      0.00000
     19      -0.1115      0.00000
     20       0.5235      0.00000
     21       0.3863      0.00000
     22       0.1045      0.00000
     23       0.1045      0.00000
     24       0.5069      0.00000
     25       0.3415      0.00000
     26       0.3415      0.00000
     27       0.1083      0.00000
     28      -1.0116      0.00000
     29      -1.0116      0.00000
     30       0.2072      0.00000
     31      -0.3395      0.00000
     32      -0.3395      0.00000
     33       0.2433      0.00000
     34       1.6441      0.00000
     35       0.0439      0.00000
     36       0.0439      0.00000
     37      -1.8429      0.00000
     38       0.7524      0.00000
     39       0.7525      0.00000
     40       1.2702      0.00000

 k-point   2 :       0.0909    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0150      0.00000
      2       0.0648      0.00000
      3       0.3462      0.00000
      4       0.3630      0.00000
      5      -0.8531      0.00000
      6       0.6387      0.00000
      7       0.7579      0.00000
      8      -0.4029      0.00000
      9      -0.0376      0.00000
     10      -0.0306      0.00000
     11       0.0271      0.00000
     12      -0.0867      0.00000
     13      -0.5749      0.00000
     14      -0.7596      0.00000
     15      -0.8062      0.00000
     16      -0.0726      0.00000
     17       0.4002      0.00000
     18      -0.0333      0.00000
     19      -0.0987      0.00000
     20       0.4644      0.00000
     21       0.4084      0.00000
     22       0.1197      0.00000
     23      -0.0024      0.00000
     24       0.2867      0.00000
     25       0.6927      0.00000
     26       0.0914      0.00000
     27      -0.6345      0.00000
     28      -0.5695      0.00000
     29       0.0449      0.00000
     30      -0.4476      0.00000
     31       0.3424      0.00000
     32      -0.5034      0.00000
     33       0.1296      0.00000
     34       0.8951      0.00000
     35      -0.0439      0.00000
     36       0.0556      0.00000
     37       0.5591      0.00000
     38      -1.5141      0.00000
     39       0.7547      0.00000
     40       1.3399      0.00000

 k-point   3 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0240      0.00000
      2       0.0446      0.00000
      3       0.3182      0.00000
      4       0.2421      0.00000
      5      -0.1550      0.00000
      6      -0.1319      0.00000
      7       0.7161      0.00000
      8      -0.0123      0.00000
      9      -0.0358      0.00000
     10       0.0002      0.00000
     11       0.0264      0.00000
     12      -0.5255      0.00000
     13      -0.4679      0.00000
     14      -0.5722      0.00000
     15       0.0456      0.00000
     16      -0.6903      0.00000
     17       0.2856      0.00000
     18       0.1849      0.00000
     19      -0.0978      0.00000
     20       0.3266      0.00000
     21       0.4440      0.00000
     22       0.0001      0.00000
     23       0.2294      0.00000
     24      -0.3102      0.00000
     25       1.4994      0.00000
     26      -0.6462      0.00000
     27      -1.2785      0.00000
     28       0.2908      0.00000
     29       0.3816      0.00000
     30      -0.7055      0.00000
     31      -0.1524      0.00000
     32       0.0315      0.00000
     33      -0.5128      0.00000
     34       0.7519      0.00000
     35       0.0861      0.00000
     36       0.4285      0.00000
     37       0.1485      0.00000
     38       0.9972      0.00000
     39       0.7811      0.00000
     40      -1.3839      0.00000

 k-point   4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0356      0.00000
      2       0.0176      0.00000
      3       0.2518      0.00000
      4       0.1762      0.00000
      5       0.0614      0.00000
      6      -0.4622      0.00000
      7       0.6592      0.00000
      8       0.1791      0.00000
      9       0.0870      0.00000
     10       0.0446      0.00000
     11       0.0218      0.00000
     12      -0.6982      0.00000
     13      -0.6050      0.00000
     14      -0.4093      0.00000
     15       0.3225      0.00000
     16      -0.5377      0.00000
     17       0.0678      0.00000
     18       0.4741      0.00000
     19      -0.1145      0.00000
     20       0.1052      0.00000
     21       0.3934      0.00000
     22      -0.1457      0.00000
     23       0.4129      0.00000
     24       1.2171      0.00000
     25      -0.9422      0.00000
     26      -1.0044      0.00000
     27      -0.2016      0.00000
     28       1.0168      0.00000
     29      -0.1045      0.00000
     30      -1.0660      0.00000
     31      -0.0089      0.00000
     32       0.1711      0.00000
     33       0.5407      0.00000
     34      -0.4578      0.00000
     35       0.1256      0.00000
     36       0.3667      0.00000
     37       0.1593      0.00000
     38       0.8906      0.00000
     39      -0.5227      0.00000
     40       0.2913      0.00000

 k-point   5 :       0.3636    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0453      0.00000
      2      -0.0082      0.00000
      3       0.1533      0.00000
      4       0.2502      0.00000
      5      -0.1108      0.00000
      6      -0.4151      0.00000
      7       0.5977      0.00000
      8      -0.5439      0.00000
      9       0.3722      0.00000
     10       0.0715      0.00000
     11       0.0124      0.00000
     12      -0.1847      0.00000
     13      -0.5488      0.00000
     14      -0.2890      0.00000
     15       0.4567      0.00000
     16      -0.3902      0.00000
     17      -0.2187      0.00000
     18       0.7507      0.00000
     19      -0.1350      0.00000
     20      -0.1591      0.00000
     21       0.0540      0.00000
     22      -0.1461      0.00000
     23       0.9941      0.00000
     24       1.0715      0.00000
     25      -1.9183      0.00000
     26      -0.5605      0.00000
     27       0.7990      0.00000
     28      -0.8466      0.00000
     29       1.3847      0.00000
     30      -1.1806      0.00000
     31      -0.2669      0.00000
     32       0.4272      0.00000
     33       0.4507      0.00000
     34       0.1550      0.00000
     35      -0.4266      0.00000
     36       0.9055      0.00000
     37      -0.2824      0.00000
     38      -0.5412      0.00000
     39       0.0407      0.00000
     40      -0.3294      0.00000

 k-point   6 :       0.4545    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0499      0.00000
      2      -0.0247      0.00000
      3       0.0338      0.00000
      4       0.3952      0.00000
      5      -0.2078      0.00000
      6      -0.3948      0.00000
      7      -0.9621      0.00000
      8       0.5526      0.00000
      9      -0.1396      0.00000
     10       0.0715      0.00000
     11       0.0023      0.00000
     12       0.0095      0.00000
     13       0.1182      0.00000
     14       0.7916      0.00000
     15      -0.3104      0.00000
     16      -0.2948      0.00000
     17      -0.4483      0.00000
     18       0.9243      0.00000
     19      -0.1243      0.00000
     20      -0.1327      0.00000
     21      -0.5427      0.00000
     22       0.0232      0.00000
     23       1.4273      0.00000
     24       1.0128      0.00000
     25      -2.2202      0.00000
     26      -0.4955      0.00000
     27       1.2243      0.00000
     28      -0.9113      0.00000
     29      -1.5598      0.00000
     30       1.6339      0.00000
     31      -0.4257      0.00000
     32       0.5645      0.00000
     33       0.3677      0.00000
     34       0.2060      0.00000
     35      -0.2967      0.00000
     36       0.4218      0.00000
     37      -0.0729      0.00000
     38      -0.7654      0.00000
     39       0.0849      0.00000
     40       0.0172      0.00000

 k-point   7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0212      0.00000
      2       0.0509      0.00000
      3       0.3557      0.00000
      4       0.2199      0.00000
      5      -0.8050      0.00000
      6       0.6587      0.00000
      7       0.6466      0.00000
      8      -0.1339      0.00000
      9      -0.0304      0.00000
     10      -0.0179      0.00000
     11       0.0268      0.00000
     12      -0.3400      0.00000
     13      -0.5494      0.00000
     14      -0.6426      0.00000
     15      -0.4326      0.00000
     16      -0.2722      0.00000
     17       0.3194      0.00000
     18       0.1244      0.00000
     19      -0.0982      0.00000
     20       0.3653      0.00000
     21       0.4380      0.00000
     22       0.0420      0.00000
     23       0.2162      0.00000
     24      -0.4690      0.00000
     25       0.8395      0.00000
     26       0.1182      0.00000
     27      -0.9328      0.00000
     28       0.0201      0.00000
     29       0.4585      0.00000
     30      -0.1688      0.00000
     31      -0.4812      0.00000
     32      -0.4152      0.00000
     33      -0.4410      0.00000
     34       0.8408      0.00000
     35       0.1077      0.00000
     36       0.3679      0.00000
     37       0.3330      0.00000
     38       1.1399      0.00000
     39       0.6553      0.00000
     40      -1.3902      0.00000

 k-point   8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0315      0.00000
      2       0.0274      0.00000
      3       0.3121      0.00000
      4       0.1039      0.00000
      5      -0.1402      0.00000
      6      -0.0009      0.00000
      7       0.5271      0.00000
      8       0.2010      0.00000
      9      -0.0176      0.00000
     10       0.0165      0.00000
     11       0.0235      0.00000
     12      -0.7801      0.00000
     13      -0.4439      0.00000
     14      -0.4525      0.00000
     15      -0.1799      0.00000
     16      -0.1898      0.00000
     17       0.1426      0.00000
     18       0.3923      0.00000
     19      -0.1133      0.00000
     20       0.1612      0.00000
     21       0.4439      0.00000
     22      -0.0842      0.00000
     23       0.2185      0.00000
     24       0.1974      0.00000
     25      -0.3134      0.00000
     26       0.2029      0.00000
     27      -0.5061      0.00000
     28      -0.0398      0.00000
     29       0.3420      0.00000
     30      -0.9384      0.00000
     31       0.1753      0.00000
     32      -0.3753      0.00000
     33       1.0298      0.00000
     34      -0.3445      0.00000
     35       0.2234      0.00000
     36       0.2204      0.00000
     37       0.3908      0.00000
     38       0.3399      0.00000
     39       0.3229      0.00000
     40      -0.4221      0.00000

 k-point   9 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0419      0.00000
      2       0.0010      0.00000
      3       0.2055      0.00000
      4       0.1198      0.00000
      5      -0.0996      0.00000
      6      -0.2091      0.00000
      7       0.4520      0.00000
      8       0.0048      0.00000
      9       0.2405      0.00000
     10      -0.0124      0.00000
     11       0.0157      0.00000
     12      -0.3993      0.00000
     13      -0.7462      0.00000
     14      -0.3151      0.00000
     15       0.2388      0.00000
     16      -0.1979      0.00000
     17      -0.0512      0.00000
     18       0.6447      0.00000
     19      -0.1368      0.00000
     20      -0.1752      0.00000
     21       0.2996      0.00000
     22      -0.2145      0.00000
     23       0.6169      0.00000
     24       0.6635      0.00000
     25      -1.0240      0.00000
     26       0.0319      0.00000
     27      -0.1705      0.00000
     28      -0.1700      0.00000
     29       0.4232      0.00000
     30      -0.8222      0.00000
     31      -0.2887      0.00000
     32       0.2642      0.00000
     33       0.4451      0.00000
     34       0.1420      0.00000
     35       0.3468      0.00000
     36       0.3351      0.00000
     37       0.4110      0.00000
     38      -0.1995      0.00000
     39      -0.9713      0.00000
     40       0.3877      0.00000

 k-point  10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0487      0.00000
      2      -0.0203      0.00000
      3       0.0558      0.00000
      4       0.2463      0.00000
      5      -0.1659      0.00000
      6      -0.1938      0.00000
      7      -0.4406      0.00000
      8       0.1000      0.00000
      9       0.1808      0.00000
     10      -0.0488      0.00000
     11       0.0077      0.00000
     12       0.0348      0.00000
     13      -0.1191      0.00000
     14       0.0243      0.00000
     15       0.1744      0.00000
     16      -0.2919      0.00000
     17      -0.2682      0.00000
     18       0.8544      0.00000
     19      -0.1455      0.00000
     20      -0.1797      0.00000
     21      -0.4712      0.00000
     22      -0.0623      0.00000
     23       1.2622      0.00000
     24       0.7979      0.00000
     25      -1.2377      0.00000
     26      -0.2505      0.00000
     27       0.0623      0.00000
     28      -0.6782      0.00000
     29      -0.5939      0.00000
     30       0.7216      0.00000
     31      -0.3868      0.00000
     32       0.4185      0.00000
     33       0.4019      0.00000
     34       0.2346      0.00000
     35       0.1055      0.00000
     36       0.0304      0.00000
     37      -0.1273      0.00000
     38       0.4938      0.00000
     39      -0.8226      0.00000
     40      -0.3550      0.00000

 k-point  11 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0504      0.00000
      2      -0.0290      0.00000
      3      -0.0428      0.00000
      4       0.4195      0.00000
      5      -0.2164      0.00000
      6      -0.0921      0.00000
      7      -1.2354      0.00000
      8       0.4606      0.00000
      9      -0.2391      0.00000
     10       0.1006      0.00000
     11      -0.0037      0.00000
     12       0.0806      0.00000
     13      -0.1262      0.00000
     14       1.3564      0.00000
     15      -0.4932      0.00000
     16      -0.2851      0.00000
     17      -0.3804      0.00000
     18       0.9375      0.00000
     19      -0.1065      0.00000
     20      -0.2563      0.00000
     21      -0.7768      0.00000
     22       0.0660      0.00000
     23       1.4667      0.00000
     24       0.8007      0.00000
     25      -1.0808      0.00000
     26      -0.5047      0.00000
     27       0.1105      0.00000
     28      -0.8198      0.00000
     29      -1.2259      0.00000
     30       1.5603      0.00000
     31      -0.3998      0.00000
     32       0.1648      0.00000
     33       0.7404      0.00000
     34       0.1545      0.00000
     35       0.1871      0.00000
     36      -0.0499      0.00000
     37      -0.0688      0.00000
     38      -0.7236      0.00000
     39      -0.2403      0.00000
     40       0.1790      0.00000

 k-point  12 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0406      0.00000
      2       0.0045      0.00000
      3       0.3057      0.00000
      4      -0.0632      0.00000
      5      -0.5890      0.00000
      6       0.4646      0.00000
      7       0.3436      0.00000
      8       0.3582      0.00000
      9      -0.0267      0.00000
     10      -0.0365      0.00000
     11       0.0168      0.00000
     12      -0.4330      0.00000
     13      -0.7881      0.00000
     14      -0.2941      0.00000
     15      -0.2057      0.00000
     16       0.1849      0.00000
     17       0.7011      0.00000
     18      -0.0548      0.00000
     19      -0.1420      0.00000
     20      -0.2014      0.00000
     21       0.3303      0.00000
     22      -0.1738      0.00000
     23       0.3117      0.00000
     24       0.8101      0.00000
     25      -0.8113      0.00000
     26       0.5678      0.00000
     27      -0.1855      0.00000
     28      -0.8082      0.00000
     29      -0.0399      0.00000
     30      -0.7865      0.00000
     31       0.1749      0.00000
     32       0.1058      0.00000
     33       0.2005      0.00000
     34      -0.1439      0.00000
     35       1.4156      0.00000
     36       0.2356      0.00000
     37       0.3032      0.00000
     38      -0.3776      0.00000
     39      -0.7991      0.00000
     40       0.2227      0.00000

 k-point  13 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0477      0.00000
      2      -0.0174      0.00000
      3       0.0414      0.00000
      4       0.0191      0.00000
      5      -0.2820      0.00000
      6      -0.0194      0.00000
      7       0.1791      0.00000
      8       0.1917      0.00000
      9       0.1786      0.00000
     10      -0.2997      0.00000
     11       0.0134      0.00000
     12       0.0389      0.00000
     13      -0.5499      0.00000
     14      -0.2121      0.00000
     15      -0.1513      0.00000
     16       0.3004      0.00000
     17       0.7395      0.00000
     18       0.0153      0.00000
     19      -0.1626      0.00000
     20      -0.6171      0.00000
     21      -0.0501      0.00000
     22      -0.2709      0.00000
     23       0.9487      0.00000
     24       0.5108      0.00000
     25      -0.3392      0.00000
     26       0.1764      0.00000
     27      -0.2899      0.00000
     28      -0.6095      0.00000
     29      -0.3740      0.00000
     30      -0.0062      0.00000
     31      -0.5157      0.00000
     32       0.4811      0.00000
     33       0.2486      0.00000
     34       0.5361      0.00000
     35       0.2303      0.00000
     36       0.6239      0.00000
     37       0.1056      0.00000
     38      -0.3609      0.00000
     39      -0.5712      0.00000
     40      -0.5459      0.00000

 k-point  14 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0501      0.00000
      2      -0.0321      0.00000
      3      -0.1880      0.00000
      4      -0.0623      0.00000
      5       0.1624      0.00000
      6      -0.1206      0.00000
      7      -0.8606      0.00000
      8       0.3188      0.00000
      9      -0.0459      0.00000
     10      -0.0072      0.00000
     11       0.0547      0.00000
     12       0.0295      0.00000
     13       0.1357      0.00000
     14       0.4790      0.00000
     15       0.0865      0.00000
     16      -0.4012      0.00000
     17       0.1524      0.00000
     18       0.6484      0.00000
     19      -0.1314      0.00000
     20      -0.5317      0.00000
     21      -0.9613      0.00000
     22      -0.0174      0.00000
     23       1.3406      0.00000
     24       0.1176      0.00000
     25       0.2766      0.00000
     26      -0.1147      0.00000
     27      -0.3934      0.00000
     28      -0.5796      0.00000
     29      -0.2124      0.00000
     30       0.1810      0.00000
     31      -0.3786      0.00000
     32       0.1225      0.00000
     33       0.2594      0.00000
     34       0.3604      0.00000
     35       0.3655      0.00000
     36       0.1379      0.00000
     37       0.5285      0.00000
     38      -0.4569      0.00000
     39      -0.8416      0.00000
     40      -0.0424      0.00000

 k-point  15 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.0498      0.00000
      2      -0.0332      0.00000
      3      -0.3552      0.00000
      4       0.1344      0.00000
      5      -0.0749      0.00000
      6      -0.3622      0.00000
      7       0.0546      0.00000
      8       0.4524      0.00000
      9      -0.0576      0.00000
     10      -0.4894      0.00000
     11       0.0716      0.00000
     12      -0.1184      0.00000
     13       0.1484      0.00000
     14      -0.1763      0.00000
     15       0.6948      0.00000
     16      -0.4102      0.00000
     17       1.2982      0.00000
     18      -0.3639      0.00000
     19      -0.1584      0.00000
     20      -1.1651      0.00000
     21      -0.3174      0.00000
     22      -0.3460      0.00000
     23       0.9209      0.00000
     24       0.9166      0.00000
     25       0.0578      0.00000
     26       0.1579      0.00000
     27      -0.3537      0.00000
     28      -0.5685      0.00000
     29      -0.5013      0.00000
     30      -0.5648      0.00000
     31       0.5367      0.00000
     32      -0.3704      0.00000
     33       0.5053      0.00000
     34       0.2299      0.00000
     35       0.4494      0.00000
     36       0.3445      0.00000
     37       0.6446      0.00000
     38      -0.5820      0.00000
     39      -0.9177      0.00000
     40       0.0073      0.00000

 k-point  16 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.0483      0.00000
      2      -0.0412      0.00000
      3      -0.4128      0.00000
      4      -0.0675      0.00000
      5      -0.1201      0.00000
      6       0.3817      0.00000
      7      -1.1485      0.00000
      8       0.0593      0.00000
      9      -0.3188      0.00000
     10       0.1596      0.00000
     11       0.4249      0.00000
     12       0.1089      0.00000
     13       0.1386      0.00000
     14       0.0636      0.00000
     15       0.6425      0.00000
     16      -0.4634      0.00000
     17       0.3768      0.00000
     18       0.7124      0.00000
     19      -0.0755      0.00000
     20      -0.1939      0.00000
     21      -1.7867      0.00000
     22      -0.2951      0.00000
     23       1.1753      0.00000
     24       0.8156      0.00000
     25       0.5378      0.00000
     26      -0.2929      0.00000
     27      -0.2461      0.00000
     28      -0.6169      0.00000
     29      -0.2731      0.00000
     30      -0.5807      0.00000
     31       0.2912      0.00000
     32      -0.1811      0.00000
     33       0.2912      0.00000
     34      -0.0679      0.00000
     35       0.4168      0.00000
     36       0.3534      0.00000
     37       0.2966      0.00000
     38       0.9207      0.00000
     39      -0.7739      0.00000
     40      -1.0151      0.00000

 k-point  17 :       0.0000    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0066      0.00000
      2       0.0660      0.00000
      3       0.4218      0.00000
      4       0.4218      0.00000
      5      -0.9243      0.00000
      6      -0.6990      0.00000
      7       0.7398      0.00000
      8       0.7398      0.00000
      9      -0.0338      0.00000
     10      -0.0338      0.00000
     11       0.0266      0.00000
     12       0.0266      0.00000
     13      -0.4512      0.00000
     14      -0.7984      0.00000
     15      -0.7984      0.00000
     16       0.3019      0.00000
     17      -0.1625      0.00000
     18      -0.1625      0.00000
     19      -0.0079      0.00000
     20       0.3703      0.00000
     21       0.5373      0.00000
     22       0.1138      0.00000
     23       0.1138      0.00000
     24       0.6286      0.00000
     25       0.3158      0.00000
     26       0.3158      0.00000
     27      -0.0467      0.00000
     28      -1.0035      0.00000
     29      -1.0035      0.00000
     30       0.0851      0.00000
     31      -0.4358      0.00000
     32      -0.4358      0.00000
     33       0.3710      0.00000
     34       1.5187      0.00000
     35       0.1089      0.00000
     36       0.1089      0.00000
     37       0.7286      0.00000
     38       0.7286      0.00000
     39      -1.6174      0.00000
     40       1.0649      0.00000

 k-point  18 :       0.0909    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0102      0.00000
      2       0.0589      0.00000
      3      -0.0392      0.00000
      4       0.3591      0.00000
      5       1.2280      0.00000
      6      -2.0974      0.00000
      7       0.7532      0.00000
      8       0.5154      0.00000
      9      -0.0298      0.00000
     10      -0.0532      0.00000
     11       0.0478      0.00000
     12      -0.0279      0.00000
     13      -0.4806      0.00000
     14      -0.3903      0.00000
     15      -0.2544      0.00000
     16      -0.7477      0.00000
     17       0.1048      0.00000
     18      -0.0875      0.00000
     19      -0.0405      0.00000
     20       0.3185      0.00000
     21       0.5412      0.00000
     22       0.2252      0.00000
     23      -0.2589      0.00000
     24       0.7968      0.00000
     25      -0.0212      0.00000
     26       0.5223      0.00000
     27      -0.5257      0.00000
     28      -1.0175      0.00000
     29       0.2103      0.00000
     30      -1.0088      0.00000
     31       0.7025      0.00000
     32      -0.1913      0.00000
     33      -0.4209      0.00000
     34       1.4723      0.00000
     35      -0.0108      0.00000
     36      -0.0852      0.00000
     37       0.6155      0.00000
     38       0.8841      0.00000
     39       1.0199      0.00000
     40      -1.4543      0.00000

 k-point  19 :       0.1818    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0198      0.00000
      2       0.0396      0.00000
      3       0.0666      0.00000
      4       0.9592      0.00000
      5       0.2268      0.00000
      6      -1.5667      0.00000
      7       0.7320      0.00000
      8       0.3143      0.00000
      9      -0.0988      0.00000
     10      -0.0562      0.00000
     11       0.0662      0.00000
     12      -0.0697      0.00000
     13      -0.5854      0.00000
     14      -0.2227      0.00000
     15      -0.3205      0.00000
     16      -0.6205      0.00000
     17       0.2282      0.00000
     18       0.1232      0.00000
     19      -0.0493      0.00000
     20       0.2057      0.00000
     21       0.4621      0.00000
     22       0.0974      0.00000
     23       0.2127      0.00000
     24      -0.7801      0.00000
     25       1.1276      0.00000
     26       0.2094      0.00000
     27      -0.6690      0.00000
     28      -0.3298      0.00000
     29      -0.1630      0.00000
     30      -0.5118      0.00000
     31      -0.5070      0.00000
     32      -0.0138      0.00000
     33       1.3336      0.00000
     34       0.0566      0.00000
     35      -0.3479      0.00000
     36       0.6257      0.00000
     37       0.0431      0.00000
     38       1.0139      0.00000
     39       0.6267      0.00000
     40      -0.8614      0.00000

 k-point  20 :       0.2727    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0321      0.00000
      2       0.0138      0.00000
      3       0.0150      0.00000
      4       0.8725      0.00000
      5       0.0519      0.00000
      6      -1.1450      0.00000
      7       0.6774      0.00000
      8       0.0520      0.00000
      9      -0.1375      0.00000
     10      -0.0539      0.00000
     11       0.0856      0.00000
     12       0.0089      0.00000
     13      -0.7438      0.00000
     14      -0.0319      0.00000
     15      -0.1019      0.00000
     16      -0.4533      0.00000
     17       0.0938      0.00000
     18       0.4058      0.00000
     19      -0.0413      0.00000
     20       0.0296      0.00000
     21       0.2330      0.00000
     22      -0.1763      0.00000
     23       0.6598      0.00000
     24       1.5241      0.00000
     25      -1.5570      0.00000
     26      -0.0453      0.00000
     27      -0.5207      0.00000
     28       0.4919      0.00000
     29      -0.4411      0.00000
     30      -1.1558      0.00000
     31       0.3034      0.00000
     32       0.7515      0.00000
     33       0.3829      0.00000
     34       0.3684      0.00000
     35      -0.8125      0.00000
     36       0.5916      0.00000
     37       1.1382      0.00000
     38       0.0532      0.00000
     39      -0.3371      0.00000
     40      -0.5220      0.00000

 k-point  21 :       0.3636    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0428      0.00000
      2      -0.0108      0.00000
      3      -0.1566      0.00000
      4       0.8963      0.00000
      5      -0.1038      0.00000
      6      -0.8238      0.00000
      7       0.5945      0.00000
      8      -0.5836      0.00000
      9      -0.0705      0.00000
     10      -0.0654      0.00000
     11       0.1057      0.00000
     12       0.2580      0.00000
     13      -0.3526      0.00000
     14       0.1050      0.00000
     15      -0.1087      0.00000
     16      -0.2901      0.00000
     17      -0.1423      0.00000
     18       0.6782      0.00000
     19      -0.0111      0.00000
     20      -0.4088      0.00000
     21       0.5051      0.00000
     22      -0.7281      0.00000
     23       1.2951      0.00000
     24       1.4534      0.00000
     25      -2.1981      0.00000
     26      -0.0960      0.00000
     27      -0.0573      0.00000
     28      -0.7551      0.00000
     29       1.0738      0.00000
     30      -1.0133      0.00000
     31       0.0835      0.00000
     32       0.6300      0.00000
     33       0.2019      0.00000
     34       0.3425      0.00000
     35      -0.6391      0.00000
     36       1.4276      0.00000
     37       0.2798      0.00000
     38      -0.6369      0.00000
     39      -0.6363      0.00000
     40      -1.0598      0.00000

 k-point  22 :       0.4545    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0481      0.00000
      2      -0.0264      0.00000
      3      -0.2345      0.00000
      4       0.6915      0.00000
      5      -0.1825      0.00000
      6      -0.6177      0.00000
      7      -0.8198      0.00000
      8       0.5047      0.00000
      9      -0.2556      0.00000
     10      -0.0247      0.00000
     11       0.0697      0.00000
     12      -0.0221      0.00000
     13       0.6823      0.00000
     14       0.5015      0.00000
     15      -0.4696      0.00000
     16      -0.1838      0.00000
     17      -0.3655      0.00000
     18       0.8512      0.00000
     19      -0.0011      0.00000
     20      -0.5864      0.00000
     21       0.0700      0.00000
     22      -0.3612      0.00000
     23       1.5123      0.00000
     24       1.3741      0.00000
     25      -2.1714      0.00000
     26      -0.4613      0.00000
     27       0.2267      0.00000
     28      -0.8934      0.00000
     29      -0.9964      0.00000
     30       1.4802      0.00000
     31      -0.0010      0.00000
     32       0.6220      0.00000
     33      -0.0373      0.00000
     34       0.0151      0.00000
     35       0.1418      0.00000
     36       0.8858      0.00000
     37      -0.3270      0.00000
     38      -0.5795      0.00000
     39      -0.8991      0.00000
     40      -1.4998      0.00000

 k-point  23 :       0.0909    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0168      0.00000
      2       0.0457      0.00000
      3       0.1777      0.00000
      4       0.1151      0.00000
      5      -0.8982      0.00000
      6       0.7330      0.00000
      7       0.6094      0.00000
      8       0.0024      0.00000
      9      -0.0377      0.00000
     10      -0.0077      0.00000
     11       0.0250      0.00000
     12      -0.1318      0.00000
     13      -0.5304      0.00000
     14      -0.6054      0.00000
     15      -0.1304      0.00000
     16      -0.4520      0.00000
     17       0.1321      0.00000
     18       0.0700      0.00000
     19      -0.0659      0.00000
     20       0.2377      0.00000
     21       0.5604      0.00000
     22      -0.0355      0.00000
     23       0.2575      0.00000
     24       1.0344      0.00000
     25      -0.4006      0.00000
     26      -0.0900      0.00000
     27      -0.9774      0.00000
     28      -0.0762      0.00000
     29      -0.4334      0.00000
     30       0.4497      0.00000
     31      -0.3434      0.00000
     32      -0.1586      0.00000
     33      -0.4369      0.00000
     34       0.8085      0.00000
     35       0.1462      0.00000
     36       0.2575      0.00000
     37       0.5749      0.00000
     38       0.6282      0.00000
     39       0.9831      0.00000
     40      -1.0111      0.00000

 k-point  24 :       0.1818    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0277      0.00000
      2       0.0232      0.00000
      3       0.0915      0.00000
      4       0.5586      0.00000
      5       0.0364      0.00000
      6      -0.5872      0.00000
      7       0.4257      0.00000
      8       0.1405      0.00000
      9      -0.1079      0.00000
     10      -0.0010      0.00000
     11       0.0534      0.00000
     12      -0.1400      0.00000
     13      -0.6661      0.00000
     14      -0.1044      0.00000
     15      -0.3703      0.00000
     16      -0.2994      0.00000
     17       0.5091      0.00000
     18      -0.0704      0.00000
     19      -0.0695      0.00000
     20       0.0894      0.00000
     21       0.3899      0.00000
     22      -0.0746      0.00000
     23       0.2494      0.00000
     24       1.2874      0.00000
     25      -1.2824      0.00000
     26       0.3077      0.00000
     27      -0.1197      0.00000
     28      -0.6903      0.00000
     29      -0.2508      0.00000
     30      -0.5688      0.00000
     31       0.1001      0.00000
     32       0.1569      0.00000
     33       0.2571      0.00000
     34       0.6605      0.00000
     35      -0.0844      0.00000
     36       0.3474      0.00000
     37       0.3132      0.00000
     38       0.6484      0.00000
     39       0.3213      0.00000
     40      -1.0657      0.00000

 k-point  25 :       0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0391      0.00000
      2      -0.0020      0.00000
      3      -0.0848      0.00000
      4       0.7656      0.00000
      5      -0.0493      0.00000
      6      -0.6905      0.00000
      7       0.3932      0.00000
      8      -0.1153      0.00000
      9      -0.1017      0.00000
     10      -0.0065      0.00000
     11       0.0749      0.00000
     12       0.0530      0.00000
     13      -0.6813      0.00000
     14       0.0957      0.00000
     15      -0.1480      0.00000
     16      -0.2236      0.00000
     17       0.7254      0.00000
     18      -0.1513      0.00000
     19      -0.0521      0.00000
     20      -0.2281      0.00000
     21       0.2710      0.00000
     22      -0.3987      0.00000
     23       0.8780      0.00000
     24       1.2756      0.00000
     25      -1.6978      0.00000
     26       0.5894      0.00000
     27      -0.5196      0.00000
     28      -0.6753      0.00000
     29       0.1006      0.00000
     30      -0.6622      0.00000
     31       0.2366      0.00000
     32       0.2247      0.00000
     33       1.1738      0.00000
     34      -0.5385      0.00000
     35       0.5002      0.00000
     36       0.3652      0.00000
     37       0.1927      0.00000
     38      -0.4067      0.00000
     39       0.3385      0.00000
     40      -0.7304      0.00000

 k-point  26 :       0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0467      0.00000
      2      -0.0222      0.00000
      3      -0.2797      0.00000
      4       0.8154      0.00000
      5      -0.1138      0.00000
      6      -0.6087      0.00000
      7      -0.7778      0.00000
      8       0.4594      0.00000
      9      -0.1535      0.00000
     10       0.0347      0.00000
     11       0.0603      0.00000
     12       0.1123      0.00000
     13       0.2140      0.00000
     14       0.2715      0.00000
     15      -0.2740      0.00000
     16      -0.2419      0.00000
     17       0.2521      0.00000
     18       0.3531      0.00000
     19       0.0057      0.00000
     20      -0.8411      0.00000
     21       0.6011      0.00000
     22      -0.7032      0.00000
     23       1.3269      0.00000
     24       1.0902      0.00000
     25      -1.4870      0.00000
     26       0.2395      0.00000
     27      -0.5543      0.00000
     28      -1.0340      0.00000
     29       0.4772      0.00000
     30      -0.0069      0.00000
     31      -0.0723      0.00000
     32      -0.0141      0.00000
     33       1.0128      0.00000
     34      -0.3945      0.00000
     35       0.8286      0.00000
     36       0.1450      0.00000
     37      -0.2948      0.00000
     38      -0.7398      0.00000
     39       0.0227      0.00000
     40       0.1057      0.00000

 k-point  27 :       0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0489      0.00000
      2      -0.0304      0.00000
      3      -0.0659      0.00000
      4       0.2236      0.00000
      5      -0.2199      0.00000
      6      -0.0462      0.00000
      7      -1.0077      0.00000
      8       0.4191      0.00000
      9      -0.1821      0.00000
     10       0.0606      0.00000
     11      -0.0066      0.00000
     12       0.0651      0.00000
     13      -0.1004      0.00000
     14       1.1533      0.00000
     15      -0.3626      0.00000
     16      -0.2537      0.00000
     17      -0.1207      0.00000
     18       0.6584      0.00000
     19      -0.1463      0.00000
     20      -0.2588      0.00000
     21      -0.6552      0.00000
     22       0.0235      0.00000
     23       1.3637      0.00000
     24       0.0866      0.00000
     25      -0.0151      0.00000
     26      -0.4643      0.00000
     27      -0.4823      0.00000
     28      -0.9275      0.00000
     29       0.2308      0.00000
     30       0.3297      0.00000
     31       0.0659      0.00000
     32       0.0113      0.00000
     33       0.6574      0.00000
     34       0.2894      0.00000
     35       0.1969      0.00000
     36      -0.1702      0.00000
     37      -0.0710      0.00000
     38      -0.8309      0.00000
     39      -0.0720      0.00000
     40      -0.1457      0.00000

 k-point  28 :       0.1818    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0377      0.00000
      2       0.0014      0.00000
      3       0.1793      0.00000
      4      -0.0137      0.00000
      5      -0.4063      0.00000
      6       0.3547      0.00000
      7       0.3071      0.00000
      8       0.0360      0.00000
      9      -0.0787      0.00000
     10       0.0734      0.00000
     11       0.0191      0.00000
     12      -0.2301      0.00000
     13      -0.6528      0.00000
     14      -0.0464      0.00000
     15      -0.3029      0.00000
     16       0.0639      0.00000
     17       0.6257      0.00000
     18      -0.0888      0.00000
     19      -0.1241      0.00000
     20      -0.1271      0.00000
     21       0.2720      0.00000
     22      -0.2255      0.00000
     23       0.3369      0.00000
     24       0.8437      0.00000
     25      -0.6497      0.00000
     26      -0.0053      0.00000
     27       0.3569      0.00000
     28      -1.0777      0.00000
     29      -0.4675      0.00000
     30       0.1688      0.00000
     31       0.1141      0.00000
     32      -0.2934      0.00000
     33       0.5035      0.00000
     34       0.7433      0.00000
     35       0.1548      0.00000
     36       0.4112      0.00000
     37       0.1559      0.00000
     38      -0.6334      0.00000
     39      -0.0364      0.00000
     40       0.0040      0.00000

 k-point  29 :       0.2727    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0456      0.00000
      2      -0.0195      0.00000
      3      -0.3026      0.00000
      4       0.3946      0.00000
      5       0.2740      0.00000
      6      -0.6800      0.00000
      7      -0.0498      0.00000
      8       0.2532      0.00000
      9      -0.1155      0.00000
     10      -0.0109      0.00000
     11       0.0389      0.00000
     12       0.0664      0.00000
     13      -0.3449      0.00000
     14       0.1719      0.00000
     15      -0.0498      0.00000
     16      -0.2034      0.00000
     17       1.0077      0.00000
     18      -0.2909      0.00000
     19      -0.0785      0.00000
     20      -0.7233      0.00000
     21       0.5114      0.00000
     22      -0.6353      0.00000
     23       0.5998      0.00000
     24       0.2712      0.00000
     25       0.0788      0.00000
     26       0.4071      0.00000
     27      -0.2173      0.00000
     28      -1.1055      0.00000
     29      -0.1916      0.00000
     30      -0.3676      0.00000
     31       0.1296      0.00000
     32       0.4588      0.00000
     33       0.2074      0.00000
     34       0.5256      0.00000
     35       0.1735      0.00000
     36       0.5224      0.00000
     37      -0.1845      0.00000
     38      -0.4891      0.00000
     39      -0.1767      0.00000
     40      -0.2166      0.00000

 k-point  30 :       0.3636    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0488      0.00000
      2      -0.0333      0.00000
      3      -0.2998      0.00000
      4       0.0531      0.00000
      5       0.2321      0.00000
      6      -0.3794      0.00000
      7      -0.7513      0.00000
      8       0.3876      0.00000
      9      -0.2472      0.00000
     10       0.1403      0.00000
     11       0.0611      0.00000
     12      -0.0252      0.00000
     13       0.3079      0.00000
     14       0.5230      0.00000
     15      -0.0211      0.00000
     16      -0.4445      0.00000
     17       0.9491      0.00000
     18      -0.1483      0.00000
     19       0.0231      0.00000
     20      -1.3663      0.00000
     21       0.1198      0.00000
     22      -0.1988      0.00000
     23       0.9712      0.00000
     24      -0.0335      0.00000
     25       0.4615      0.00000
     26       0.1876      0.00000
     27      -0.4854      0.00000
     28      -0.8507      0.00000
     29       0.0689      0.00000
     30      -0.3234      0.00000
     31       0.4045      0.00000
     32      -0.1290      0.00000
     33       0.4273      0.00000
     34       0.3892      0.00000
     35       0.6175      0.00000
     36      -0.2286      0.00000
     37      -0.5107      0.00000
     38       0.1458      0.00000
     39      -0.8245      0.00000
     40       0.3708      0.00000

 k-point  31 :       0.2727    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0486      0.00000
      2      -0.0342      0.00000
      3      -0.3122      0.00000
      4      -0.0922      0.00000
      5      -0.2643      0.00000
      6      -0.0812      0.00000
      7       0.0289      0.00000
      8       0.2707      0.00000
      9      -0.1644      0.00000
     10      -0.1020      0.00000
     11       0.0765      0.00000
     12      -0.0708      0.00000
     13       0.0376      0.00000
     14       0.1534      0.00000
     15       0.4219      0.00000
     16      -0.3006      0.00000
     17       1.1307      0.00000
     18      -0.3400      0.00000
     19      -0.1317      0.00000
     20      -0.9252      0.00000
     21      -0.2525      0.00000
     22      -0.3780      0.00000
     23       0.3025      0.00000
     24       0.7299      0.00000
     25       0.5068      0.00000
     26       0.0894      0.00000
     27      -0.0283      0.00000
     28      -0.7933      0.00000
     29      -0.1139      0.00000
     30      -0.4971      0.00000
     31       0.4029      0.00000
     32      -0.3078      0.00000
     33       0.4816      0.00000
     34       0.0745      0.00000
     35       0.4115      0.00000
     36       0.7916      0.00000
     37       0.0636      0.00000
     38      -0.6947      0.00000
     39      -0.8187      0.00000
     40       0.1578      0.00000

 k-point  32 :       0.3636    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0477      0.00000
      2      -0.0416      0.00000
      3      -0.3721      0.00000
      4      -0.2372      0.00000
      5      -0.2789      0.00000
      6       0.2741      0.00000
      7      -0.5207      0.00000
      8       0.1720      0.00000
      9      -0.1476      0.00000
     10      -0.0286      0.00000
     11       0.2023      0.00000
     12      -0.0252      0.00000
     13       0.1765      0.00000
     14       0.5282      0.00000
     15       0.1383      0.00000
     16      -0.4288      0.00000
     17       1.2923      0.00000
     18      -0.2660      0.00000
     19      -0.1067      0.00000
     20      -0.2039      0.00000
     21      -1.5279      0.00000
     22      -0.2849      0.00000
     23       0.7973      0.00000
     24       0.5579      0.00000
     25       0.5279      0.00000
     26       0.1031      0.00000
     27      -0.0515      0.00000
     28      -0.6001      0.00000
     29      -0.3195      0.00000
     30      -0.4505      0.00000
     31       0.3695      0.00000
     32      -0.2474      0.00000
     33       0.2263      0.00000
     34       0.2033      0.00000
     35       0.5746      0.00000
     36       0.1550      0.00000
     37       0.4929      0.00000
     38       0.0654      0.00000
     39      -0.5205      0.00000
     40      -0.8939      0.00000

 k-point  33 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0076      0.00000
      2       0.0495      0.00000
      3      -0.7935      0.00000
      4      -0.9031      0.00000
      5       0.4762      0.00000
      6       0.4762      0.00000
      7       0.6564      0.00000
      8       0.6564      0.00000
      9      -0.0171      0.00000
     10      -0.0171      0.00000
     11       0.0204      0.00000
     12       0.0204      0.00000
     13      -0.2379      0.00000
     14       0.1751      0.00000
     15      -0.6598      0.00000
     16      -0.6598      0.00000
     17      -0.2936      0.00000
     18      -0.2936      0.00000
     19      -0.0266      0.00000
     20       0.1216      0.00000
     21       0.7648      0.00000
     22       0.7715      0.00000
     23       0.1455      0.00000
     24       0.1455      0.00000
     25       0.2597      0.00000
     26       0.2597      0.00000
     27      -0.1547      0.00000
     28      -0.0823      0.00000
     29      -0.9908      0.00000
     30      -0.9908      0.00000
     31      -0.7712      0.00000
     32      -0.7712      0.00000
     33       1.4047      0.00000
     34       0.4005      0.00000
     35       0.4005      0.00000
     36       0.8860      0.00000
     37       0.6541      0.00000
     38       0.6541      0.00000
     39       0.3869      0.00000
     40      -1.2453      0.00000

 k-point  34 :       0.0909    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0034      0.00000
      2       0.0432      0.00000
      3      -0.8060      0.00000
      4      -0.0110      0.00000
      5       0.3994      0.00000
      6      -0.2162      0.00000
      7       0.5189      0.00000
      8       0.6839      0.00000
      9      -0.0056      0.00000
     10      -0.0550      0.00000
     11       0.0564      0.00000
     12      -0.0213      0.00000
     13      -0.2677      0.00000
     14       0.1488      0.00000
     15      -0.6647      0.00000
     16      -0.5978      0.00000
     17      -0.1872      0.00000
     18      -0.2274      0.00000
     19      -0.0222      0.00000
     20       0.0974      0.00000
     21       0.7249      0.00000
     22       0.5768      0.00000
     23       0.7730      0.00000
     24      -0.1706      0.00000
     25      -0.4184      0.00000
     26       0.6604      0.00000
     27      -0.5024      0.00000
     28      -0.3208      0.00000
     29      -1.2628      0.00000
     30      -0.8761      0.00000
     31       0.3474      0.00000
     32      -0.1218      0.00000
     33       0.6081      0.00000
     34       0.6828      0.00000
     35      -0.0122      0.00000
     36       0.2338      0.00000
     37       1.0295      0.00000
     38       0.8662      0.00000
     39       0.2720      0.00000
     40      -0.9796      0.00000

 k-point  35 :       0.1818    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0079      0.00000
      2       0.0263      0.00000
      3      -0.2477      0.00000
      4       0.2470      0.00000
      5       0.2680      0.00000
      6      -0.8653      0.00000
      7       0.4722      0.00000
      8       0.6610      0.00000
      9      -0.0883      0.00000
     10      -0.0837      0.00000
     11       0.0901      0.00000
     12      -0.0231      0.00000
     13      -0.3583      0.00000
     14       0.2181      0.00000
     15      -0.7065      0.00000
     16      -0.4459      0.00000
     17      -0.0131      0.00000
     18      -0.0333      0.00000
     19       0.0049      0.00000
     20       0.0398      0.00000
     21       0.4602      0.00000
     22       0.1319      0.00000
     23       1.0738      0.00000
     24       0.3779      0.00000
     25      -1.0980      0.00000
     26       0.6432      0.00000
     27      -0.2342      0.00000
     28      -1.5185      0.00000
     29      -0.7318      0.00000
     30      -0.1800      0.00000
     31       0.1540      0.00000
     32       1.1497      0.00000
     33      -0.1852      0.00000
     34       0.8481      0.00000
     35      -0.3546      0.00000
     36      -0.6433      0.00000
     37       1.0339      0.00000
     38       1.4013      0.00000
     39       0.1293      0.00000
     40       0.0574      0.00000

 k-point  36 :       0.2727    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0228      0.00000
      2       0.0037      0.00000
      3      -0.2102      0.00000
      4       0.5167      0.00000
      5       0.1090      0.00000
      6      -0.9437      0.00000
      7       0.2957      0.00000
      8       0.5819      0.00000
      9      -0.2064      0.00000
     10      -0.1130      0.00000
     11       0.1315      0.00000
     12       0.0364      0.00000
     13      -0.4358      0.00000
     14       0.3670      0.00000
     15      -0.5650      0.00000
     16      -0.2458      0.00000
     17      -0.0377      0.00000
     18       0.2303      0.00000
     19       0.0494      0.00000
     20      -0.0899      0.00000
     21       0.0474      0.00000
     22      -0.1914      0.00000
     23       1.2770      0.00000
     24       1.2371      0.00000
     25      -1.8943      0.00000
     26       0.5097      0.00000
     27      -0.3781      0.00000
     28      -1.3653      0.00000
     29       0.0112      0.00000
     30      -0.3532      0.00000
     31       0.4962      0.00000
     32       0.3656      0.00000
     33      -0.0980      0.00000
     34       1.5022      0.00000
     35      -0.6944      0.00000
     36       1.2984      0.00000
     37      -0.3135      0.00000
     38       0.1170      0.00000
     39      -0.2425      0.00000
     40       0.2838      0.00000

 k-point  37 :       0.3636    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0360      0.00000
      2      -0.0177      0.00000
      3      -0.3793      0.00000
      4       0.6837      0.00000
      5      -0.0272      0.00000
      6      -0.7585      0.00000
      7      -0.1007      0.00000
      8       0.4562      0.00000
      9      -0.2706      0.00000
     10      -0.1513      0.00000
     11       0.1793      0.00000
     12       0.1648      0.00000
     13      -0.0017      0.00000
     14       0.2755      0.00000
     15      -0.4540      0.00000
     16      -0.0496      0.00000
     17       0.4876      0.00000
     18      -0.1771      0.00000
     19       0.1164      0.00000
     20      -0.4230      0.00000
     21       0.7314      0.00000
     22      -1.2100      0.00000
     23       1.6148      0.00000
     24       1.6359      0.00000
     25      -2.1501      0.00000
     26       0.0212      0.00000
     27      -0.5526      0.00000
     28      -1.0607      0.00000
     29       0.6850      0.00000
     30       0.2314      0.00000
     31      -0.4523      0.00000
     32       0.4828      0.00000
     33       0.5289      0.00000
     34       0.3727      0.00000
     35      -0.9471      0.00000
     36       1.6852      0.00000
     37       0.0589      0.00000
     38      -0.7122      0.00000
     39      -0.5010      0.00000
     40      -0.6051      0.00000

 k-point  38 :       0.4545    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0434      0.00000
      2      -0.0311      0.00000
      3      -0.4145      0.00000
      4       0.5209      0.00000
      5      -0.0889      0.00000
      6      -0.5285      0.00000
      7      -0.4633      0.00000
      8       0.3297      0.00000
      9      -0.0967      0.00000
     10      -0.2208      0.00000
     11       0.1320      0.00000
     12       0.0259      0.00000
     13       0.7531      0.00000
     14       0.1671      0.00000
     15      -0.4453      0.00000
     16       0.0777      0.00000
     17       0.6540      0.00000
     18      -0.3192      0.00000
     19       0.0620      0.00000
     20      -0.5613      0.00000
     21       0.3593      0.00000
     22      -0.7819      0.00000
     23       1.5799      0.00000
     24       1.7409      0.00000
     25      -1.8730      0.00000
     26      -0.6498      0.00000
     27      -0.5514      0.00000
     28      -0.8541      0.00000
     29       0.2131      0.00000
     30       1.1991      0.00000
     31      -0.5288      0.00000
     32       0.5792      0.00000
     33       0.4218      0.00000
     34      -0.0328      0.00000
     35      -0.1176      0.00000
     36       0.7834      0.00000
     37      -0.9184      0.00000
     38      -1.0191      0.00000
     39      -1.2038      0.00000
     40       0.3966      0.00000

 k-point  39 :       0.0909    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0044      0.00000
      2       0.0317      0.00000
      3      -0.1439      0.00000
      4      -0.2201      0.00000
      5      -0.2245      0.00000
      6       0.4771      0.00000
      7       0.1636      0.00000
      8       0.5003      0.00000
      9      -0.0453      0.00000
     10      -0.0004      0.00000
     11       0.0184      0.00000
     12      -0.0544      0.00000
     13      -0.3151      0.00000
     14       0.0418      0.00000
     15      -0.5078      0.00000
     16      -0.4595      0.00000
     17      -0.1590      0.00000
     18      -0.0792      0.00000
     19      -0.0316      0.00000
     20       0.0725      0.00000
     21       0.6675      0.00000
     22      -0.0737      0.00000
     23       1.1650      0.00000
     24       0.3721      0.00000
     25      -0.2751      0.00000
     26      -0.1315      0.00000
     27      -1.1740      0.00000
     28      -0.3727      0.00000
     29      -0.6634      0.00000
     30       0.1394      0.00000
     31       0.0201      0.00000
     32       0.1189      0.00000
     33       0.6077      0.00000
     34      -0.1068      0.00000
     35       0.2459      0.00000
     36       0.2312      0.00000
     37       0.6596      0.00000
     38       0.7970      0.00000
     39       0.3510      0.00000
     40      -0.4148      0.00000

 k-point  40 :       0.1818    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0174      0.00000
      2       0.0120      0.00000
      3      -0.1639      0.00000
      4       0.2854      0.00000
      5      -0.2091      0.00000
      6       0.0517      0.00000
      7       0.0210      0.00000
      8       0.4611      0.00000
      9      -0.1342      0.00000
     10      -0.0341      0.00000
     11       0.0743      0.00000
     12      -0.0571      0.00000
     13      -0.4067      0.00000
     14       0.2158      0.00000
     15      -0.5684      0.00000
     16      -0.2592      0.00000
     17       0.2351      0.00000
     18      -0.1354      0.00000
     19      -0.0060      0.00000
     20      -0.0074      0.00000
     21       0.2666      0.00000
     22      -0.1181      0.00000
     23       0.9635      0.00000
     24       0.9740      0.00000
     25      -1.1612      0.00000
     26       0.2266      0.00000
     27      -0.0258      0.00000
     28      -1.4657      0.00000
     29      -0.6592      0.00000
     30       0.3895      0.00000
     31       0.7503      0.00000
     32      -0.4808      0.00000
     33       0.6989      0.00000
     34       0.3000      0.00000
     35       0.0043      0.00000
     36       0.4861      0.00000
     37      -0.3689      0.00000
     38       0.9688      0.00000
     39      -0.0406      0.00000
     40      -0.2874      0.00000

 k-point  41 :       0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0314      0.00000
      2      -0.0100      0.00000
      3      -0.3232      0.00000
      4       0.5885      0.00000
      5      -0.1195      0.00000
      6      -0.4080      0.00000
      7       0.1154      0.00000
      8       0.2662      0.00000
      9      -0.2436      0.00000
     10      -0.0588      0.00000
     11       0.1274      0.00000
     12       0.0361      0.00000
     13      -0.2904      0.00000
     14       0.3133      0.00000
     15      -0.4102      0.00000
     16      -0.1665      0.00000
     17       0.6495      0.00000
     18      -0.3046      0.00000
     19       0.0537      0.00000
     20      -0.2401      0.00000
     21       0.1120      0.00000
     22      -0.4954      0.00000
     23       1.2851      0.00000
     24       0.9741      0.00000
     25      -1.4423      0.00000
     26       0.6318      0.00000
     27      -0.5316      0.00000
     28      -1.5814      0.00000
     29       0.2632      0.00000
     30       0.1999      0.00000
     31       0.6853      0.00000
     32      -0.4547      0.00000
     33       0.7212      0.00000
     34      -0.8033      0.00000
     35       1.2255      0.00000
     36       0.8717      0.00000
     37      -0.0946      0.00000
     38      -0.3117      0.00000
     39      -0.0410      0.00000
     40      -0.8339      0.00000

 k-point  42 :       0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0414      0.00000
      2      -0.0275      0.00000
      3      -0.5130      0.00000
      4       0.6682      0.00000
      5      -0.1486      0.00000
      6      -0.5035      0.00000
      7       0.0278      0.00000
      8       0.0398      0.00000
      9      -0.3645      0.00000
     10       0.1153      0.00000
     11       0.0642      0.00000
     12       0.0788      0.00000
     13       0.3468      0.00000
     14       0.2147      0.00000
     15      -0.0464      0.00000
     16      -0.3964      0.00000
     17       0.8225      0.00000
     18      -0.3485      0.00000
     19       0.1425      0.00000
     20      -0.6761      0.00000
     21       0.9896      0.00000
     22      -1.3929      0.00000
     23       1.3286      0.00000
     24       0.6431      0.00000
     25      -1.1043      0.00000
     26       0.7564      0.00000
     27      -1.0081      0.00000
     28      -1.2044      0.00000
     29       0.6427      0.00000
     30      -0.0509      0.00000
     31       0.4931      0.00000
     32      -0.2104      0.00000
     33       0.7371      0.00000
     34      -0.5981      0.00000
     35       1.3393      0.00000
     36       0.0550      0.00000
     37      -0.5304      0.00000
     38      -0.5759      0.00000
     39      -0.5525      0.00000
     40      -0.1272      0.00000

 k-point  43 :       0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0450      0.00000
      2      -0.0342      0.00000
      3      -0.1065      0.00000
      4       0.0030      0.00000
      5      -0.1815      0.00000
      6      -0.1372      0.00000
      7      -0.5687      0.00000
      8       0.2849      0.00000
      9      -0.6808      0.00000
     10       0.6056      0.00000
     11       0.0097      0.00000
     12       0.0427      0.00000
     13       0.0419      0.00000
     14       0.7418      0.00000
     15       0.0260      0.00000
     16      -0.3084      0.00000
     17       0.6549      0.00000
     18      -0.2696      0.00000
     19      -0.1725      0.00000
     20      -0.2258      0.00000
     21      -0.4473      0.00000
     22      -0.1086      0.00000
     23       1.1760      0.00000
     24       0.5432      0.00000
     25      -0.0602      0.00000
     26      -0.4783      0.00000
     27      -0.9233      0.00000
     28      -0.8161      0.00000
     29       0.6052      0.00000
     30       0.1253      0.00000
     31       0.0498      0.00000
     32       0.2956      0.00000
     33       0.4620      0.00000
     34       0.2997      0.00000
     35       0.2347      0.00000
     36       0.1007      0.00000
     37      -0.9598      0.00000
     38      -0.8910      0.00000
     39      -0.4343      0.00000
     40       0.0404      0.00000

 k-point  44 :       0.1818    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0296      0.00000
      2      -0.0070      0.00000
      3      -0.0123      0.00000
      4      -0.0376      0.00000
      5      -0.0902      0.00000
      6       0.2006      0.00000
      7      -0.0187      0.00000
      8       0.1848      0.00000
      9      -0.1420      0.00000
     10       0.0679      0.00000
     11       0.0331      0.00000
     12      -0.1500      0.00000
     13      -0.3067      0.00000
     14       0.0796      0.00000
     15      -0.3109      0.00000
     16       0.0394      0.00000
     17       0.4099      0.00000
     18      -0.2036      0.00000
     19      -0.0766      0.00000
     20      -0.0487      0.00000
     21       0.0975      0.00000
     22      -0.3436      0.00000
     23       0.4386      0.00000
     24       0.9541      0.00000
     25      -0.3260      0.00000
     26      -0.0034      0.00000
     27      -0.0939      0.00000
     28      -1.3092      0.00000
     29      -0.4420      0.00000
     30       0.2954      0.00000
     31       0.3700      0.00000
     32      -0.0423      0.00000
     33       0.3873      0.00000
     34       0.0877      0.00000
     35       1.0449      0.00000
     36       0.1933      0.00000
     37       0.2065      0.00000
     38       0.1526      0.00000
     39      -0.5492      0.00000
     40      -0.6948      0.00000

 k-point  45 :       0.2727    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0400      0.00000
      2      -0.0250      0.00000
      3      -0.5460      0.00000
      4       0.5101      0.00000
      5      -0.1188      0.00000
      6      -0.3234      0.00000
      7       0.2565      0.00000
      8       0.0266      0.00000
      9      -0.2718      0.00000
     10       0.0340      0.00000
     11       0.0685      0.00000
     12       0.0039      0.00000
     13      -0.0654      0.00000
     14       0.2369      0.00000
     15       0.2517      0.00000
     16      -0.4260      0.00000
     17       0.7607      0.00000
     18      -0.3352      0.00000
     19       0.0347      0.00000
     20      -0.4647      0.00000
     21       0.3985      0.00000
     22      -0.7729      0.00000
     23       0.5714      0.00000
     24       0.2274      0.00000
     25       0.0714      0.00000
     26       0.7727      0.00000
     27      -0.3154      0.00000
     28      -1.8009      0.00000
     29       0.2402      0.00000
     30       0.1176      0.00000
     31       0.6486      0.00000
     32      -0.6168      0.00000
     33      -0.2326      0.00000
     34       0.7885      0.00000
     35       0.7950      0.00000
     36       0.2482      0.00000
     37      -0.2932      0.00000
     38      -0.1355      0.00000
     39      -0.2641      0.00000
     40      -0.2847      0.00000

 k-point  46 :       0.3636    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0453      0.00000
      2      -0.0365      0.00000
      3      -0.4722      0.00000
      4       0.2637      0.00000
      5      -0.3358      0.00000
      6      -0.1699      0.00000
      7       0.2944      0.00000
      8      -0.2456      0.00000
      9      -0.3966      0.00000
     10       0.2156      0.00000
     11       0.0774      0.00000
     12      -0.0795      0.00000
     13       0.3826      0.00000
     14       0.2943      0.00000
     15       0.2590      0.00000
     16       0.2528      0.00000
     17       0.2867      0.00000
     18      -0.3837      0.00000
     19       0.1583      0.00000
     20      -0.9664      0.00000
     21       0.3163      0.00000
     22      -0.5682      0.00000
     23       0.5397      0.00000
     24       0.1223      0.00000
     25       0.1734      0.00000
     26       0.7511      0.00000
     27      -0.5829      0.00000
     28      -1.1547      0.00000
     29       0.2770      0.00000
     30      -0.2552      0.00000
     31       0.8959      0.00000
     32      -0.6337      0.00000
     33       0.2836      0.00000
     34       0.3111      0.00000
     35       0.8229      0.00000
     36      -0.4413      0.00000
     37      -0.4899      0.00000
     38      -0.2467      0.00000
     39      -0.2675      0.00000
     40      -0.1523      0.00000

 k-point  47 :       0.2727    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0455      0.00000
      2      -0.0372      0.00000
      3      -0.2606      0.00000
      4      -0.2699      0.00000
      5      -0.3791      0.00000
      6       0.0378      0.00000
      7      -1.0816      0.00000
      8       1.4189      0.00000
      9      -0.1778      0.00000
     10      -0.0602      0.00000
     11       0.0490      0.00000
     12       0.0014      0.00000
     13       0.0057      0.00000
     14       0.3024      0.00000
     15       0.4055      0.00000
     16       0.8837      0.00000
     17      -0.2560      0.00000
     18      -0.3394      0.00000
     19      -0.0757      0.00000
     20      -0.4329      0.00000
     21      -0.4591      0.00000
     22      -0.1775      0.00000
     23      -0.0612      0.00000
     24       0.4802      0.00000
     25       0.5506      0.00000
     26       0.6142      0.00000
     27      -0.0188      0.00000
     28      -1.0984      0.00000
     29      -0.0306      0.00000
     30      -0.5059      0.00000
     31       0.3255      0.00000
     32      -0.1490      0.00000
     33       0.1604      0.00000
     34       0.3329      0.00000
     35       0.2025      0.00000
     36       0.2704      0.00000
     37      -0.1527      0.00000
     38      -0.4131      0.00000
     39      -0.1739      0.00000
     40      -0.0443      0.00000

 k-point  48 :       0.3636    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0463      0.00000
      2      -0.0427      0.00000
      3      -0.3196      0.00000
      4      -0.3805      0.00000
      5      -0.3833      0.00000
      6       0.0078      0.00000
      7      -0.0024      0.00000
      8       0.2637      0.00000
      9      -0.0671      0.00000
     10      -0.0416      0.00000
     11       0.0082      0.00000
     12      -0.0314      0.00000
     13       0.1126      0.00000
     14       0.3255      0.00000
     15       0.4668      0.00000
     16       1.1654      0.00000
     17      -0.3951      0.00000
     18      -0.3696      0.00000
     19      -0.0889      0.00000
     20      -0.1978      0.00000
     21      -1.0039      0.00000
     22      -0.2548      0.00000
     23       0.3715      0.00000
     24       0.2632      0.00000
     25       0.3648      0.00000
     26       0.5399      0.00000
     27       0.2988      0.00000
     28      -0.4526      0.00000
     29      -0.5851      0.00000
     30      -0.6069      0.00000
     31       0.3830      0.00000
     32      -0.0423      0.00000
     33       0.1734      0.00000
     34       0.2531      0.00000
     35       0.0018      0.00000
     36      -0.2176      0.00000
     37      -0.0626      0.00000
     38       0.1149      0.00000
     39      -0.3066      0.00000
     40       0.0938      0.00000

 k-point  49 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0330      0.00000
      2       3.0889      0.00000
      3      -1.8190      0.00000
      4       0.0975      0.00000
      5      -1.4558      0.00000
      6      -1.4558      0.00000
      7       2.5745      0.00000
      8       2.5745      0.00000
      9      -0.2433      0.00000
     10      -0.2433      0.00000
     11       0.2513      0.00000
     12       0.2513      0.00000
     13      -1.6868      0.00000
     14       1.6621      0.00000
     15      -1.7657      0.00000
     16      -1.7657      0.00000
     17       0.8159      0.00000
     18       0.8159      0.00000
     19      -1.3604      0.00000
     20       1.3390      0.00000
     21      -0.9394      0.00000
     22       2.6210      0.00000
     23      -1.1718      0.00000
     24      -1.1718      0.00000
     25       1.5678      0.00000
     26       1.5678      0.00000
     27      -2.1706      0.00000
     28       1.8560      0.00000
     29      -1.9211      0.00000
     30      -1.9211      0.00000
     31      -0.0214      0.00000
     32      -0.0214      0.00000
     33      -0.5735      0.00000
     34       3.3893      0.00000
     35      -0.0084      0.00000
     36      -0.0084      0.00000
     37       1.1929      0.00000
     38       1.1929      0.00000
     39      -4.0575      0.00000
     40       3.1561      0.00000

 k-point  50 :       0.0909    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0373      0.00000
      2       3.0828      0.00000
      3      -0.9474      0.00000
      4      -0.1751      0.00000
      5      -1.4624      0.00000
      6      -1.1438      0.00000
      7       1.7156      0.00000
      8       2.5262      0.00000
      9      -0.2703      0.00000
     10       0.2795      0.00000
     11      -0.2744      0.00000
     12       0.2499      0.00000
     13      -1.5858      0.00000
     14       1.5068      0.00000
     15      -1.4752      0.00000
     16       0.6107      0.00000
     17      -1.7828      0.00000
     18       0.9634      0.00000
     19      -1.3544      0.00000
     20       1.3381      0.00000
     21      -0.9473      0.00000
     22       2.4764      0.00000
     23      -0.9781      0.00000
     24       1.6152      0.00000
     25      -1.0869      0.00000
     26       1.2188      0.00000
     27      -1.6716      0.00000
     28       0.0032      0.00000
     29      -1.5769      0.00000
     30      -0.0228      0.00000
     31      -1.0958      0.00000
     32       1.0465      0.00000
     33      -0.0033      0.00000
     34       1.3048      0.00000
     35      -0.1705      0.00000
     36       1.2248      0.00000
     37      -0.2935      0.00000
     38       2.0753      0.00000
     39      -3.3981      0.00000
     40       2.6644      0.00000

 k-point  51 :       0.1818    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0487      0.00000
      2       3.0664      0.00000
      3      -0.7183      0.00000
      4       0.3221      0.00000
      5      -0.8063      0.00000
      6       0.7744      0.00000
      7      -1.4781      0.00000
      8       2.3795      0.00000
      9      -0.3477      0.00000
     10       0.3644      0.00000
     11      -0.3398      0.00000
     12       0.2244      0.00000
     13      -1.0990      0.00000
     14       0.9093      0.00000
     15      -0.6592      0.00000
     16       0.0022      0.00000
     17      -1.8002      0.00000
     18       1.3310      0.00000
     19      -1.2723      0.00000
     20       1.2689      0.00000
     21      -0.8161      0.00000
     22       1.5908      0.00000
     23       0.0648      0.00000
     24       1.4792      0.00000
     25      -1.2733      0.00000
     26       0.7043      0.00000
     27      -2.0352      0.00000
     28       0.0034      0.00000
     29      -1.0078      0.00000
     30       0.2477      0.00000
     31      -1.0195      0.00000
     32       1.9642      0.00000
     33      -0.5450      0.00000
     34       1.0535      0.00000
     35      -0.5079      0.00000
     36       1.3115      0.00000
     37      -0.4025      0.00000
     38       1.6385      0.00000
     39      -2.0428      0.00000
     40       1.0882      0.00000

 k-point  52 :       0.2727    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0641      0.00000
      2       3.0447      0.00000
      3      -1.0589      0.00000
      4       0.9736      0.00000
      5      -0.8148      0.00000
      6       0.5564      0.00000
      7      -1.4881      0.00000
      8       2.1372      0.00000
      9      -0.4744      0.00000
     10       0.5091      0.00000
     11      -0.3754      0.00000
     12       0.1575      0.00000
     13      -0.3788      0.00000
     14       0.2769      0.00000
     15      -0.6907      0.00000
     16       0.1394      0.00000
     17      -1.7919      0.00000
     18       1.7923      0.00000
     19      -1.0932      0.00000
     20       1.0604      0.00000
     21      -0.9116      0.00000
     22       0.7595      0.00000
     23       0.8660      0.00000
     24       1.7624      0.00000
     25      -1.9911      0.00000
     26       0.5590      0.00000
     27      -1.8523      0.00000
     28       0.0945      0.00000
     29      -0.9542      0.00000
     30       1.1961      0.00000
     31      -0.0482      0.00000
     32       0.2242      0.00000
     33      -1.2508      0.00000
     34       2.1737      0.00000
     35      -0.8486      0.00000
     36       1.4619      0.00000
     37      -0.8848      0.00000
     38       1.5518      0.00000
     39      -2.2142      0.00000
     40       0.6846      0.00000

 k-point  53 :       0.3636    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0786      0.00000
      2       3.0248      0.00000
      3      -1.3058      0.00000
      4       1.2538      0.00000
      5      -1.4709      0.00000
      6       1.8427      0.00000
      7      -0.9937      0.00000
      8       0.5803      0.00000
      9      -0.6519      0.00000
     10       0.7025      0.00000
     11      -0.2782      0.00000
     12       0.0688      0.00000
     13      -0.5479      0.00000
     14       0.8224      0.00000
     15      -1.0991      0.00000
     16       0.4569      0.00000
     17      -1.7707      0.00000
     18       2.2314      0.00000
     19      -0.8413      0.00000
     20       0.6780      0.00000
     21      -1.4575      0.00000
     22       0.9616      0.00000
     23       0.5470      0.00000
     24       2.5081      0.00000
     25      -2.7175      0.00000
     26       0.5872      0.00000
     27      -1.6859      0.00000
     28       0.2317      0.00000
     29      -0.5058      0.00000
     30       0.4671      0.00000
     31      -0.9634      0.00000
     32       2.1274      0.00000
     33      -1.3170      0.00000
     34       1.7251      0.00000
     35      -1.2279      0.00000
     36       1.7599      0.00000
     37      -0.9722      0.00000
     38       1.1323      0.00000
     39      -1.0222      0.00000
     40      -0.7178      0.00000

 k-point  54 :       0.4545    0.0000    0.5000
  band No.  band energies     occupation 
      1      -3.0873      0.00000
      2       3.0129      0.00000
      3      -1.4459      0.00000
      4       1.3441      0.00000
      5      -1.4375      0.00000
      6       1.6259      0.00000
      7      -1.1479      0.00000
      8       0.4417      0.00000
      9      -0.8235      0.00000
     10       0.8706      0.00000
     11      -0.1577      0.00000
     12       0.1220      0.00000
     13      -0.6141      0.00000
     14       1.2563      0.00000
     15      -1.7551      0.00000
     16       2.5141      0.00000
     17      -1.2277      0.00000
     18       0.4930      0.00000
     19      -0.3624      0.00000
     20       0.0225      0.00000
     21      -1.6724      0.00000
     22       1.1670      0.00000
     23       0.3711      0.00000
     24       2.7170      0.00000
     25      -3.1170      0.00000
     26       0.6238      0.00000
     27      -1.5220      0.00000
     28       0.3412      0.00000
     29      -0.8787      0.00000
     30       0.8329      0.00000
     31      -0.7941      0.00000
     32       2.6717      0.00000
     33      -1.6465      0.00000
     34       1.6781      0.00000
     35      -1.7826      0.00000
     36       2.1784      0.00000
     37      -1.3678      0.00000
     38      -0.7577      0.00000
     39      -1.4304      0.00000
     40       0.2069      0.00000

 k-point  55 :       0.0909    0.0909    0.5000
  band No.  band energies     occupation 
      1      -3.0451      0.00000
      2       3.0716      0.00000
      3      -0.2823      0.00000
      4      -0.2887      0.00000
      5      -0.4068      0.00000
      6       0.9721      0.00000
      7      -0.9351      0.00000
      8       1.4323      0.00000
      9      -0.3609      0.00000
     10       0.3727      0.00000
     11      -0.3537      0.00000
     12       0.2691      0.00000
     13      -1.2965      0.00000
     14       1.1294      0.00000
     15      -0.8827      0.00000
     16       0.1652      0.00000
     17      -1.7891      0.00000
     18       1.2163      0.00000
     19      -1.3061      0.00000
     20       1.2981      0.00000
     21      -0.8866      0.00000
     22       1.9511      0.00000
     23      -0.2623      0.00000
     24       1.4495      0.00000
     25      -0.8713      0.00000
     26       0.5131      0.00000
     27      -1.9723      0.00000
     28      -0.1617      0.00000
     29      -0.8877      0.00000
     30       0.1493      0.00000
     31      -1.6258      0.00000
     32       2.7096      0.00000
     33      -0.2217      0.00000
     34       0.3127      0.00000
     35      -0.1305      0.00000
     36       1.1067      0.00000
     37      -0.3108      0.00000
     38       1.7829      0.00000
     39      -2.6260      0.00000
     40       1.6836      0.00000

 k-point  56 :       0.1818    0.0909    0.5000
  band No.  band energies     occupation 
      1      -3.0585      0.00000
      2       3.0526      0.00000
      3      -0.6907      0.00000
      4       0.4987      0.00000
      5      -0.3640      0.00000
      6       0.6993      0.00000
      7      -1.0780      0.00000
      8       1.3200      0.00000
      9      -0.4623      0.00000
     10       0.4717      0.00000
     11      -0.3963      0.00000
     12       0.2289      0.00000
     13      -0.5849      0.00000
     14       0.3822      0.00000
     15      -0.5413      0.00000
     16       0.0530      0.00000
     17      -1.7235      0.00000
     18       1.5205      0.00000
     19      -1.1696      0.00000
     20       1.1507      0.00000
     21      -0.7199      0.00000
     22       0.8527      0.00000
     23       1.0173      0.00000
     24       0.9912      0.00000
     25      -1.1646      0.00000
     26       0.2828      0.00000
     27      -1.8480      0.00000
     28       0.0058      0.00000
     29      -1.0331      0.00000
     30       0.7908      0.00000
     31      -0.3972      0.00000
     32       1.3583      0.00000
     33      -1.0798      0.00000
     34       1.4525      0.00000
     35      -0.4655      0.00000
     36       0.9928      0.00000
     37      -0.4239      0.00000
     38       1.4324      0.00000
     39      -1.6669      0.00000
     40       0.5190      0.00000

 k-point  57 :       0.2727    0.0909    0.5000
  band No.  band energies     occupation 
      1      -3.0734      0.00000
      2       3.0319      0.00000
      3      -1.0583      0.00000
      4       0.9620      0.00000
      5      -0.7841      0.00000
      6       0.9544      0.00000
      7      -1.0867      0.00000
      8       1.1131      0.00000
      9      -0.5142      0.00000
     10       0.4439      0.00000
     11      -0.3148      0.00000
     12       0.1858      0.00000
     13      -0.4221      0.00000
     14       0.4742      0.00000
     15      -0.9945      0.00000
     16       1.0094      0.00000
     17      -1.2119      0.00000
     18       0.9705      0.00000
     19      -0.9754      0.00000
     20       0.8809      0.00000
     21      -1.2342      0.00000
     22       0.7881      0.00000
     23       0.2908      0.00000
     24       1.8912      0.00000
     25      -1.4827      0.00000
     26       0.5375      0.00000
     27      -1.7414      0.00000
     28       0.0435      0.00000
     29      -1.0739      0.00000
     30       1.3645      0.00000
     31      -0.8483      0.00000
     32       1.2320      0.00000
     33      -0.1210      0.00000
     34       0.5939      0.00000
     35      -0.0127      0.00000
     36       0.9861      0.00000
     37      -0.8796      0.00000
     38       1.3022      0.00000
     39      -1.3529      0.00000
     40       0.0608      0.00000

 k-point  58 :       0.3636    0.0909    0.5000
  band No.  band energies     occupation 
      1      -3.0849      0.00000
      2       3.0161      0.00000
      3      -1.3176      0.00000
      4       1.1678      0.00000
      5      -1.3766      0.00000
      6       1.2947      0.00000
      7      -1.1595      0.00000
      8       1.0089      0.00000
      9      -0.6572      0.00000
     10       0.5505      0.00000
     11      -0.1575      0.00000
     12       0.1543      0.00000
     13      -0.5340      0.00000
     14       0.9882      0.00000
     15      -1.4149      0.00000
     16       2.0545      0.00000
     17      -1.0511      0.00000
     18       0.4691      0.00000
     19      -0.6802      0.00000
     20       0.4241      0.00000
     21      -1.6555      0.00000
     22       1.0886      0.00000
     23      -0.2068      0.00000
     24       2.1762      0.00000
     25      -1.6671      0.00000
     26       0.7826      0.00000
     27      -1.5966      0.00000
     28       0.0509      0.00000
     29      -0.9969      0.00000
     30       1.4448      0.00000
     31      -1.2689      0.00000
     32       1.8594      0.00000
     33      -1.3190      0.00000
     34       1.5407      0.00000
     35      -0.8123      0.00000
     36       1.6883      0.00000
     37      -0.9082      0.00000
     38      -0.4306      0.00000
     39      -1.1516      0.00000
     40       1.2600      0.00000

 k-point  59 :       0.4545    0.0909    0.5000
  band No.  band energies     occupation 
      1      -3.0893      0.00000
      2       3.0102      0.00000
      3      -1.4139      0.00000
      4       1.2241      0.00000
      5      -1.4685      0.00000
      6       1.2551      0.00000
      7      -1.2300      0.00000
      8       0.9168      0.00000
      9      -0.8836      0.00000
     10       0.8214      0.00000
     11      -0.0786      0.00000
     12       0.1437      0.00000
     13      -0.5768      0.00000
     14       1.2537      0.00000
     15      -1.4708      0.00000
     16       2.2875      0.00000
     17      -1.1034      0.00000
     18       0.4505      0.00000
     19      -0.1278      0.00000
     20      -0.2398      0.00000
     21      -1.7536      0.00000
     22       1.2221      0.00000
     23      -0.3855      0.00000
     24       2.2496      0.00000
     25      -1.8011      0.00000
     26       0.8730      0.00000
     27      -1.4780      0.00000
     28       0.0706      0.00000
     29      -0.5174      0.00000
     30       0.4677      0.00000
     31      -1.1507      0.00000
     32       2.3480      0.00000
     33      -0.3707      0.00000
     34       0.9514      0.00000
     35      -0.8893      0.00000
     36       1.4057      0.00000
     37      -1.7876      0.00000
     38      -0.3988      0.00000
     39      -1.3668      0.00000
     40      -0.2315      0.00000

 k-point  60 :       0.1818    0.1818    0.5000
  band No.  band energies     occupation 
      1      -3.0714      0.00000
      2       3.0346      0.00000
      3      -0.5683      0.00000
      4       0.4014      0.00000
      5      -0.1581      0.00000
      6       0.4324      0.00000
      7      -1.1136      0.00000
      8       1.1652      0.00000
      9      -0.5073      0.00000
     10       0.4130      0.00000
     11      -0.3216      0.00000
     12       0.2091      0.00000
     13      -0.2902      0.00000
     14       0.2099      0.00000
     15      -1.4050      0.00000
     16       1.8051      0.00000
     17      -1.1475      0.00000
     18       0.5681      0.00000
     19      -1.0281      0.00000
     20       0.9544      0.00000
     21      -1.0918      0.00000
     22       0.6663      0.00000
     23       0.2079      0.00000
     24       1.3812      0.00000
     25      -0.6872      0.00000
     26       0.4171      0.00000
     27      -1.7402      0.00000
     28      -0.0254      0.00000
     29      -1.5225      0.00000
     30       1.6084      0.00000
     31      -1.1086      0.00000
     32       1.5289      0.00000
     33      -0.6150      0.00000
     34       1.2812      0.00000
     35      -0.4635      0.00000
     36       1.6822      0.00000
     37      -1.1448      0.00000
     38       0.9896      0.00000
     39      -0.3406      0.00000
     40       0.1780      0.00000

 k-point  61 :       0.2727    0.1818    0.5000
  band No.  band energies     occupation 
      1      -3.0833      0.00000
      2       3.0183      0.00000
      3      -0.8341      0.00000
      4       0.5416      0.00000
      5      -1.0174      0.00000
      6       0.9811      0.00000
      7      -1.1643      0.00000
      8       1.2761      0.00000
      9      -0.5341      0.00000
     10       0.3154      0.00000
     11      -0.1491      0.00000
     12       0.1580      0.00000
     13      -0.4723      0.00000
     14       0.6819      0.00000
     15      -1.4755      0.00000
     16       2.3976      0.00000
     17      -1.1634      0.00000
     18       0.4693      0.00000
     19      -0.9072      0.00000
     20       0.7372      0.00000
     21      -1.5054      0.00000
     22       0.8156      0.00000
     23      -0.5536      0.00000
     24       1.5348      0.00000
     25      -0.2673      0.00000
     26       0.7862      0.00000
     27      -1.5198      0.00000
     28      -0.0868      0.00000
     29      -1.8348      0.00000
     30       1.9252      0.00000
     31      -1.6100      0.00000
     32       1.7691      0.00000
     33      -1.2193      0.00000
     34       1.7061      0.00000
     35       0.0195      0.00000
     36       1.0517      0.00000
     37      -0.6977      0.00000
     38       0.2653      0.00000
     39      -1.2161      0.00000
     40       1.0136      0.00000

 k-point  62 :       0.3636    0.1818    0.5000
  band No.  band energies     occupation 
      1      -3.0904      0.00000
      2       3.0087      0.00000
      3      -1.1978      0.00000
      4       0.7897      0.00000
      5      -1.4807      0.00000
      6       1.0512      0.00000
      7      -1.2995      0.00000
      8       1.4992      0.00000
      9      -0.7964      0.00000
     10       0.6330      0.00000
     11       0.1399      0.00000
     12      -0.0947      0.00000
     13      -0.3740      0.00000
     14       0.8740      0.00000
     15      -1.4174      0.00000
     16       2.5967      0.00000
     17      -1.1980      0.00000
     18       0.4687      0.00000
     19      -0.5594      0.00000
     20       0.2591      0.00000
     21      -1.8246      0.00000
     22       1.1613      0.00000
     23      -1.1671      0.00000
     24       1.8312      0.00000
     25      -0.1682      0.00000
     26       0.9843      0.00000
     27      -1.2556      0.00000
     28      -0.1166      0.00000
     29      -2.2949      0.00000
     30       2.1445      0.00000
     31      -1.4385      0.00000
     32       1.7260      0.00000
     33      -1.3476      0.00000
     34       1.8334      0.00000
     35      -0.6980      0.00000
     36       1.3083      0.00000
     37      -1.6045      0.00000
     38       0.4432      0.00000
     39      -0.6848      0.00000
     40      -0.1270      0.00000

 k-point  63 :       0.2727    0.2727    0.5000
  band No.  band energies     occupation 
      1      -3.0907      0.00000
      2       3.0082      0.00000
      3      -0.7010      0.00000
      4       0.1007      0.00000
      5      -1.4193      0.00000
      6       1.0585      0.00000
      7      -1.3355      0.00000
      8       1.7261      0.00000
      9      -0.7312      0.00000
     10       0.5224      0.00000
     11       0.1351      0.00000
     12      -0.1217      0.00000
     13      -0.3087      0.00000
     14       0.6099      0.00000
     15      -1.3962      0.00000
     16       2.8327      0.00000
     17      -1.2317      0.00000
     18       0.4812      0.00000
     19      -0.9281      0.00000
     20       0.7134      0.00000
     21      -1.2408      0.00000
     22       0.3319      0.00000
     23      -0.9793      0.00000
     24       1.4276      0.00000
     25       0.4003      0.00000
     26       0.8465      0.00000
     27      -0.9631      0.00000
     28       0.1123      0.00000
     29      -2.9034      0.00000
     30       2.0580      0.00000
     31      -1.6107      0.00000
     32       1.8339      0.00000
     33      -1.0876      0.00000
     34       1.5466      0.00000
     35      -0.8715      0.00000
     36       0.9748      0.00000
     37      -0.5960      0.00000
     38       0.7714      0.00000
     39      -1.3188      0.00000
     40       0.7093      0.00000

 k-point  64 :       0.3636    0.2727    0.5000
  band No.  band energies     occupation 
      1      -3.0934      0.00000
      2       3.0046      0.00000
      3      -1.0500      0.00000
      4       0.2825      0.00000
      5      -1.5907      0.00000
      6       1.1470      0.00000
      7      -1.4490      0.00000
      8       1.8684      0.00000
      9      -0.7413      0.00000
     10       0.6484      0.00000
     11       0.2576      0.00000
     12      -0.2978      0.00000
     13      -0.0734      0.00000
     14       0.3973      0.00000
     15      -1.3530      0.00000
     16       3.0148      0.00000
     17      -1.2408      0.00000
     18       0.4783      0.00000
     19      -0.4641      0.00000
     20       0.2758      0.00000
     21      -1.7025      0.00000
     22       0.7994      0.00000
     23      -2.0616      0.00000
     24       2.2644      0.00000
     25       0.5855      0.00000
     26       0.6964      0.00000
     27      -0.4756      0.00000
     28       0.3626      0.00000
     29      -3.4954      0.00000
     30       1.9510      0.00000
     31      -1.4627      0.00000
     32       1.8839      0.00000
     33      -0.8387      0.00000
     34       1.2093      0.00000
     35      -1.9242      0.00000
     36       1.5680      0.00000
     37      -0.9033      0.00000
     38       0.9085      0.00000
     39      -0.3250      0.00000
     40       0.2586      0.00000

 k-point  65 :      -0.4545   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0483      0.00000
      2      -0.0262      0.00000
      3       0.2270      0.00000
      4      -0.1926      0.00000
      5      -0.1634      0.00000
      6       0.1685      0.00000
      7      -1.0199      0.00000
      8       0.4535      0.00000
      9       0.0780      0.00000
     10       0.1549      0.00000
     11      -0.0782      0.00000
     12       0.0270      0.00000
     13      -0.5848      0.00000
     14       1.2003      0.00000
     15      -0.3991      0.00000
     16      -0.1865      0.00000
     17      -0.4179      0.00000
     18       0.8542      0.00000
     19      -0.2943      0.00000
     20       0.2201      0.00000
     21      -0.9850      0.00000
     22       0.3430      0.00000
     23       1.3678      0.00000
     24       1.2386      0.00000
     25      -1.9704      0.00000
     26      -0.7138      0.00000
     27       0.3812      0.00000
     28      -1.0074      0.00000
     29      -0.9809      0.00000
     30       1.5770      0.00000
     31       0.1517      0.00000
     32       0.6953      0.00000
     33       0.2779      0.00000
     34      -0.3715      0.00000
     35       0.6577      0.00000
     36      -0.6143      0.00000
     37      -0.0177      0.00000
     38      -0.8481      0.00000
     39       0.1427      0.00000
     40       2.0233      0.00000

 k-point  66 :      -0.3636   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0429      0.00000
      2      -0.0106      0.00000
      3       0.3531      0.00000
      4      -0.5159      0.00000
      5      -0.0469      0.00000
      6       0.1490      0.00000
      7       0.4721      0.00000
      8      -0.3415      0.00000
      9       0.4034      0.00000
     10       0.1945      0.00000
     11      -0.0899      0.00000
     12      -0.5706      0.00000
     13      -0.3632      0.00000
     14      -0.1560      0.00000
     15       0.3221      0.00000
     16      -0.2971      0.00000
     17      -0.2656      0.00000
     18       0.6865      0.00000
     19      -0.2573      0.00000
     20       0.2380      0.00000
     21      -0.5218      0.00000
     22       0.2972      0.00000
     23       0.9524      0.00000
     24       1.1426      0.00000
     25      -1.3523      0.00000
     26      -1.1220      0.00000
     27       0.2315      0.00000
     28      -1.0123      0.00000
     29       1.4129      0.00000
     30      -0.6788      0.00000
     31       0.1856      0.00000
     32       0.6366      0.00000
     33      -0.0157      0.00000
     34      -0.2113      0.00000
     35       0.7780      0.00000
     36      -0.7974      0.00000
     37      -0.3299      0.00000
     38      -0.3755      0.00000
     39       0.3200      0.00000
     40       0.6434      0.00000

 k-point  67 :      -0.2727   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0322      0.00000
      2       0.0139      0.00000
      3       0.3307      0.00000
      4      -0.5275      0.00000
      5       0.1366      0.00000
      6       0.2542      0.00000
      7       0.5383      0.00000
      8      -0.1120      0.00000
      9       0.1701      0.00000
     10       0.1332      0.00000
     11      -0.0491      0.00000
     12      -0.5656      0.00000
     13      -0.5062      0.00000
     14      -0.6311      0.00000
     15       0.5327      0.00000
     16      -0.4629      0.00000
     17      -0.0647      0.00000
     18       0.4178      0.00000
     19      -0.1589      0.00000
     20       0.1003      0.00000
     21       0.5608      0.00000
     22      -0.2463      0.00000
     23       0.5590      0.00000
     24       1.3113      0.00000
     25      -0.2498      0.00000
     26      -1.7178      0.00000
     27      -0.5667      0.00000
     28       1.1401      0.00000
     29      -0.4842      0.00000
     30      -0.5571      0.00000
     31       0.3177      0.00000
     32       0.4171      0.00000
     33      -1.0023      0.00000
     34       0.1423      0.00000
     35       0.9049      0.00000
     36      -0.2176      0.00000
     37      -0.1011      0.00000
     38       0.2394      0.00000
     39       0.3206      0.00000
     40       0.4448      0.00000

 k-point  68 :      -0.1818   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0198      0.00000
      2       0.0396      0.00000
      3       0.3049      0.00000
      4      -0.8350      0.00000
      5       0.3097      0.00000
      6       0.6561      0.00000
      7       0.6182      0.00000
      8      -0.3093      0.00000
      9       0.0260      0.00000
     10       0.0569      0.00000
     11      -0.0182      0.00000
     12      -0.2768      0.00000
     13      -0.5232      0.00000
     14      -0.7103      0.00000
     15       0.3202      0.00000
     16      -0.6307      0.00000
     17       0.0531      0.00000
     18       0.1360      0.00000
     19      -0.0923      0.00000
     20       0.2107      0.00000
     21       0.6398      0.00000
     22      -0.2438      0.00000
     23       0.5042      0.00000
     24       0.1693      0.00000
     25       1.3395      0.00000
     26      -1.2299      0.00000
     27      -1.3540      0.00000
     28       0.5649      0.00000
     29       0.0627      0.00000
     30      -0.1631      0.00000
     31       0.3953      0.00000
     32      -1.1673      0.00000
     33       0.3426      0.00000
     34      -0.3196      0.00000
     35       0.7173      0.00000
     36      -0.0314      0.00000
     37       0.9472      0.00000
     38       0.2153      0.00000
     39       0.5904      0.00000
     40      -0.4122      0.00000

 k-point  69 :      -0.0909   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0102      0.00000
      2       0.0589      0.00000
      3       0.2137      0.00000
      4       0.4081      0.00000
      5      -2.0729      0.00000
      6       1.4152      0.00000
      7       0.6914      0.00000
      8       0.0644      0.00000
      9      -0.0394      0.00000
     10       0.0014      0.00000
     11       0.0046      0.00000
     12      -0.0350      0.00000
     13      -0.4745      0.00000
     14      -0.7776      0.00000
     15       0.2345      0.00000
     16      -0.7548      0.00000
     17      -0.0008      0.00000
     18      -0.0787      0.00000
     19      -0.0460      0.00000
     20       0.3202      0.00000
     21       0.5646      0.00000
     22      -0.1329      0.00000
     23       0.2683      0.00000
     24       0.6970      0.00000
     25       0.7182      0.00000
     26      -0.3272      0.00000
     27      -1.0942      0.00000
     28      -0.2109      0.00000
     29      -0.1488      0.00000
     30       0.2366      0.00000
     31      -0.1463      0.00000
     32      -0.9753      0.00000
     33       0.6436      0.00000
     34       0.3331      0.00000
     35       0.0793      0.00000
     36       0.3550      0.00000
     37       0.9156      0.00000
     38       0.5142      0.00000
     39       0.6417      0.00000
     40      -0.9133      0.00000

 k-point  70 :      -0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0469      0.00000
      2      -0.0221      0.00000
      3       0.3095      0.00000
      4      -0.5127      0.00000
      5      -0.1779      0.00000
      6       0.2492      0.00000
      7      -0.5068      0.00000
      8       0.3902      0.00000
      9       0.2946      0.00000
     10      -0.0361      0.00000
     11      -0.0375      0.00000
     12      -0.1073      0.00000
     13      -0.4729      0.00000
     14       0.5111      0.00000
     15      -0.0875      0.00000
     16      -0.1821      0.00000
     17      -0.1250      0.00000
     18       0.6097      0.00000
     19      -0.3055      0.00000
     20       0.3516      0.00000
     21      -1.2906      0.00000
     22       0.5090      0.00000
     23       1.1051      0.00000
     24       0.3874      0.00000
     25      -0.2130      0.00000
     26      -0.6877      0.00000
     27      -0.4186      0.00000
     28      -0.3658      0.00000
     29      -0.1224      0.00000
     30       0.1338      0.00000
     31       0.2102      0.00000
     32       0.2883      0.00000
     33       0.1459      0.00000
     34       0.8196      0.00000
     35      -0.5657      0.00000
     36      -0.2351      0.00000
     37       0.3799      0.00000
     38      -0.5806      0.00000
     39       0.2532      0.00000
     40      -0.7781      0.00000

 k-point  71 :      -0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0392      0.00000
      2      -0.0018      0.00000
      3       0.3502      0.00000
      4      -0.5482      0.00000
      5      -0.0389      0.00000
      6       0.2859      0.00000
      7       0.4864      0.00000
      8      -0.1391      0.00000
      9       0.1618      0.00000
     10       0.1312      0.00000
     11      -0.0440      0.00000
     12      -0.5007      0.00000
     13      -0.4629      0.00000
     14      -0.4924      0.00000
     15       0.4344      0.00000
     16      -0.2091      0.00000
     17       0.1503      0.00000
     18       0.2873      0.00000
     19      -0.1984      0.00000
     20       0.0432      0.00000
     21       0.1735      0.00000
     22      -0.1608      0.00000
     23       0.6958      0.00000
     24       0.3927      0.00000
     25      -0.2619      0.00000
     26      -0.5529      0.00000
     27      -0.5492      0.00000
     28       0.1016      0.00000
     29      -0.1549      0.00000
     30      -0.0921      0.00000
     31      -0.0030      0.00000
     32      -0.0359      0.00000
     33      -0.0905      0.00000
     34       1.1158      0.00000
     35       0.0058      0.00000
     36      -0.0033      0.00000
     37       0.4490      0.00000
     38      -0.6401      0.00000
     39      -0.4258      0.00000
     40       0.2278      0.00000

 k-point  72 :      -0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0278      0.00000
      2       0.0232      0.00000
      3       0.3066      0.00000
      4      -0.3332      0.00000
      5      -0.0287      0.00000
      6       0.3637      0.00000
      7       0.5388      0.00000
      8      -0.1522      0.00000
      9       0.0249      0.00000
     10       0.0786      0.00000
     11      -0.0106      0.00000
     12      -0.3665      0.00000
     13      -0.5796      0.00000
     14      -0.6316      0.00000
     15       0.1966      0.00000
     16      -0.2749      0.00000
     17       0.0293      0.00000
     18       0.3075      0.00000
     19      -0.1162      0.00000
     20       0.1020      0.00000
     21       0.5751      0.00000
     22      -0.2238      0.00000
     23       0.4777      0.00000
     24       0.4425      0.00000
     25      -0.1359      0.00000
     26      -0.4472      0.00000
     27      -0.6556      0.00000
     28       0.0861      0.00000
     29      -0.1022      0.00000
     30      -0.0193      0.00000
     31       0.0635      0.00000
     32      -0.5619      0.00000
     33      -0.3508      0.00000
     34       1.2603      0.00000
     35       0.1261      0.00000
     36      -0.3233      0.00000
     37       0.3020      0.00000
     38       0.6888      0.00000
     39       0.2513      0.00000
     40      -0.5100      0.00000

 k-point  73 :      -0.5455    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0489      0.00000
      2      -0.0331      0.00000
      3      -0.0298      0.00000
      4      -0.2000      0.00000
      5      -0.5189      0.00000
      6       0.3138      0.00000
      7      -0.4910      0.00000
      8       0.3602      0.00000
      9       0.1054      0.00000
     10      -0.2536      0.00000
     11       0.0607      0.00000
     12       0.0417      0.00000
     13      -0.1903      0.00000
     14       0.7412      0.00000
     15       0.0271      0.00000
     16      -0.3101      0.00000
     17       0.6750      0.00000
     18       0.0045      0.00000
     19      -0.3163      0.00000
     20       0.3853      0.00000
     21      -1.7048      0.00000
     22       0.1145      0.00000
     23       0.9994      0.00000
     24       0.1638      0.00000
     25       0.5268      0.00000
     26      -0.1429      0.00000
     27      -0.4681      0.00000
     28      -0.4428      0.00000
     29      -0.1992      0.00000
     30       0.2061      0.00000
     31      -0.4391      0.00000
     32       0.3558      0.00000
     33       0.0060      0.00000
     34       0.2922      0.00000
     35       0.4881      0.00000
     36       0.1988      0.00000
     37      -0.1108      0.00000
     38       0.1232      0.00000
     39      -0.8332      0.00000
     40      -0.1273      0.00000

 k-point  74 :      -0.4545    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0457      0.00000
      2      -0.0194      0.00000
      3       0.3285      0.00000
      4      -0.5236      0.00000
      5      -0.5360      0.00000
      6       0.4105      0.00000
      7       0.1831      0.00000
      8       0.2141      0.00000
      9      -0.0243      0.00000
     10      -0.0699      0.00000
     11       0.0100      0.00000
     12      -0.0991      0.00000
     13      -0.4056      0.00000
     14      -0.0208      0.00000
     15       0.2623      0.00000
     16      -0.1900      0.00000
     17       0.7552      0.00000
     18      -0.1373      0.00000
     19      -0.2150      0.00000
     20      -0.1720      0.00000
     21      -0.5080      0.00000
     22      -0.0427      0.00000
     23       0.4715      0.00000
     24       0.4985      0.00000
     25       0.1605      0.00000
     26      -0.0523      0.00000
     27      -0.2449      0.00000
     28      -0.6006      0.00000
     29      -0.3842      0.00000
     30       0.1905      0.00000
     31      -0.4681      0.00000
     32       0.3936      0.00000
     33       0.4019      0.00000
     34      -0.2687      0.00000
     35       0.9799      0.00000
     36       0.6039      0.00000
     37      -0.3779      0.00000
     38      -0.3352      0.00000
     39      -0.1181      0.00000
     40      -0.7645      0.00000

 k-point  75 :      -0.4545   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0437      0.00000
      2      -0.0307      0.00000
      3       0.3007      0.00000
      4      -0.4297      0.00000
      5      -0.0513      0.00000
      6       0.0803      0.00000
      7      -0.7367      0.00000
      8       0.2652      0.00000
      9       0.1923      0.00000
     10       0.1467      0.00000
     11      -0.1303      0.00000
     12      -0.0456      0.00000
     13      -0.5430      0.00000
     14       1.0689      0.00000
     15      -0.4058      0.00000
     16       0.0729      0.00000
     17       0.6590      0.00000
     18      -0.3629      0.00000
     19      -0.3963      0.00000
     20       0.1929      0.00000
     21      -1.0773      0.00000
     22       0.5253      0.00000
     23       1.3813      0.00000
     24       1.7390      0.00000
     25      -1.5190      0.00000
     26      -1.0526      0.00000
     27      -0.5611      0.00000
     28      -0.8110      0.00000
     29       0.1740      0.00000
     30       1.3306      0.00000
     31      -0.4007      0.00000
     32       0.6038      0.00000
     33       0.2948      0.00000
     34      -0.0960      0.00000
     35       0.6286      0.00000
     36      -0.4569      0.00000
     37      -0.6613      0.00000
     38      -0.9625      0.00000
     39       0.0323      0.00000
     40       0.0695      0.00000

 k-point  76 :      -0.3636   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0363      0.00000
      2      -0.0174      0.00000
      3       0.3903      0.00000
      4      -0.5971      0.00000
      5       0.0821      0.00000
      6       0.2690      0.00000
      7      -0.4562      0.00000
      8       0.2895      0.00000
      9       0.2299      0.00000
     10       0.2449      0.00000
     11      -0.1606      0.00000
     12      -0.4382      0.00000
     13      -0.1986      0.00000
     14       0.3122      0.00000
     15      -0.2379      0.00000
     16      -0.0625      0.00000
     17       0.5018      0.00000
     18      -0.2940      0.00000
     19      -0.3456      0.00000
     20       0.2838      0.00000
     21      -0.9133      0.00000
     22       0.5708      0.00000
     23       1.1331      0.00000
     24       1.7249      0.00000
     25      -0.7228      0.00000
     26      -1.5692      0.00000
     27      -0.7861      0.00000
     28      -0.7324      0.00000
     29       1.1607      0.00000
     30       0.1720      0.00000
     31      -0.3593      0.00000
     32       0.1032      0.00000
     33       0.4576      0.00000
     34       0.0244      0.00000
     35       1.3800      0.00000
     36      -1.1444      0.00000
     37      -0.4518      0.00000
     38       0.4965      0.00000
     39      -0.3913      0.00000
     40       0.3104      0.00000

 k-point  77 :      -0.2727   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0229      0.00000
      2       0.0039      0.00000
      3       0.2645      0.00000
      4      -0.4734      0.00000
      5       0.2653      0.00000
      6       0.3452      0.00000
      7      -0.3975      0.00000
      8       0.3764      0.00000
      9       0.0734      0.00000
     10       0.1691      0.00000
     11      -0.1035      0.00000
     12      -0.3267      0.00000
     13      -0.2006      0.00000
     14      -0.3399      0.00000
     15       0.0936      0.00000
     16      -0.2639      0.00000
     17      -0.2189      0.00000
     18       0.2507      0.00000
     19      -0.1690      0.00000
     20       0.1293      0.00000
     21       0.4647      0.00000
     22      -0.4335      0.00000
     23       0.8726      0.00000
     24       1.6753      0.00000
     25       0.2832      0.00000
     26      -1.9653      0.00000
     27      -1.2598      0.00000
     28      -0.4463      0.00000
     29       0.8743      0.00000
     30      -0.3755      0.00000
     31       0.3034      0.00000
     32      -0.6038      0.00000
     33       1.3828      0.00000
     34      -0.6779      0.00000
     35       0.9721      0.00000
     36      -0.4218      0.00000
     37       0.0648      0.00000
     38       0.5674      0.00000
     39      -0.1398      0.00000
     40      -0.1855      0.00000

 k-point  78 :      -0.1818   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0080      0.00000
      2       0.0264      0.00000
      3       0.1139      0.00000
      4      -0.5370      0.00000
      5       0.4161      0.00000
      6       0.3173      0.00000
      7      -0.2578      0.00000
      8       0.4848      0.00000
      9      -0.0129      0.00000
     10       0.0884      0.00000
     11      -0.0560      0.00000
     12      -0.1266      0.00000
     13      -0.3053      0.00000
     14      -0.2301      0.00000
     15      -0.0986      0.00000
     16      -0.4648      0.00000
     17      -0.2237      0.00000
     18      -0.0117      0.00000
     19      -0.0711      0.00000
     20       0.0899      0.00000
     21       0.7548      0.00000
     22      -0.4657      0.00000
     23       0.8416      0.00000
     24       1.2863      0.00000
     25       0.5187      0.00000
     26      -1.3313      0.00000
     27      -1.7125      0.00000
     28      -0.1550      0.00000
     29       0.4169      0.00000
     30       0.8018      0.00000
     31      -1.2706      0.00000
     32      -0.4947      0.00000
     33       0.7640      0.00000
     34      -0.2174      0.00000
     35       0.9584      0.00000
     36       1.0046      0.00000
     37       0.0150      0.00000
     38       0.0252      0.00000
     39       0.4711      0.00000
     40      -0.5264      0.00000

 k-point  79 :      -0.0909   -0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0034      0.00000
      2       0.0432      0.00000
      3      -0.0004      0.00000
      4      -1.0352      0.00000
      5       0.4860      0.00000
      6       0.2124      0.00000
      7       0.3204      0.00000
      8       0.5855      0.00000
      9      -0.0457      0.00000
     10       0.0293      0.00000
     11      -0.0175      0.00000
     12       0.0091      0.00000
     13      -0.2644      0.00000
     14       0.0950      0.00000
     15      -0.5307      0.00000
     16      -0.6109      0.00000
     17      -0.2715      0.00000
     18      -0.2125      0.00000
     19      -0.0341      0.00000
     20       0.1043      0.00000
     21       0.7671      0.00000
     22       0.4270      0.00000
     23       0.2389      0.00000
     24       0.7228      0.00000
     25       0.4774      0.00000
     26      -0.4730      0.00000
     27      -1.3917      0.00000
     28      -0.7012      0.00000
     29      -0.1515      0.00000
     30       0.8503      0.00000
     31      -0.2426      0.00000
     32      -1.4748      0.00000
     33       0.5747      0.00000
     34       0.2908      0.00000
     35       0.8132      0.00000
     36       0.6349      0.00000
     37       0.8218      0.00000
     38       0.3605      0.00000
     39       0.5341      0.00000
     40      -0.9878      0.00000

 k-point  80 :      -0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0417      0.00000
      2      -0.0271      0.00000
      3       0.3981      0.00000
      4      -0.6749      0.00000
      5      -0.0315      0.00000
      6       0.0817      0.00000
      7      -0.2359      0.00000
      8       0.1514      0.00000
      9       0.2369      0.00000
     10      -0.1021      0.00000
     11       0.0047      0.00000
     12      -0.1588      0.00000
     13      -0.3254      0.00000
     14       0.6551      0.00000
     15      -0.1576      0.00000
     16       0.0153      0.00000
     17       0.3401      0.00000
     18      -0.1425      0.00000
     19      -0.4241      0.00000
     20       0.3529      0.00000
     21      -1.6157      0.00000
     22       0.9624      0.00000
     23       0.9819      0.00000
     24       0.6618      0.00000
     25       0.5303      0.00000
     26      -1.4499      0.00000
     27      -0.7187      0.00000
     28      -0.5707      0.00000
     29       0.4765      0.00000
     30       0.2079      0.00000
     31      -0.2706      0.00000
     32       0.6327      0.00000
     33      -0.0134      0.00000
     34       1.1800      0.00000
     35      -0.7806      0.00000
     36       0.3902      0.00000
     37      -0.6997      0.00000
     38      -0.2038      0.00000
     39       0.1120      0.00000
     40      -0.4408      0.00000

 k-point  81 :      -0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0315      0.00000
      2      -0.0098      0.00000
      3       0.3337      0.00000
      4      -0.5732      0.00000
      5       0.2263      0.00000
      6       0.1608      0.00000
      7      -0.1015      0.00000
      8       0.1384      0.00000
      9       0.0458      0.00000
     10       0.1734      0.00000
     11      -0.0802      0.00000
     12      -0.3368      0.00000
     13      -0.1713      0.00000
     14      -0.0346      0.00000
     15      -0.1243      0.00000
     16       0.0151      0.00000
     17       0.1066      0.00000
     18      -0.0070      0.00000
     19      -0.2281      0.00000
     20       0.1522      0.00000
     21      -0.0144      0.00000
     22      -0.2385      0.00000
     23       0.8674      0.00000
     24       0.8604      0.00000
     25       0.1993      0.00000
     26      -1.2309      0.00000
     27      -0.8599      0.00000
     28      -0.3481      0.00000
     29       0.3085      0.00000
     30      -0.0372      0.00000
     31      -0.4687      0.00000
     32       0.6325      0.00000
     33       0.3314      0.00000
     34       1.1222      0.00000
     35      -0.1227      0.00000
     36      -0.2845      0.00000
     37       0.3625      0.00000
     38      -0.1040      0.00000
     39      -0.3729      0.00000
     40      -0.0190      0.00000

 k-point  82 :      -0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0175      0.00000
      2       0.0120      0.00000
      3       0.1582      0.00000
      4      -0.3504      0.00000
      5       0.3633      0.00000
      6       0.0570      0.00000
      7       0.0159      0.00000
      8       0.2112      0.00000
      9      -0.0290      0.00000
     10       0.0976      0.00000
     11      -0.0358      0.00000
     12      -0.1950      0.00000
     13      -0.3148      0.00000
     14      -0.2242      0.00000
     15      -0.0959      0.00000
     16      -0.2248      0.00000
     17      -0.3490      0.00000
     18       0.2943      0.00000
     19      -0.0913      0.00000
     20       0.0651      0.00000
     21       0.5406      0.00000
     22      -0.4277      0.00000
     23       0.8783      0.00000
     24       0.9856      0.00000
     25      -0.0641      0.00000
     26      -0.8605      0.00000
     27      -1.0931      0.00000
     28      -0.1409      0.00000
     29      -0.0550      0.00000
     30      -0.6635      0.00000
     31       0.5740      0.00000
     32       0.2995      0.00000
     33       0.1849      0.00000
     34       0.3014      0.00000
     35       0.1967      0.00000
     36       0.0444      0.00000
     37       1.3349      0.00000
     38      -0.2842      0.00000
     39      -0.2311      0.00000
     40      -0.2952      0.00000

 k-point  83 :      -0.5455    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0456      0.00000
      2      -0.0363      0.00000
      3       0.1012      0.00000
      4      -0.5761      0.00000
      5      -0.2483      0.00000
      6      -0.0165      0.00000
      7      -0.5913      0.00000
      8       0.7356      0.00000
      9       0.1658      0.00000
     10      -0.3233      0.00000
     11       0.0283      0.00000
     12       0.1095      0.00000
     13      -0.2382      0.00000
     14       0.6652      0.00000
     15       0.2420      0.00000
     16       0.8786      0.00000
     17      -0.4132      0.00000
     18      -0.2766      0.00000
     19      -0.4398      0.00000
     20       0.4079      0.00000
     21      -1.4433      0.00000
     22       0.2638      0.00000
     23       0.6620      0.00000
     24       0.1877      0.00000
     25       0.7548      0.00000
     26      -0.2440      0.00000
     27      -0.5524      0.00000
     28      -0.4949      0.00000
     29       0.0611      0.00000
     30      -0.3455      0.00000
     31      -0.1372      0.00000
     32       0.5666      0.00000
     33       0.1797      0.00000
     34       0.1853      0.00000
     35       0.4787      0.00000
     36       0.4178      0.00000
     37      -1.1463      0.00000
     38      -0.3971      0.00000
     39       0.1186      0.00000
     40       0.0160      0.00000

 k-point  84 :      -0.4545    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0402      0.00000
      2      -0.0249      0.00000
      3       0.3489      0.00000
      4      -0.7356      0.00000
      5      -0.0258      0.00000
      6       0.0463      0.00000
      7       0.1318      0.00000
      8       0.1058      0.00000
      9      -0.0780      0.00000
     10      -0.0474      0.00000
     11       0.0354      0.00000
     12      -0.1021      0.00000
     13      -0.1749      0.00000
     14       0.2520      0.00000
     15       0.1470      0.00000
     16       0.0497      0.00000
     17       0.3257      0.00000
     18      -0.2174      0.00000
     19      -0.2432      0.00000
     20       0.0937      0.00000
     21      -0.6378      0.00000
     22      -0.0546      0.00000
     23       0.4030      0.00000
     24       0.4556      0.00000
     25       0.4644      0.00000
     26      -0.1716      0.00000
     27      -0.4496      0.00000
     28      -0.6967      0.00000
     29      -0.0379      0.00000
     30      -0.1252      0.00000
     31      -0.0817      0.00000
     32       0.4120      0.00000
     33       0.5381      0.00000
     34      -0.2811      0.00000
     35       0.6332      0.00000
     36       0.6980      0.00000
     37      -0.4368      0.00000
     38      -0.3589      0.00000
     39      -0.5759      0.00000
     40      -0.1824      0.00000


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


 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    1.30: real time    1.30
    STRESS:  cpu time    2.65: real time    2.66
    FORCOR:  cpu time    0.06: real time    0.06
 FEWALD executed in parallel
    FORLOC:  cpu time    0.01: real time    0.01
    FORNL :  cpu time    1.29: real time    1.30
    STRESS:  cpu time    2.65: real time    2.67
    FORCOR:  cpu time    0.06: real time    0.07
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    1.29: real time    1.30
    STRESS:  cpu time    2.65: real time    2.67
    FORCOR:  cpu time    0.06: real time    0.06
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    1.29: real time    1.30
    STRESS:  cpu time    2.64: real time    2.66
    FORCOR:  cpu time    0.06: real time    0.06

 INTERNAL STRAIN TENSOR  FOR ION    1  DIRECTION 3   (eV/Angst):
 -----------------------------------------------------------------------------
    -3.74159  0.00000  0.00000
    -0.00000 -3.74159 -0.00000
    -0.00000  0.00000  7.78924


 POSITION                   FORCE-CONSTANT FOR ION    1 DIRECTION 3 (eV/Angst/Angst)
 -----------------------------------------------------------------------------------
      0.95120      1.64753      0.00476         0.000000      0.000000    -10.532588
      1.90240      0.00000      2.64717        -0.000000      0.000000      4.681018
      0.95120      1.64753      2.01669        -0.000000     -0.000000      4.294309
      1.90240      0.00000      4.65910        -0.000000     -0.000000      1.557262
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.000000


 BORN EFFECTIVE CHARGE FOR ION    1 DIRECTION 3 :   0.000   0.000   2.179
                   rigid augmentation           :   0.000   0.000  -8.115
                   ionic contribution           :   0.000   0.000  12.000
                   Berry contribution           :   0.000   0.000  -1.706


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


 Linear response progress:
  Degree of freedom:   3/  4
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  2 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_1h.


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


   POT+DIJ:  cpu time    0.30: real time    0.31
    HAMIL1:  cpu time    5.17: real time    5.20
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   22.23: real time   22.33
    LRDIAG:  cpu time    0.42: real time    0.42
    --------------------------------------------
      LOOP:  cpu time   28.54: real time   28.68

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.10555881
  -V(xc)+E(xc)   XCENC  =         0.00043774
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.26097460
  ---------------------------------------------------
  free energy    TOTEN  =        -0.36609567 eV

  energy without entropy =       -0.36609567


----------------------------------------- Iteration   10(   2)  ---------------------------------------


   POT+DIJ:  cpu time    0.31: real time    0.31
    HAMIL1:  cpu time    5.19: real time    5.21
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   17.91: real time   18.01
    LRDIAG:  cpu time    0.42: real time    0.42
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   26.17: real time   26.31

 Broyden mixing:
  rms(total) = 0.96305E+00    rms(broyden)= 0.96277E+00
  rms(prec ) = 0.13339E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.10555881
  -V(xc)+E(xc)   XCENC  =         0.00043774
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.25376060
  ---------------------------------------------------
  free energy    TOTEN  =        -0.35888167 eV

  energy without entropy =       -0.35888167


----------------------------------------- Iteration   10(   3)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.31
    HAMIL1:  cpu time    5.18: real time    5.22
    LRDIAG:  cpu time    0.42: real time    0.43
    LRDIIS:  cpu time   19.01: real time   19.12
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.25: real time   27.42

 Broyden mixing:
  rms(total) = 0.55498E+00    rms(broyden)= 0.55496E+00
  rms(prec ) = 0.74224E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2989
  2.2989

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11180515
  -V(xc)+E(xc)   XCENC  =         0.00046267
  PAW double counting   =         0.00022923       -0.00023444
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.24869867
  ---------------------------------------------------
  free energy    TOTEN  =        -0.36004637 eV

  energy without entropy =       -0.36004637


----------------------------------------- Iteration   10(   4)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.19: real time    5.22
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   18.45: real time   18.56
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   26.70: real time   26.86

 Broyden mixing:
  rms(total) = 0.80916E-01    rms(broyden)= 0.80904E-01
  rms(prec ) = 0.10746E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1135
  2.4263  1.8007

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11874194
  -V(xc)+E(xc)   XCENC  =         0.00049156
  PAW double counting   =         0.00104475       -0.00106816
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24333871
  ---------------------------------------------------
  free energy    TOTEN  =        -0.36161249 eV

  energy without entropy =       -0.36161249


----------------------------------------- Iteration   10(   5)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.19: real time    5.22
    LRDIAG:  cpu time    0.42: real time    0.43
    LRDIIS:  cpu time   19.62: real time   19.98
    LRDIAG:  cpu time    0.43: real time    0.43
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   27.89: real time   28.29

 Broyden mixing:
  rms(total) = 0.97719E-02    rms(broyden)= 0.97657E-02
  rms(prec ) = 0.13007E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7739
  2.4483  0.9589  1.9144

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11820966
  -V(xc)+E(xc)   XCENC  =         0.00048978
  PAW double counting   =         0.00113648       -0.00116352
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.24377193
  ---------------------------------------------------
  free energy    TOTEN  =        -0.36151885 eV

  energy without entropy =       -0.36151885


----------------------------------------- Iteration   10(   6)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.53: real time    5.78
    LRDIAG:  cpu time    1.38: real time    1.73
    LRDIIS:  cpu time   19.48: real time   19.72
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   29.04: real time   29.88

 Broyden mixing:
  rms(total) = 0.53313E-02    rms(broyden)= 0.53310E-02
  rms(prec ) = 0.71124E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9317
  0.9866  2.5331  2.4009  1.8060

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11814669
  -V(xc)+E(xc)   XCENC  =         0.00048947
  PAW double counting   =         0.00113078       -0.00115768
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24381551
  ---------------------------------------------------
  free energy    TOTEN  =        -0.36149962 eV

  energy without entropy =       -0.36149962


----------------------------------------- Iteration   10(   7)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    5.22: real time    5.22
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   20.13: real time   20.16
    LRDIAG:  cpu time    0.41: real time    0.41
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   28.40: real time   28.44

 Broyden mixing:
  rms(total) = 0.52393E-03    rms(broyden)= 0.52384E-03
  rms(prec ) = 0.92428E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7612
  2.6928  2.3643  1.8331  0.9872  0.9283

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11814932
  -V(xc)+E(xc)   XCENC  =         0.00048941
  PAW double counting   =         0.00112811       -0.00115486
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24380686
  ---------------------------------------------------
  free energy    TOTEN  =        -0.36149352 eV

  energy without entropy =       -0.36149352


----------------------------------------- Iteration   10(   8)  ---------------------------------------


   POT+DIJ:  cpu time    0.31: real time    0.31
    HAMIL1:  cpu time    5.20: real time    5.21
    LRDIAG:  cpu time    0.42: real time    0.42
    LRDIIS:  cpu time   19.95: real time   19.99
    LRDIAG:  cpu time    0.41: real time    0.42
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   28.22: real time   28.27

 Broyden mixing:
  rms(total) = 0.29641E-03    rms(broyden)= 0.29639E-03
  rms(prec ) = 0.45365E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7233
  2.7833  2.3632  1.8535  1.5446  0.9900  0.8052

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11815139
  -V(xc)+E(xc)   XCENC  =         0.00048941
  PAW double counting   =         0.00112830       -0.00115503
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24380488
  ---------------------------------------------------
  free energy    TOTEN  =        -0.36149360 eV

  energy without entropy =       -0.36149360

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0001      0.00000
      2       0.0001      0.00000
      3      -0.4042      0.00000
      4       0.4043      0.00000
      5       0.0000      0.00000
      6      -0.4020      0.00000
      7       0.4020      0.00000
      8       0.0000      0.00000
      9       0.0186      0.00000
     10      -0.0185      0.00000
     11       0.0326      0.00000
     12      -0.0325      0.00000
     13       0.0000      0.00000
     14      -0.5846      0.00000
     15       0.5847      0.00000
     16       0.0000      0.00000
     17      -0.0770      0.00000
     18       0.0771      0.00000
     19       0.0000      0.00000
     20       0.0000      0.00000
     21       0.0000      0.00000
     22      -0.2485      0.00000
     23       0.2485      0.00000
     24       0.0000      0.00000
     25      -3.4266      0.00000
     26       3.4266      0.00000
     27       0.0000      0.00000
     28      -0.8568      0.00000
     29       0.8568      0.00000
     30       0.0000      0.00000
     31      -0.8587      0.00000
     32       0.8587      0.00000
     33       0.0000      0.00000
     34       0.0000      0.00000
     35      -4.2492      0.00000
     36       4.2493      0.00000
     37       0.0000      0.00000
     38      -3.4864      0.00000
     39       3.4864      0.00000
     40      -0.0013      0.00000

 k-point   2 :       0.0909    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0086      0.00000
      2       0.0026      0.00000
      3       0.3408      0.00000
      4      -0.4404      0.00000
      5      -0.1458      0.00000
      6       0.5094      0.00000
      7      -0.4279      0.00000
      8       0.0730      0.00000
      9      -0.0361      0.00000
     10       0.0312      0.00000
     11       0.0321      0.00000
     12      -0.0201      0.00000
     13       0.0175      0.00000
     14       0.5145      0.00000
     15      -0.4977      0.00000
     16      -0.0178      0.00000
     17       0.0738      0.00000
     18       0.0938      0.00000
     19       0.0587      0.00000
     20      -0.0538      0.00000
     21      -0.1454      0.00000
     22       0.1140      0.00000
     23      -0.1351      0.00000
     24      -2.3953      0.00000
     25      -0.5469      0.00000
     26       3.1092      0.00000
     27       0.5353      0.00000
     28      -0.3167      0.00000
     29       0.1223      0.00000
     30      -0.4183      0.00000
     31      -0.5072      0.00000
     32       0.4601      0.00000
     33      -0.2089      0.00000
     34       2.2781      0.00000
     35       1.6012      0.00000
     36      -4.1939      0.00000
     37      -3.1940      0.00000
     38       0.8277      0.00000
     39       3.3566      0.00000
     40      -2.3139      0.00000

 k-point   3 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0355      0.00000
      2       0.0128      0.00000
      3       0.2836      0.00000
      4      -0.5353      0.00000
      5      -0.4496      0.00000
      6       0.7167      0.00000
      7      -0.5101      0.00000
      8       0.1262      0.00000
      9      -0.0466      0.00000
     10       0.0571      0.00000
     11       0.0346      0.00000
     12      -0.0033      0.00000
     13       0.0639      0.00000
     14       0.2722      0.00000
     15       0.3025      0.00000
     16      -0.2809      0.00000
     17       0.2550      0.00000
     18       0.1627      0.00000
     19       0.0836      0.00000
     20      -0.1795      0.00000
     21      -0.6371      0.00000
     22      -0.0147      0.00000
     23      -1.3490      0.00000
     24       0.0300      0.00000
     25      -0.6273      0.00000
     26       2.2252      0.00000
     27       0.7114      0.00000
     28       0.3820      0.00000
     29      -0.2158      0.00000
     30      -0.7813      0.00000
     31       0.7759      0.00000
     32       0.0881      0.00000
     33       0.3236      0.00000
     34       1.4255      0.00000
     35      -4.0504      0.00000
     36       0.0742      0.00000
     37      -2.1094      0.00000
     38      -4.0798      0.00000
     39       2.9720      0.00000
     40       0.9439      0.00000

 k-point   4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.0844      0.00000
      2       0.0391      0.00000
      3       0.2335      0.00000
      4      -0.3690      0.00000
      5      -0.6436      0.00000
      6       0.5290      0.00000
      7      -0.6577      0.00000
      8      -0.0025      0.00000
      9       0.0489      0.00000
     10       0.0645      0.00000
     11       0.0437      0.00000
     12       0.1978      0.00000
     13       0.0239      0.00000
     14       0.1429      0.00000
     15       0.4786      0.00000
     16       0.0001      0.00000
     17       0.5303      0.00000
     18       0.2870      0.00000
     19       0.0331      0.00000
     20      -0.4123      0.00000
     21      -1.4103      0.00000
     22      -0.3322      0.00000
     23       0.4219      0.00000
     24      -0.4118      0.00000
     25       0.0664      0.00000
     26       1.4063      0.00000
     27      -0.0207      0.00000
     28       0.9647      0.00000
     29       0.1896      0.00000
     30       0.5831      0.00000
     31      -0.7468      0.00000
     32       0.4699      0.00000
     33      -1.1426      0.00000
     34       0.3761      0.00000
     35      -3.7971      0.00000
     36      -2.7646      0.00000
     37      -2.5137      0.00000
     38       2.2129      0.00000
     39      -0.5156      0.00000
     40       3.9086      0.00000

 k-point   5 :       0.3636    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.1650      0.00000
      2       0.0982      0.00000
      3       0.1889      0.00000
      4      -0.4611      0.00000
      5      -0.7123      0.00000
      6       0.4901      0.00000
      7      -0.8521      0.00000
      8      -0.1994      0.00000
      9       0.1079      0.00000
     10       0.0238      0.00000
     11       0.0543      0.00000
     12       0.2186      0.00000
     13       0.6432      0.00000
     14      -0.1414      0.00000
     15       0.3286      0.00000
     16       0.2917      0.00000
     17       0.9059      0.00000
     18       0.4293      0.00000
     19      -0.1037      0.00000
     20      -0.8895      0.00000
     21      -1.2025      0.00000
     22      -1.5190      0.00000
     23       2.5089      0.00000
     24      -0.6771      0.00000
     25       0.1378      0.00000
     26       0.9422      0.00000
     27      -0.4529      0.00000
     28       1.0212      0.00000
     29       1.1165      0.00000
     30       0.1353      0.00000
     31      -2.0944      0.00000
     32      -0.4712      0.00000
     33      -1.8988      0.00000
     34      -2.3154      0.00000
     35      -0.0548      0.00000
     36       0.5696      0.00000
     37      -0.7867      0.00000
     38      -0.4462      0.00000
     39      -0.0697      0.00000
     40       1.0130      0.00000

 k-point   6 :       0.4545    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.2824      0.00000
      2       0.2024      0.00000
      3       0.2104      0.00000
      4      -0.6859      0.00000
      5      -0.7358      0.00000
      6       0.4971      0.00000
      7      -0.0015      0.00000
      8      -0.9996      0.00000
      9      -0.0455      0.00000
     10      -0.0436      0.00000
     11       0.0590      0.00000
     12       0.0836      0.00000
     13       0.7774      0.00000
     14       0.7718      0.00000
     15      -0.6899      0.00000
     16       0.5060      0.00000
     17       1.3213      0.00000
     18       0.5276      0.00000
     19      -0.3825      0.00000
     20       0.2350      0.00000
     21      -2.9828      0.00000
     22      -1.3211      0.00000
     23       3.2703      0.00000
     24      -0.5834      0.00000
     25       0.1923      0.00000
     26       0.7335      0.00000
     27      -0.5775      0.00000
     28       2.2410      0.00000
     29      -1.2119      0.00000
     30       1.0707      0.00000
     31      -2.8763      0.00000
     32      -0.1198      0.00000
     33      -1.0557      0.00000
     34       0.8328      0.00000
     35      -0.4603      0.00000
     36      -3.1997      0.00000
     37      -1.4028      0.00000
     38       1.9683      0.00000
     39      -0.2351      0.00000
     40      -0.6576      0.00000

 k-point   7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0123      0.00000
      2       0.0042      0.00000
      3       0.1752      0.00000
      4      -0.2155      0.00000
      5      -0.1252      0.00000
      6       0.0888      0.00000
      7      -0.0809      0.00000
      8       0.0136      0.00000
      9       0.0020      0.00000
     10      -0.0046      0.00000
     11       0.0130      0.00000
     12       0.0075      0.00000
     13       0.0295      0.00000
     14       0.3821      0.00000
     15      -0.2395      0.00000
     16      -0.0285      0.00000
     17       0.0939      0.00000
     18       0.0267      0.00000
     19       0.0635      0.00000
     20      -0.0712      0.00000
     21      -0.1835      0.00000
     22       0.2467      0.00000
     23      -1.9114      0.00000
     24       0.7407      0.00000
     25       0.7397      0.00000
     26      -0.0811      0.00000
     27       0.6810      0.00000
     28       0.4463      0.00000
     29      -0.1515      0.00000
     30      -1.0880      0.00000
     31      -0.0879      0.00000
     32       0.2506      0.00000
     33       0.4957      0.00000
     34       0.8824      0.00000
     35      -1.3821      0.00000
     36       0.1941      0.00000
     37      -1.4206      0.00000
     38      -1.8843      0.00000
     39       0.8138      0.00000
     40       0.8631      0.00000

 k-point   8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.0478      0.00000
      2       0.0202      0.00000
      3       0.2509      0.00000
      4      -0.2720      0.00000
      5      -0.5334      0.00000
      6       0.3076      0.00000
      7      -0.2838      0.00000
      8      -0.0045      0.00000
      9      -0.0087      0.00000
     10       0.0359      0.00000
     11       0.0270      0.00000
     12       0.1385      0.00000
     13       0.0025      0.00000
     14       0.2616      0.00000
     15       0.1340      0.00000
     16       0.0647      0.00000
     17       0.3118      0.00000
     18       0.0977      0.00000
     19       0.0733      0.00000
     20      -0.2501      0.00000
     21      -0.7841      0.00000
     22       0.1056      0.00000
     23      -1.2874      0.00000
     24       0.9150      0.00000
     25       0.1198      0.00000
     26       0.2354      0.00000
     27       0.4087      0.00000
     28       1.1700      0.00000
     29      -0.4102      0.00000
     30       0.5955      0.00000
     31      -0.2436      0.00000
     32      -1.1039      0.00000
     33       0.8699      0.00000
     34      -0.2999      0.00000
     35      -1.7231      0.00000
     36      -2.4497      0.00000
     37       0.3655      0.00000
     38       0.1178      0.00000
     39       0.7392      0.00000
     40      -1.1459      0.00000

 k-point   9 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.1083      0.00000
      2       0.0586      0.00000
      3       0.2390      0.00000
      4      -0.3072      0.00000
      5      -0.6566      0.00000
      6       0.2282      0.00000
      7      -0.4841      0.00000
      8      -0.2065      0.00000
      9       0.1218      0.00000
     10       0.0178      0.00000
     11       0.0404      0.00000
     12       0.2391      0.00000
     13       0.2492      0.00000
     14       0.0219      0.00000
     15       0.4144      0.00000
     16       0.2072      0.00000
     17       0.6043      0.00000
     18       0.2250      0.00000
     19       0.0045      0.00000
     20      -0.8006      0.00000
     21      -1.1169      0.00000
     22      -0.5451      0.00000
     23       0.9309      0.00000
     24       0.1781      0.00000
     25      -0.0423      0.00000
     26       0.4861      0.00000
     27      -0.1258      0.00000
     28       1.6403      0.00000
     29      -0.3023      0.00000
     30       0.8356      0.00000
     31      -0.9038      0.00000
     32      -2.7451      0.00000
     33      -0.0606      0.00000
     34      -1.4718      0.00000
     35      -1.9263      0.00000
     36       0.6367      0.00000
     37       0.5601      0.00000
     38       1.3847      0.00000
     39       1.1861      0.00000
     40      -0.7733      0.00000

 k-point  10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.2080      0.00000
      2       0.1410      0.00000
      3       0.2359      0.00000
      4      -0.5136      0.00000
      5      -0.7229      0.00000
      6       0.2389      0.00000
      7      -0.2788      0.00000
      8      -0.5730      0.00000
      9       0.0365      0.00000
     10      -0.0117      0.00000
     11       0.0516      0.00000
     12       0.0035      0.00000
     13       1.0248      0.00000
     14       0.1026      0.00000
     15      -0.0760      0.00000
     16       0.3774      0.00000
     17       1.0195      0.00000
     18       0.3540      0.00000
     19      -0.1442      0.00000
     20      -0.8840      0.00000
     21      -1.2346      0.00000
     22      -1.4539      0.00000
     23       2.9278      0.00000
     24      -0.6469      0.00000
     25      -0.1159      0.00000
     26       0.6173      0.00000
     27      -0.3191      0.00000
     28       2.0449      0.00000
     29      -0.8499      0.00000
     30       1.0151      0.00000
     31      -2.1811      0.00000
     32      -1.2878      0.00000
     33      -0.6562      0.00000
     34      -0.5390      0.00000
     35      -0.9806      0.00000
     36      -0.1951      0.00000
     37      -1.7004      0.00000
     38      -0.7932      0.00000
     39       3.7995      0.00000
     40       2.1571      0.00000

 k-point  11 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1      -0.3030      0.00000
      2       0.2294      0.00000
      3       0.2575      0.00000
      4      -0.7202      0.00000
      5      -0.7407      0.00000
      6       0.2785      0.00000
      7      -0.0271      0.00000
      8      -0.7249      0.00000
      9      -0.0479      0.00000
     10      -0.0725      0.00000
     11       0.0639      0.00000
     12       0.1984      0.00000
     13       0.3443      0.00000
     14       1.3019      0.00000
     15      -0.6677      0.00000
     16       0.1682      0.00000
     17       1.3651      0.00000
     18       0.4072      0.00000
     19      -0.3577      0.00000
     20       0.2191      0.00000
     21      -2.9838      0.00000
     22      -0.9420      0.00000
     23       3.2629      0.00000
     24      -0.7408      0.00000
     25      -0.1176      0.00000
     26       0.7316      0.00000
     27      -0.3668      0.00000
     28       2.3925      0.00000
     29      -1.1185      0.00000
     30       0.8578      0.00000
     31      -2.5407      0.00000
     32      -2.5440      0.00000
     33       1.3802      0.00000
     34       0.5852      0.00000
     35      -4.1507      0.00000
     36      -0.3761      0.00000
     37      -0.0893      0.00000
     38       1.2459      0.00000
     39       3.0667      0.00000
     40      -0.3221      0.00000

 k-point  12 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0440      0.00000
      2       0.0227      0.00000
      3       0.1129      0.00000
      4       0.0136      0.00000
      5      -0.1852      0.00000
      6      -0.2656      0.00000
      7      -0.0289      0.00000
      8      -0.1913      0.00000
      9      -0.0044      0.00000
     10      -0.0511      0.00000
     11       0.0181      0.00000
     12       0.1773      0.00000
     13       0.1143      0.00000
     14       0.4452      0.00000
     15      -0.1590      0.00000
     16       0.2228      0.00000
     17      -0.0700      0.00000
     18       0.2152      0.00000
     19       0.0624      0.00000
     20      -0.4132      0.00000
     21      -0.3172      0.00000
     22       0.3543      0.00000
     23      -1.3995      0.00000
     24      -0.3426      0.00000
     25       1.1582      0.00000
     26       1.3106      0.00000
     27      -0.6480      0.00000
     28       1.1229      0.00000
     29      -0.1890      0.00000
     30      -0.6315      0.00000
     31       0.0821      0.00000
     32      -1.9207      0.00000
     33      -0.9763      0.00000
     34      -0.4558      0.00000
     35       1.4298      0.00000
     36       1.1877      0.00000
     37      -0.2093      0.00000
     38      -0.7415      0.00000
     39       1.2974      0.00000
     40      -0.4424      0.00000

 k-point  13 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.1124      0.00000
      2       0.0733      0.00000
      3       0.3615      0.00000
      4      -0.3947      0.00000
      5      -0.4380      0.00000
      6      -0.0908      0.00000
      7      -0.1667      0.00000
      8      -0.4458      0.00000
      9       0.1156      0.00000
     10      -0.0489      0.00000
     11       0.0377      0.00000
     12       0.0911      0.00000
     13       0.6682      0.00000
     14      -0.1174      0.00000
     15       0.1416      0.00000
     16       0.4474      0.00000
     17       0.2117      0.00000
     18       0.3194      0.00000
     19       0.0170      0.00000
     20      -1.2738      0.00000
     21       0.1561      0.00000
     22      -0.6977      0.00000
     23       1.1469      0.00000
     24      -0.0065      0.00000
     25      -0.4824      0.00000
     26       0.5358      0.00000
     27       0.0140      0.00000
     28       1.4125      0.00000
     29       0.8687      0.00000
     30      -0.7328      0.00000
     31      -0.7349      0.00000
     32      -2.0946      0.00000
     33      -1.2058      0.00000
     34      -0.5913      0.00000
     35      -0.1290      0.00000
     36       1.4588      0.00000
     37      -0.5628      0.00000
     38      -1.3410      0.00000
     39       3.0546      0.00000
     40       0.8758      0.00000

 k-point  14 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.2325      0.00000
      2       0.1825      0.00000
      3       0.2950      0.00000
      4      -0.6517      0.00000
      5      -0.5024      0.00000
      6       0.0566      0.00000
      7      -0.0275      0.00000
      8      -0.6752      0.00000
      9       0.0127      0.00000
     10      -0.0697      0.00000
     11       0.1107      0.00000
     12       0.3122      0.00000
     13       0.5136      0.00000
     14       0.5927      0.00000
     15       0.1835      0.00000
     16      -0.4119      0.00000
     17       0.9258      0.00000
     18       0.2189      0.00000
     19      -0.0062      0.00000
     20      -1.2750      0.00000
     21      -1.1132      0.00000
     22      -0.2985      0.00000
     23       3.0287      0.00000
     24      -0.9608      0.00000
     25      -0.7004      0.00000
     26       0.4353      0.00000
     27       0.1111      0.00000
     28       1.7891      0.00000
     29       0.7578      0.00000
     30      -0.5410      0.00000
     31      -1.5749      0.00000
     32      -1.8489      0.00000
     33      -1.1547      0.00000
     34       1.1309      0.00000
     35      -0.2394      0.00000
     36      -2.1548      0.00000
     37       0.3966      0.00000
     38      -1.7151      0.00000
     39       3.4386      0.00000
     40       1.0730      0.00000

 k-point  15 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.0799      0.00000
      2       0.0633      0.00000
      3       0.0453      0.00000
      4       0.0148      0.00000
      5      -0.2033      0.00000
      6      -0.1013      0.00000
      7      -0.0610      0.00000
      8      -0.3849      0.00000
      9      -0.0407      0.00000
     10      -0.0734      0.00000
     11       0.0648      0.00000
     12       0.3016      0.00000
     13       0.2439      0.00000
     14      -0.1242      0.00000
     15       0.4415      0.00000
     16       0.0091      0.00000
     17      -0.1850      0.00000
     18       0.3225      0.00000
     19       0.0529      0.00000
     20      -0.7589      0.00000
     21      -0.3500      0.00000
     22       0.4136      0.00000
     23       1.6298      0.00000
     24      -0.9917      0.00000
     25      -0.9794      0.00000
     26       1.7584      0.00000
     27      -0.9648      0.00000
     28       1.1609      0.00000
     29      -0.4563      0.00000
     30      -0.7127      0.00000
     31      -0.3671      0.00000
     32      -0.5025      0.00000
     33      -0.3458      0.00000
     34       0.5644      0.00000
     35       0.5311      0.00000
     36      -1.7213      0.00000
     37       1.0826      0.00000
     38      -1.5596      0.00000
     39       2.7073      0.00000
     40      -0.3749      0.00000

 k-point  16 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.2303      0.00000
      2       0.2093      0.00000
      3       0.1218      0.00000
      4      -0.3517      0.00000
      5       0.0548      0.00000
      6      -0.0910      0.00000
      7      -0.0060      0.00000
      8      -0.8845      0.00000
      9       0.0858      0.00000
     10      -0.2472      0.00000
     11       0.4654      0.00000
     12       0.3730      0.00000
     13       0.0115      0.00000
     14      -0.0682      0.00000
     15       0.7163      0.00000
     16      -0.7972      0.00000
     17       1.0560      0.00000
     18      -0.0872      0.00000
     19       0.4469      0.00000
     20      -1.3317      0.00000
     21      -0.8813      0.00000
     22       0.6674      0.00000
     23       2.9115      0.00000
     24      -1.9724      0.00000
     25      -1.5634      0.00000
     26       1.0233      0.00000
     27       0.4219      0.00000
     28       1.9360      0.00000
     29       0.3618      0.00000
     30      -1.9625      0.00000
     31      -0.7149      0.00000
     32      -0.4329      0.00000
     33       0.2635      0.00000
     34       0.5112      0.00000
     35      -2.6013      0.00000
     36       1.4313      0.00000
     37      -0.1263      0.00000
     38      -0.3013      0.00000
     39      -3.6777      0.00000
     40       5.1939      0.00000

 k-point  17 :       0.0000    0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0001      0.00000
      2       0.0001      0.00000
      3      -0.4013      0.00000
      4       0.4014      0.00000
      5       0.0000      0.00000
      6       0.0000      0.00000
      7      -0.3993      0.00000
      8       0.3993      0.00000
      9       0.0150      0.00000
     10      -0.0150      0.00000
     11       0.0268      0.00000
     12      -0.0268      0.00000
     13       0.0000      0.00000
     14      -0.5453      0.00000
     15       0.5454      0.00000
     16       0.0000      0.00000
     17      -0.0265      0.00000
     18       0.0266      0.00000
     19       0.0000      0.00000
     20       0.0000      0.00000
     21       0.0000      0.00000
     22      -0.0199      0.00000
     23       0.0199      0.00000
     24       0.0000      0.00000
     25      -3.0886      0.00000
     26       3.0886      0.00000
     27       0.0000      0.00000
     28      -1.0349      0.00000
     29       1.0349      0.00000
     30       0.0000      0.00000
     31      -0.8446      0.00000
     32       0.8446      0.00000
     33       0.0000      0.00000
     34       0.0000      0.00000
     35      -3.5969      0.00000
     36       3.5970      0.00000
     37      -3.5178      0.00000
     38       3.5179      0.00000
     39       0.0000      0.00000
     40       0.0001      0.00000

 k-point  18 :       0.0909    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0036      0.00000
      2      -0.0031      0.00000
      3      -0.0794      0.00000
      4      -0.4493      0.00000
      5      -0.0362      0.00000
      6       1.1098      0.00000
      7      -0.4159      0.00000
      8      -0.3239      0.00000
      9      -0.0241      0.00000
     10       0.0388      0.00000
     11       0.0241      0.00000
     12       0.0248      0.00000
     13       0.1493      0.00000
     14       0.2609      0.00000
     15       0.3836      0.00000
     16      -0.5245      0.00000
     17      -0.1987      0.00000
     18       0.1078      0.00000
     19       0.0949      0.00000
     20      -0.0911      0.00000
     21      -0.1389      0.00000
     22       0.0594      0.00000
     23       0.2434      0.00000
     24       0.1132      0.00000
     25      -2.4372      0.00000
     26       2.5227      0.00000
     27      -0.5090      0.00000
     28      -0.0594      0.00000
     29       0.5457      0.00000
     30      -0.3495      0.00000
     31       0.0437      0.00000
     32       0.0105      0.00000
     33       0.1972      0.00000
     34       1.7416      0.00000
     35       1.0151      0.00000
     36      -3.4191      0.00000
     37      -4.1829      0.00000
     38       3.2267      0.00000
     39      -0.2190      0.00000
     40       0.9843      0.00000

 k-point  19 :       0.1818    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0244      0.00000
      2      -0.0003      0.00000
      3      -0.0425      0.00000
      4       0.1228      0.00000
      5      -0.5615      0.00000
      6       0.9925      0.00000
      7      -0.4798      0.00000
      8      -0.5872      0.00000
      9      -0.0060      0.00000
     10       0.0709      0.00000
     11       0.0254      0.00000
     12       0.0437      0.00000
     13       0.3508      0.00000
     14      -0.0037      0.00000
     15       0.7071      0.00000
     16      -0.3466      0.00000
     17      -0.1742      0.00000
     18       0.2141      0.00000
     19       0.1540      0.00000
     20      -0.2125      0.00000
     21      -0.5784      0.00000
     22      -0.1862      0.00000
     23      -0.7961      0.00000
     24       0.4065      0.00000
     25       0.0832      0.00000
     26       1.6968      0.00000
     27      -0.8851      0.00000
     28       0.6162      0.00000
     29       0.2669      0.00000
     30      -0.9407      0.00000
     31       0.4113      0.00000
     32      -0.6567      0.00000
     33       0.9869      0.00000
     34       1.2780      0.00000
     35      -2.6649      0.00000
     36      -1.4307      0.00000
     37      -2.3885      0.00000
     38       2.4733      0.00000
     39      -1.4194      0.00000
     40       2.5905      0.00000

 k-point  20 :       0.2727    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0658      0.00000
      2       0.0171      0.00000
      3      -0.0443      0.00000
      4       0.0531      0.00000
      5      -0.6865      0.00000
      6       0.9013      0.00000
      7      -0.6031      0.00000
      8      -0.6804      0.00000
      9       0.0779      0.00000
     10       0.0770      0.00000
     11       0.0341      0.00000
     12       0.0589      0.00000
     13       0.6252      0.00000
     14      -0.1391      0.00000
     15       0.7804      0.00000
     16      -0.0747      0.00000
     17      -0.0031      0.00000
     18       0.3441      0.00000
     19       0.1419      0.00000
     20      -0.3653      0.00000
     21      -1.1333      0.00000
     22      -0.8152      0.00000
     23       1.0357      0.00000
     24      -0.0642      0.00000
     25       0.3500      0.00000
     26       1.1332      0.00000
     27      -1.0643      0.00000
     28       1.0099      0.00000
     29       0.5414      0.00000
     30      -0.1673      0.00000
     31      -1.1661      0.00000
     32       0.8407      0.00000
     33      -2.3092      0.00000
     34       0.0376      0.00000
     35      -0.5553      0.00000
     36      -3.0387      0.00000
     37       1.6891      0.00000
     38       0.0304      0.00000
     39       2.1796      0.00000
     40      -0.6373      0.00000

 k-point  21 :       0.3636    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.1368      0.00000
      2       0.0652      0.00000
      3      -0.0604      0.00000
      4      -0.1024      0.00000
      5      -0.7556      0.00000
      6       0.8985      0.00000
      7      -0.7833      0.00000
      8      -0.6838      0.00000
      9       0.0861      0.00000
     10       0.0273      0.00000
     11       0.0464      0.00000
     12       0.0808      0.00000
     13       0.9225      0.00000
     14       0.0020      0.00000
     15       0.3748      0.00000
     16       0.2275      0.00000
     17       0.3461      0.00000
     18       0.4697      0.00000
     19       0.0268      0.00000
     20      -0.3476      0.00000
     21      -1.2225      0.00000
     22      -1.8615      0.00000
     23       2.6575      0.00000
     24      -0.5314      0.00000
     25       0.2278      0.00000
     26       0.9093      0.00000
     27      -0.9389      0.00000
     28       1.0644      0.00000
     29       1.0780      0.00000
     30      -0.6738      0.00000
     31      -1.4841      0.00000
     32       0.1780      0.00000
     33      -2.8903      0.00000
     34      -1.9032      0.00000
     35       0.8494      0.00000
     36       0.8783      0.00000
     37      -0.4084      0.00000
     38       3.2626      0.00000
     39      -1.3178      0.00000
     40       1.7413      0.00000

 k-point  22 :       0.4545    0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.2454      0.00000
      2       0.1599      0.00000
      3       0.0518      0.00000
      4      -0.4234      0.00000
      5      -0.7597      0.00000
      6       0.9352      0.00000
      7      -0.3836      0.00000
      8      -0.9468      0.00000
      9      -0.0890      0.00000
     10      -0.0431      0.00000
     11       0.0538      0.00000
     12       0.0287      0.00000
     13       0.7116      0.00000
     14       0.8475      0.00000
     15      -0.5833      0.00000
     16       0.4681      0.00000
     17       0.9342      0.00000
     18       0.5370      0.00000
     19      -0.2967      0.00000
     20       0.4633      0.00000
     21      -2.7192      0.00000
     22      -1.2869      0.00000
     23       2.9373      0.00000
     24      -0.4672      0.00000
     25       0.2421      0.00000
     26       0.7437      0.00000
     27      -0.8894      0.00000
     28       1.6224      0.00000
     29      -1.1563      0.00000
     30       0.9978      0.00000
     31      -1.9445      0.00000
     32       0.8991      0.00000
     33      -0.7274      0.00000
     34      -2.2392      0.00000
     35       0.7510      0.00000
     36      -2.4918      0.00000
     37      -0.4902      0.00000
     38       2.1502      0.00000
     39      -0.1940      0.00000
     40       1.4019      0.00000

 k-point  23 :       0.0909    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0050      0.00000
      2      -0.0041      0.00000
      3      -0.0822      0.00000
      4      -0.2100      0.00000
      5      -0.2078      0.00000
      6       0.9303      0.00000
      7      -0.0767      0.00000
      8      -0.6499      0.00000
      9      -0.0111      0.00000
     10       0.0398      0.00000
     11       0.0057      0.00000
     12       0.0545      0.00000
     13       0.2432      0.00000
     14       0.3487      0.00000
     15      -0.1496      0.00000
     16      -0.0313      0.00000
     17      -0.1672      0.00000
     18       0.0517      0.00000
     19       0.0836      0.00000
     20      -0.1271      0.00000
     21      -0.1633      0.00000
     22       0.2532      0.00000
     23      -1.6392      0.00000
     24       0.7714      0.00000
     25       0.3895      0.00000
     26       0.6428      0.00000
     27      -0.5293      0.00000
     28       0.5761      0.00000
     29      -0.5673      0.00000
     30       0.2099      0.00000
     31       0.0229      0.00000
     32       0.2527      0.00000
     33      -0.3565      0.00000
     34       0.6595      0.00000
     35      -0.3239      0.00000
     36      -0.5205      0.00000
     37      -2.4157      0.00000
     38       1.0666      0.00000
     39       0.7305      0.00000
     40      -0.5772      0.00000

 k-point  24 :       0.1818    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0339      0.00000
      2       0.0039      0.00000
      3      -0.0151      0.00000
      4      -0.0845      0.00000
      5      -0.3389      0.00000
      6       0.7105      0.00000
      7      -0.3239      0.00000
      8      -0.6739      0.00000
      9       0.0065      0.00000
     10       0.0791      0.00000
     11       0.0175      0.00000
     12       0.0658      0.00000
     13       0.4762      0.00000
     14      -0.0575      0.00000
     15       0.5176      0.00000
     16      -0.0103      0.00000
     17       0.0321      0.00000
     18       0.0050      0.00000
     19       0.1353      0.00000
     20      -0.2973      0.00000
     21      -0.6533      0.00000
     22      -0.0786      0.00000
     23      -0.7424      0.00000
     24       0.8915      0.00000
     25       0.0671      0.00000
     26       0.8930      0.00000
     27      -0.4591      0.00000
     28       0.4827      0.00000
     29       0.3088      0.00000
     30       0.0600      0.00000
     31      -0.7407      0.00000
     32      -0.9266      0.00000
     33      -0.1817      0.00000
     34       0.5981      0.00000
     35      -0.8167      0.00000
     36      -1.2138      0.00000
     37      -0.2427      0.00000
     38      -0.5326      0.00000
     39       1.3210      0.00000
     40      -0.0025      0.00000

 k-point  25 :       0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0861      0.00000
      2       0.0327      0.00000
      3      -0.0129      0.00000
      4      -0.1015      0.00000
      5      -0.5131      0.00000
      6       0.6589      0.00000
      7      -0.5388      0.00000
      8      -0.7155      0.00000
      9       0.0827      0.00000
     10       0.0439      0.00000
     11       0.0324      0.00000
     12       0.1017      0.00000
     13       0.8126      0.00000
     14      -0.2040      0.00000
     15       0.6595      0.00000
     16       0.0996      0.00000
     17       0.2084      0.00000
     18       0.1621      0.00000
     19       0.1111      0.00000
     20      -0.5433      0.00000
     21      -0.8986      0.00000
     22      -0.9998      0.00000
     23       1.6622      0.00000
     24      -0.2684      0.00000
     25      -0.0888      0.00000
     26       0.9635      0.00000
     27      -0.6611      0.00000
     28       0.7980      0.00000
     29       0.5839      0.00000
     30      -0.2415      0.00000
     31      -0.9029      0.00000
     32      -1.9525      0.00000
     33       0.0357      0.00000
     34      -0.0216      0.00000
     35       0.8525      0.00000
     36      -1.8826      0.00000
     37      -0.8960      0.00000
     38       1.1134      0.00000
     39       2.1318      0.00000
     40       0.0371      0.00000

 k-point  26 :       0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.1755      0.00000
      2       0.1037      0.00000
      3       0.0275      0.00000
      4      -0.2874      0.00000
      5      -0.6496      0.00000
      6       0.6574      0.00000
      7      -0.4684      0.00000
      8      -0.7812      0.00000
      9       0.0176      0.00000
     10      -0.0123      0.00000
     11       0.0429      0.00000
     12       0.0034      0.00000
     13       0.9411      0.00000
     14       0.4401      0.00000
     15      -0.1272      0.00000
     16       0.3524      0.00000
     17       0.5174      0.00000
     18       0.4000      0.00000
     19      -0.0339      0.00000
     20      -0.2285      0.00000
     21      -1.5525      0.00000
     22      -1.4602      0.00000
     23       2.7972      0.00000
     24      -0.6039      0.00000
     25      -0.2463      0.00000
     26       0.9093      0.00000
     27      -0.5971      0.00000
     28       1.0914      0.00000
     29       0.4142      0.00000
     30      -0.2817      0.00000
     31      -1.4372      0.00000
     32      -1.2024      0.00000
     33       0.0084      0.00000
     34       1.1419      0.00000
     35      -1.6660      0.00000
     36      -0.8701      0.00000
     37      -1.7419      0.00000
     38       3.3145      0.00000
     39      -1.0676      0.00000
     40       2.1843      0.00000

 k-point  27 :       0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.2701      0.00000
      2       0.1915      0.00000
      3       0.2332      0.00000
      4      -0.6309      0.00000
      5      -0.7226      0.00000
      6       0.4532      0.00000
      7       0.0356      0.00000
      8      -0.8419      0.00000
      9      -0.0257      0.00000
     10      -0.0583      0.00000
     11       0.0365      0.00000
     12       0.1630      0.00000
     13       0.3039      0.00000
     14       1.1262      0.00000
     15      -0.4425      0.00000
     16      -0.0020      0.00000
     17       1.1032      0.00000
     18       0.4767      0.00000
     19      -0.2837      0.00000
     20       0.4535      0.00000
     21      -2.6043      0.00000
     22      -0.9891      0.00000
     23       2.7181      0.00000
     24      -0.3700      0.00000
     25      -0.4039      0.00000
     26       0.7781      0.00000
     27      -0.5072      0.00000
     28       1.5720      0.00000
     29       0.0592      0.00000
     30      -0.1995      0.00000
     31      -1.7117      0.00000
     32      -1.4720      0.00000
     33       0.9860      0.00000
     34       1.3161      0.00000
     35      -3.3958      0.00000
     36      -1.6299      0.00000
     37      -0.3330      0.00000
     38       2.6562      0.00000
     39       1.0052      0.00000
     40      -0.7178      0.00000

 k-point  28 :       0.1818    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0289      0.00000
      2       0.0058      0.00000
      3      -0.0371      0.00000
      4      -0.1118      0.00000
      5       0.1791      0.00000
      6       0.1780      0.00000
      7      -0.0978      0.00000
      8      -0.8327      0.00000
      9      -0.0156      0.00000
     10       0.0277      0.00000
     11       0.0083      0.00000
     12       0.1257      0.00000
     13       0.5801      0.00000
     14      -0.1495      0.00000
     15       0.3792      0.00000
     16       0.2278      0.00000
     17      -0.0445      0.00000
     18      -0.1373      0.00000
     19       0.0927      0.00000
     20      -0.4854      0.00000
     21      -0.2260      0.00000
     22       0.3653      0.00000
     23      -1.1114      0.00000
     24       0.2328      0.00000
     25       0.5318      0.00000
     26       0.0113      0.00000
     27       1.3873      0.00000
     28      -0.6194      0.00000
     29      -0.0147      0.00000
     30       0.5124      0.00000
     31      -0.9009      0.00000
     32      -0.4791      0.00000
     33      -1.2104      0.00000
     34       1.5311      0.00000
     35      -0.1959      0.00000
     36      -1.1972      0.00000
     37       1.5197      0.00000
     38       0.8219      0.00000
     39      -0.3959      0.00000
     40      -0.4073      0.00000

 k-point  29 :       0.2727    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0886      0.00000
      2       0.0465      0.00000
      3       0.1501      0.00000
      4      -0.3977      0.00000
      5      -0.1730      0.00000
      6       0.4251      0.00000
      7      -0.7445      0.00000
      8      -0.4265      0.00000
      9       0.0575      0.00000
     10      -0.0159      0.00000
     11       0.0256      0.00000
     12       0.0901      0.00000
     13       0.8908      0.00000
     14      -0.0262      0.00000
     15       0.1903      0.00000
     16       0.3815      0.00000
     17       0.0655      0.00000
     18       0.0762      0.00000
     19       0.0975      0.00000
     20      -0.8867      0.00000
     21      -0.2712      0.00000
     22      -0.5203      0.00000
     23       1.8475      0.00000
     24      -0.8005      0.00000
     25      -0.4347      0.00000
     26       0.7153      0.00000
     27       0.2579      0.00000
     28      -0.0832      0.00000
     29       0.6158      0.00000
     30      -0.7344      0.00000
     31      -0.0552      0.00000
     32      -1.2930      0.00000
     33      -0.3078      0.00000
     34       1.0810      0.00000
     35      -0.0240      0.00000
     36      -1.4754      0.00000
     37      -1.8056      0.00000
     38       2.2094      0.00000
     39       0.6240      0.00000
     40       0.9111      0.00000

 k-point  30 :       0.3636    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.1985      0.00000
      2       0.1450      0.00000
      3       0.2296      0.00000
      4      -0.6553      0.00000
      5      -0.3466      0.00000
      6       0.4882      0.00000
      7      -0.3167      0.00000
      8      -0.8162      0.00000
      9       0.0215      0.00000
     10       0.0057      0.00000
     11       0.0425      0.00000
     12       0.2161      0.00000
     13       0.6131      0.00000
     14       0.6708      0.00000
     15       0.0299      0.00000
     16      -0.2302      0.00000
     17       0.3704      0.00000
     18       0.4323      0.00000
     19       0.0584      0.00000
     20      -0.4189      0.00000
     21      -1.6673      0.00000
     22      -0.3299      0.00000
     23       2.5658      0.00000
     24      -0.8209      0.00000
     25      -0.7186      0.00000
     26       0.7542      0.00000
     27       0.0273      0.00000
     28       0.3500      0.00000
     29       0.7428      0.00000
     30      -0.5033      0.00000
     31      -0.2794      0.00000
     32      -1.9236      0.00000
     33       1.3448      0.00000
     34       0.4986      0.00000
     35      -1.2655      0.00000
     36      -1.5436      0.00000
     37      -2.2233      0.00000
     38      -0.3186      0.00000
     39       4.0968      0.00000
     40      -0.0928      0.00000

 k-point  31 :       0.2727    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0585      0.00000
      2       0.0406      0.00000
      3      -0.0761      0.00000
      4      -0.0150      0.00000
      5      -0.0436      0.00000
      6       0.3694      0.00000
      7      -0.3637      0.00000
      8      -0.7005      0.00000
      9       0.0404      0.00000
     10      -0.0130      0.00000
     11      -0.0040      0.00000
     12       0.2061      0.00000
     13       0.5358      0.00000
     14      -0.1086      0.00000
     15       0.3544      0.00000
     16       0.2261      0.00000
     17      -0.1856      0.00000
     18      -0.0021      0.00000
     19       0.0915      0.00000
     20      -0.6146      0.00000
     21      -0.6790      0.00000
     22       0.4382      0.00000
     23       1.3763      0.00000
     24      -0.5690      0.00000
     25      -0.9179      0.00000
     26       1.7397      0.00000
     27      -0.8117      0.00000
     28      -0.1657      0.00000
     29       0.1679      0.00000
     30      -0.1710      0.00000
     31      -0.0216      0.00000
     32      -0.2622      0.00000
     33      -0.1051      0.00000
     34       0.0977      0.00000
     35      -0.8661      0.00000
     36       0.3493      0.00000
     37      -0.1412      0.00000
     38      -1.2557      0.00000
     39       1.8930      0.00000
     40       0.2138      0.00000

 k-point  32 :       0.3636    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.2017      0.00000
      2       0.1794      0.00000
      3       0.1786      0.00000
      4      -0.3354      0.00000
      5      -0.1518      0.00000
      6       0.2347      0.00000
      7      -0.0522      0.00000
      8      -0.8368      0.00000
      9       0.1894      0.00000
     10      -0.0367      0.00000
     11       0.2082      0.00000
     12       0.1722      0.00000
     13       0.0141      0.00000
     14       0.6389      0.00000
     15      -0.0469      0.00000
     16      -0.7393      0.00000
     17       0.3012      0.00000
     18       0.5664      0.00000
     19       0.4995      0.00000
     20      -1.2925      0.00000
     21      -0.8417      0.00000
     22       0.6522      0.00000
     23       2.4432      0.00000
     24      -1.7083      0.00000
     25      -1.2189      0.00000
     26       1.1106      0.00000
     27       0.1513      0.00000
     28       0.4198      0.00000
     29       0.2354      0.00000
     30      -0.1058      0.00000
     31      -1.1122      0.00000
     32      -0.4302      0.00000
     33       1.7394      0.00000
     34      -1.3928      0.00000
     35       0.2015      0.00000
     36      -0.1591      0.00000
     37       0.0140      0.00000
     38      -2.1508      0.00000
     39      -1.2000      0.00000
     40       3.5987      0.00000

 k-point  33 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0001      0.00000
      2       0.0001      0.00000
      3       0.0000      0.00000
      4       0.0000      0.00000
      5      -0.3956      0.00000
      6       0.3957      0.00000
      7      -0.3943      0.00000
      8       0.3944      0.00000
      9       0.0087      0.00000
     10      -0.0087      0.00000
     11       0.0152      0.00000
     12      -0.0151      0.00000
     13       0.0000      0.00000
     14       0.0000      0.00000
     15      -0.4350      0.00000
     16       0.4351      0.00000
     17      -0.1061      0.00000
     18       0.1062      0.00000
     19       0.0000      0.00000
     20       0.0000      0.00000
     21       0.0000      0.00000
     22       0.0000      0.00000
     23      -0.6811      0.00000
     24       0.6812      0.00000
     25      -2.3467      0.00000
     26       2.3468      0.00000
     27       0.0000      0.00000
     28       0.0000      0.00000
     29      -1.3808      0.00000
     30       1.3808      0.00000
     31      -0.0860      0.00000
     32       0.0860      0.00000
     33       0.0000      0.00000
     34      -1.2954      0.00000
     35       1.2954      0.00000
     36       0.0000      0.00000
     37      -2.9788      0.00000
     38       2.9789      0.00000
     39       0.0000      0.00000
     40      -0.0000      0.00000

 k-point  34 :       0.0909    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0015      0.00000
      2      -0.0089      0.00000
      3      -0.2485      0.00000
      4       0.2482      0.00000
      5      -0.4499      0.00000
      6       0.7601      0.00000
      7      -0.0506      0.00000
      8      -0.4039      0.00000
      9      -0.0196      0.00000
     10       0.0343      0.00000
     11       0.0099      0.00000
     12       0.0189      0.00000
     13       0.1750      0.00000
     14       0.0252      0.00000
     15       0.4348      0.00000
     16      -0.4700      0.00000
     17      -0.0644      0.00000
     18       0.0328      0.00000
     19       0.0931      0.00000
     20      -0.0622      0.00000
     21      -0.1458      0.00000
     22      -0.0719      0.00000
     23       0.2466      0.00000
     24      -2.3830      0.00000
     25       0.9358      0.00000
     26       1.8166      0.00000
     27      -0.9539      0.00000
     28       0.6145      0.00000
     29      -0.3306      0.00000
     30       0.6690      0.00000
     31       0.1896      0.00000
     32      -1.1835      0.00000
     33       0.8158      0.00000
     34       0.2570      0.00000
     35      -0.9465      0.00000
     36      -0.7565      0.00000
     37      -1.0772      0.00000
     38       2.7135      0.00000
     39       0.2060      0.00000
     40      -0.6658      0.00000

 k-point  35 :       0.1818    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0104      0.00000
      2      -0.0170      0.00000
      3      -0.2321      0.00000
      4       0.3532      0.00000
      5      -0.5727      0.00000
      6       0.8995      0.00000
      7      -0.4091      0.00000
      8      -0.4564      0.00000
      9      -0.0111      0.00000
     10       0.0663      0.00000
     11       0.0117      0.00000
     12       0.0312      0.00000
     13       0.3989      0.00000
     14      -0.0090      0.00000
     15       0.6235      0.00000
     16      -0.3372      0.00000
     17      -0.3538      0.00000
     18       0.1880      0.00000
     19       0.2259      0.00000
     20      -0.0778      0.00000
     21      -0.5343      0.00000
     22      -0.7584      0.00000
     23       1.0151      0.00000
     24      -1.2171      0.00000
     25       1.0039      0.00000
     26       1.2436      0.00000
     27      -1.2273      0.00000
     28       0.1804      0.00000
     29       0.2790      0.00000
     30      -0.8812      0.00000
     31      -1.7851      0.00000
     32       0.8925      0.00000
     33      -1.7785      0.00000
     34       2.4971      0.00000
     35      -0.2327      0.00000
     36       0.4180      0.00000
     37       1.9228      0.00000
     38      -0.4256      0.00000
     39       0.1195      0.00000
     40      -0.0339      0.00000

 k-point  36 :       0.2727    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0371      0.00000
      2      -0.0173      0.00000
      3      -0.2270      0.00000
      4       0.2990      0.00000
      5      -0.7166      0.00000
      6       1.0014      0.00000
      7      -0.5582      0.00000
      8      -0.5597      0.00000
      9       0.0231      0.00000
     10       0.0758      0.00000
     11       0.0211      0.00000
     12       0.0197      0.00000
     13       0.6804      0.00000
     14      -0.0146      0.00000
     15       0.6139      0.00000
     16      -0.0906      0.00000
     17      -0.4780      0.00000
     18       0.3436      0.00000
     19       0.3481      0.00000
     20      -0.0180      0.00000
     21      -0.9175      0.00000
     22      -1.3431      0.00000
     23       1.4863      0.00000
     24      -0.1336      0.00000
     25       0.7968      0.00000
     26       0.9162      0.00000
     27      -1.5660      0.00000
     28      -0.4043      0.00000
     29       0.6056      0.00000
     30      -0.3278      0.00000
     31      -0.6361      0.00000
     32      -1.7696      0.00000
     33       0.2852      0.00000
     34       0.9266      0.00000
     35       0.0887      0.00000
     36       1.0532      0.00000
     37       2.0066      0.00000
     38      -0.0465      0.00000
     39      -0.1805      0.00000
     40       0.8301      0.00000

 k-point  37 :       0.3636    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0834      0.00000
      2       0.0031      0.00000
      3      -0.2395      0.00000
      4       0.1680      0.00000
      5      -0.8021      0.00000
      6       1.0462      0.00000
      7      -0.5197      0.00000
      8      -0.7138      0.00000
      9       0.0421      0.00000
     10       0.0319      0.00000
     11       0.0309      0.00000
     12       0.0133      0.00000
     13       0.6842      0.00000
     14       0.3642      0.00000
     15       0.2254      0.00000
     16       0.1973      0.00000
     17       0.4741      0.00000
     18      -0.3245      0.00000
     19       0.3963      0.00000
     20       0.2438      0.00000
     21      -1.0181      0.00000
     22      -1.9163      0.00000
     23       1.9675      0.00000
     24       0.0543      0.00000
     25       0.4641      0.00000
     26       0.8547      0.00000
     27      -1.6350      0.00000
     28      -0.9140      0.00000
     29       0.7336      0.00000
     30       0.0484      0.00000
     31      -0.1627      0.00000
     32      -1.3071      0.00000
     33      -0.2255      0.00000
     34       0.1129      0.00000
     35      -0.0572      0.00000
     36       0.0948      0.00000
     37       2.0642      0.00000
     38       0.3957      0.00000
     39       0.6644      0.00000
     40      -0.7643      0.00000

 k-point  38 :       0.4545    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.1568      0.00000
      2       0.0605      0.00000
      3      -0.1138      0.00000
      4      -0.0984      0.00000
      5      -0.8012      0.00000
      6       0.9436      0.00000
      7      -0.2358      0.00000
      8      -0.8632      0.00000
      9      -0.0314      0.00000
     10      -0.0473      0.00000
     11       0.0306      0.00000
     12       0.0377      0.00000
     13       0.6200      0.00000
     14       0.5899      0.00000
     15      -0.3559      0.00000
     16       0.4344      0.00000
     17       0.5284      0.00000
     18       0.2148      0.00000
     19       0.2205      0.00000
     20       0.8158      0.00000
     21      -2.1126      0.00000
     22      -1.2283      0.00000
     23       1.8267      0.00000
     24       0.1491      0.00000
     25       0.3950      0.00000
     26       0.7224      0.00000
     27      -1.6067      0.00000
     28      -1.0782      0.00000
     29       0.4105      0.00000
     30       0.7382      0.00000
     31      -0.2186      0.00000
     32      -0.4696      0.00000
     33       0.2181      0.00000
     34      -0.6629      0.00000
     35       0.1894      0.00000
     36      -1.8649      0.00000
     37       2.7200      0.00000
     38      -1.4224      0.00000
     39       0.5295      0.00000
     40       2.6393      0.00000

 k-point  39 :       0.0909    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0025      0.00000
      2      -0.0126      0.00000
      3      -0.1745      0.00000
      4       0.1558      0.00000
      5      -0.3136      0.00000
      6       0.6831      0.00000
      7      -0.5053      0.00000
      8      -0.0594      0.00000
      9      -0.0186      0.00000
     10       0.0440      0.00000
     11      -0.0051      0.00000
     12       0.0426      0.00000
     13       0.2722      0.00000
     14       0.0201      0.00000
     15       0.3158      0.00000
     16      -0.3084      0.00000
     17      -0.1073      0.00000
     18       0.0133      0.00000
     19       0.0924      0.00000
     20      -0.0901      0.00000
     21      -0.1664      0.00000
     22      -0.1262      0.00000
     23       1.0310      0.00000
     24      -1.0912      0.00000
     25       0.2118      0.00000
     26       0.3120      0.00000
     27      -0.5359      0.00000
     28       0.3514      0.00000
     29       0.0732      0.00000
     30       0.1722      0.00000
     31      -0.8947      0.00000
     32       0.0433      0.00000
     33       0.0416      0.00000
     34      -0.0984      0.00000
     35       0.0059      0.00000
     36       0.7868      0.00000
     37      -0.4488      0.00000
     38       0.3047      0.00000
     39       0.5895      0.00000
     40      -0.7689      0.00000

 k-point  40 :       0.1818    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0154      0.00000
      2      -0.0179      0.00000
      3      -0.1608      0.00000
      4       0.1939      0.00000
      5      -0.2441      0.00000
      6       0.5656      0.00000
      7      -0.7064      0.00000
      8      -0.1817      0.00000
      9      -0.0089      0.00000
     10       0.0762      0.00000
     11       0.0043      0.00000
     12       0.0457      0.00000
     13       0.5346      0.00000
     14      -0.0174      0.00000
     15       0.5692      0.00000
     16      -0.1814      0.00000
     17      -0.3879      0.00000
     18       0.1424      0.00000
     19       0.2315      0.00000
     20      -0.1190      0.00000
     21      -0.5715      0.00000
     22      -0.5366      0.00000
     23       0.9706      0.00000
     24      -0.2332      0.00000
     25       0.1482      0.00000
     26       0.4958      0.00000
     27      -0.7591      0.00000
     28       0.2353      0.00000
     29       0.2295      0.00000
     30      -1.2328      0.00000
     31      -0.7645      0.00000
     32      -0.2760      0.00000
     33       1.3777      0.00000
     34      -0.5262      0.00000
     35       0.0674      0.00000
     36       1.1137      0.00000
     37       0.4614      0.00000
     38       0.8978      0.00000
     39      -0.1026      0.00000
     40      -0.3681      0.00000

 k-point  41 :       0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0493      0.00000
      2      -0.0105      0.00000
      3      -0.1780      0.00000
      4       0.1498      0.00000
      5      -0.4653      0.00000
      6       0.7762      0.00000
      7      -0.7704      0.00000
      8      -0.3856      0.00000
      9       0.0342      0.00000
     10       0.0426      0.00000
     11       0.0184      0.00000
     12       0.0426      0.00000
     13       0.7327      0.00000
     14       0.1622      0.00000
     15       0.3790      0.00000
     16       0.0777      0.00000
     17       0.1094      0.00000
     18      -0.2523      0.00000
     19       0.3572      0.00000
     20      -0.0471      0.00000
     21      -0.7684      0.00000
     22      -1.2759      0.00000
     23       1.7704      0.00000
     24      -0.1557      0.00000
     25      -0.2122      0.00000
     26       0.9028      0.00000
     27      -1.1276      0.00000
     28      -0.2572      0.00000
     29       0.2100      0.00000
     30      -0.3708      0.00000
     31       0.1232      0.00000
     32      -1.1995      0.00000
     33      -0.0561      0.00000
     34       0.6292      0.00000
     35       1.0046      0.00000
     36      -0.7642      0.00000
     37       0.4032      0.00000
     38       2.2103      0.00000
     39      -0.8460      0.00000
     40       0.3715      0.00000

 k-point  42 :       0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.1076      0.00000
      2       0.0269      0.00000
      3      -0.1518      0.00000
      4       0.0044      0.00000
      5      -0.6752      0.00000
      6       0.8735      0.00000
      7      -0.5372      0.00000
      8      -0.6327      0.00000
      9       0.0627      0.00000
     10      -0.0197      0.00000
     11       0.0035      0.00000
     12       0.0242      0.00000
     13       0.6943      0.00000
     14       0.4862      0.00000
     15      -0.0813      0.00000
     16       0.3878      0.00000
     17       0.2451      0.00000
     18      -0.0114      0.00000
     19       0.3699      0.00000
     20       0.3663      0.00000
     21      -1.4550      0.00000
     22      -1.2881      0.00000
     23       1.8114      0.00000
     24      -0.0984      0.00000
     25      -0.3225      0.00000
     26       1.1851      0.00000
     27      -1.2304      0.00000
     28      -0.8065      0.00000
     29       0.2268      0.00000
     30       0.3584      0.00000
     31       0.0966      0.00000
     32      -0.8226      0.00000
     33       0.0551      0.00000
     34       0.6117      0.00000
     35      -0.9026      0.00000
     36      -0.3999      0.00000
     37       2.6679      0.00000
     38      -1.2053      0.00000
     39      -1.1091      0.00000
     40       1.6140      0.00000

 k-point  43 :       0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.1777      0.00000
      2       0.0892      0.00000
      3       0.1344      0.00000
      4      -0.3574      0.00000
      5      -0.6633      0.00000
      6       0.4549      0.00000
      7       0.1136      0.00000
      8      -0.8478      0.00000
      9       0.0072      0.00000
     10       0.0539      0.00000
     11      -0.0334      0.00000
     12       0.0900      0.00000
     13       0.3389      0.00000
     14       0.7858      0.00000
     15       0.0453      0.00000
     16      -0.3188      0.00000
     17       0.3861      0.00000
     18       0.5872      0.00000
     19       0.1996      0.00000
     20       0.8607      0.00000
     21      -1.9498      0.00000
     22      -1.0836      0.00000
     23       1.5073      0.00000
     24      -0.0170      0.00000
     25      -0.0717      0.00000
     26       0.7871      0.00000
     27      -1.0248      0.00000
     28      -0.9375      0.00000
     29       0.3880      0.00000
     30       0.5562      0.00000
     31      -0.0494      0.00000
     32      -0.5781      0.00000
     33       0.2411      0.00000
     34       0.8641      0.00000
     35      -2.1024      0.00000
     36      -0.7632      0.00000
     37       3.0552      0.00000
     38      -1.3335      0.00000
     39       0.2224      0.00000
     40      -0.8317      0.00000

 k-point  44 :       0.1818    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0095      0.00000
      2      -0.0162      0.00000
      3      -0.0564      0.00000
      4      -0.0375      0.00000
      5       0.3292      0.00000
      6       0.1014      0.00000
      7      -0.7357      0.00000
      8      -0.1453      0.00000
      9      -0.0082      0.00000
     10       0.0386      0.00000
     11      -0.0012      0.00000
     12       0.0927      0.00000
     13       0.5866      0.00000
     14       0.0648      0.00000
     15       0.3928      0.00000
     16      -0.0034      0.00000
     17      -0.0555      0.00000
     18      -0.3954      0.00000
     19       0.1526      0.00000
     20      -0.3158      0.00000
     21      -0.1779      0.00000
     22       0.2059      0.00000
     23       0.0023      0.00000
     24       0.7208      0.00000
     25      -0.9155      0.00000
     26      -0.1993      0.00000
     27       1.1422      0.00000
     28      -0.9766      0.00000
     29       0.4722      0.00000
     30      -0.4049      0.00000
     31      -0.6926      0.00000
     32      -0.8772      0.00000
     33       1.1108      0.00000
     34       1.2142      0.00000
     35      -0.6854      0.00000
     36      -0.7180      0.00000
     37       2.3218      0.00000
     38      -0.1630      0.00000
     39       0.1037      0.00000
     40      -0.9423      0.00000

 k-point  45 :       0.2727    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0478      0.00000
      2       0.0006      0.00000
      3      -0.0056      0.00000
      4      -0.1366      0.00000
      5      -0.3117      0.00000
      6       0.6693      0.00000
      7      -0.6726      0.00000
      8      -0.4108      0.00000
      9       0.0735      0.00000
     10      -0.0241      0.00000
     11      -0.0046      0.00000
     12       0.0847      0.00000
     13       0.7427      0.00000
     14       0.2577      0.00000
     15      -0.0817      0.00000
     16       0.4630      0.00000
     17       0.0218      0.00000
     18      -0.3169      0.00000
     19       0.3118      0.00000
     20      -0.3161      0.00000
     21      -0.4709      0.00000
     22      -0.3930      0.00000
     23       1.3808      0.00000
     24      -0.3491      0.00000
     25      -0.8920      0.00000
     26       0.7576      0.00000
     27       0.0827      0.00000
     28      -0.8820      0.00000
     29      -0.1459      0.00000
     30       0.5188      0.00000
     31      -0.6564      0.00000
     32      -0.6717      0.00000
     33       0.8380      0.00000
     34       0.6272      0.00000
     35       0.4480      0.00000
     36      -0.9404      0.00000
     37       1.5990      0.00000
     38      -0.7675      0.00000
     39      -1.3806      0.00000
     40       0.9616      0.00000

 k-point  46 :       0.3636    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.1199      0.00000
      2       0.0598      0.00000
      3       0.0829      0.00000
      4      -0.2364      0.00000
      5      -0.4517      0.00000
      6       0.6014      0.00000
      7      -0.2857      0.00000
      8      -0.8308      0.00000
      9       0.1762      0.00000
     10       0.0203      0.00000
     11      -0.0414      0.00000
     12       0.0060      0.00000
     13       0.6907      0.00000
     14       0.5040      0.00000
     15      -0.0055      0.00000
     16       0.2189      0.00000
     17      -0.1252      0.00000
     18       0.1522      0.00000
     19       0.3929      0.00000
     20       0.1968      0.00000
     21      -1.4500      0.00000
     22      -0.3961      0.00000
     23       1.3490      0.00000
     24      -0.3929      0.00000
     25      -0.7421      0.00000
     26       1.1565      0.00000
     27      -0.3231      0.00000
     28      -0.8921      0.00000
     29       0.0670      0.00000
     30       1.0748      0.00000
     31      -1.1509      0.00000
     32      -0.3879      0.00000
     33       1.1801      0.00000
     34      -0.2129      0.00000
     35      -0.0299      0.00000
     36      -1.1449      0.00000
     37       2.4805      0.00000
     38      -0.8144      0.00000
     39      -1.4345      0.00000
     40      -0.2276      0.00000

 k-point  47 :       0.2727    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0243      0.00000
      2       0.0043      0.00000
      3      -0.2164      0.00000
      4       0.1069      0.00000
      5       0.0081      0.00000
      6       0.3615      0.00000
      7      -0.6767      0.00000
      8      -0.2417      0.00000
      9       0.1552      0.00000
     10      -0.0151      0.00000
     11      -0.0699      0.00000
     12       0.0498      0.00000
     13       0.6458      0.00000
     14       0.0709      0.00000
     15       0.0454      0.00000
     16       0.0519      0.00000
     17       0.1874      0.00000
     18      -0.3310      0.00000
     19       0.1891      0.00000
     20      -0.6209      0.00000
     21       0.5190      0.00000
     22      -0.3579      0.00000
     23       0.8721      0.00000
     24      -0.3843      0.00000
     25      -1.1598      0.00000
     26       0.0678      0.00000
     27       1.5099      0.00000
     28      -1.2988      0.00000
     29       0.3359      0.00000
     30       0.2380      0.00000
     31      -0.2799      0.00000
     32      -0.7519      0.00000
     33       0.5495      0.00000
     34       0.9087      0.00000
     35       0.3840      0.00000
     36      -0.5833      0.00000
     37      -0.2705      0.00000
     38       0.1942      0.00000
     39      -0.5442      0.00000
     40       0.3265      0.00000

 k-point  48 :       0.3636    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.1229      0.00000
      2       0.0977      0.00000
      3       0.2264      0.00000
      4      -0.1692      0.00000
      5      -0.2944      0.00000
      6       0.1717      0.00000
      7      -0.1601      0.00000
      8      -0.5375      0.00000
      9       0.2010      0.00000
     10       0.1049      0.00000
     11       0.0161      0.00000
     12       0.0564      0.00000
     13       0.1321      0.00000
     14       0.4916      0.00000
     15      -0.0580      0.00000
     16       0.0146      0.00000
     17      -0.4913      0.00000
     18       0.4900      0.00000
     19       0.5774      0.00000
     20      -0.8019      0.00000
     21      -0.6379      0.00000
     22       0.4917      0.00000
     23       1.3432      0.00000
     24      -1.1062      0.00000
     25      -0.9054      0.00000
     26       0.8665      0.00000
     27       0.2120      0.00000
     28      -0.4146      0.00000
     29       0.0054      0.00000
     30       0.1935      0.00000
     31      -0.6223      0.00000
     32      -0.4447      0.00000
     33       1.9471      0.00000
     34      -0.9220      0.00000
     35       1.9138      0.00000
     36      -2.1618      0.00000
     37       1.1310      0.00000
     38      -0.5854      0.00000
     39      -0.0012      0.00000
     40      -0.7691      0.00000

 k-point  49 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1       0.0002      0.00000
      2      -0.0001      0.00000
      3       0.0001      0.00000
      4      -0.0000      0.00000
      5      -0.8401      0.00000
      6      -0.0553      0.00000
      7       0.0553      0.00000
      8       0.8402      0.00000
      9      -0.0107      0.00000
     10      -0.0258      0.00000
     11       0.0259      0.00000
     12       0.0107      0.00000
     13       0.0000      0.00000
     14       0.0000      0.00000
     15      -0.8435      0.00000
     16      -0.2912      0.00000
     17       0.2912      0.00000
     18       0.8437      0.00000
     19       0.0000      0.00000
     20       0.0000      0.00000
     21       0.0000      0.00000
     22      -0.0000      0.00000
     23      -3.2125      0.00000
     24      -0.2057      0.00000
     25       0.2057      0.00000
     26       3.2125      0.00000
     27       0.0000      0.00000
     28       0.0000      0.00000
     29      -2.2418      0.00000
     30      -0.4833      0.00000
     31       0.4833      0.00000
     32       2.2418      0.00000
     33      -0.0000      0.00000
     34       0.0000      0.00000
     35      -1.8599      0.00000
     36      -1.1558      0.00000
     37       1.1558      0.00000
     38       1.8599      0.00000
     39      -0.0000      0.00000
     40       0.0000      0.00000

 k-point  50 :       0.0909    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0137      0.00000
      2       0.0063      0.00000
      3      -0.2146      0.00000
      4       0.3137      0.00000
      5      -0.8963      0.00000
      6      -0.2126      0.00000
      7       0.0504      0.00000
      8       0.8875      0.00000
      9      -0.0025      0.00000
     10       0.0290      0.00000
     11      -0.0281      0.00000
     12       0.0168      0.00000
     13      -0.0892      0.00000
     14       0.1507      0.00000
     15      -0.3367      0.00000
     16       0.8138      0.00000
     17      -0.7504      0.00000
     18       0.3055      0.00000
     19      -0.0124      0.00000
     20       0.0992      0.00000
     21      -0.1735      0.00000
     22      -0.0009      0.00000
     23      -2.5898      0.00000
     24       0.2886      0.00000
     25      -0.1989      0.00000
     26       3.0537      0.00000
     27      -1.1237      0.00000
     28       0.8669      0.00000
     29      -2.0310      0.00000
     30      -0.3997      0.00000
     31      -0.6356      0.00000
     32       1.5498      0.00000
     33      -0.7234      0.00000
     34       1.3041      0.00000
     35       1.0118      0.00000
     36       1.7298      0.00000
     37      -2.1444      0.00000
     38       1.2632      0.00000
     39      -1.0605      0.00000
     40      -0.1879      0.00000

 k-point  51 :       0.1818    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0372      0.00000
      2       0.0091      0.00000
      3      -0.3006      0.00000
      4       0.4694      0.00000
      5      -0.4001      0.00000
      6       0.9835      0.00000
      7      -1.0592      0.00000
      8       0.0380      0.00000
      9       0.0152      0.00000
     10       0.0407      0.00000
     11      -0.0330      0.00000
     12       0.0248      0.00000
     13      -0.1164      0.00000
     14       0.4378      0.00000
     15      -0.4825      0.00000
     16       0.6992      0.00000
     17      -0.5164      0.00000
     18       0.3644      0.00000
     19       0.0118      0.00000
     20       0.2940      0.00000
     21      -0.7450      0.00000
     22      -0.2660      0.00000
     23      -1.3676      0.00000
     24       0.6223      0.00000
     25      -0.1757      0.00000
     26       2.6152      0.00000
     27      -1.5503      0.00000
     28       0.2936      0.00000
     29      -1.5319      0.00000
     30      -0.2185      0.00000
     31      -1.9552      0.00000
     32      -0.8212      0.00000
     33       1.3231      0.00000
     34       2.8411      0.00000
     35       0.5887      0.00000
     36       1.4364      0.00000
     37      -1.4839      0.00000
     38       2.6739      0.00000
     39      -1.4464      0.00000
     40       0.2284      0.00000

 k-point  52 :       0.2727    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0672      0.00000
      2       0.0107      0.00000
      3      -0.3533      0.00000
      4       0.4631      0.00000
      5      -0.4871      0.00000
      6       1.1119      0.00000
      7      -1.2968      0.00000
      8       0.0220      0.00000
      9       0.0240      0.00000
     10       0.0565      0.00000
     11      -0.0526      0.00000
     12       0.0427      0.00000
     13      -0.0941      0.00000
     14       0.8176      0.00000
     15      -0.7203      0.00000
     16       0.5569      0.00000
     17      -0.2668      0.00000
     18       0.5201      0.00000
     19       0.0587      0.00000
     20       0.5914      0.00000
     21      -1.4666      0.00000
     22      -0.5845      0.00000
     23      -0.3978      0.00000
     24       1.1886      0.00000
     25      -0.1331      0.00000
     26       2.0336      0.00000
     27      -2.2026      0.00000
     28      -0.3315      0.00000
     29      -0.9720      0.00000
     30       0.0060      0.00000
     31      -0.6651      0.00000
     32       0.3810      0.00000
     33      -0.2507      0.00000
     34       1.8684      0.00000
     35      -0.1834      0.00000
     36       1.0503      0.00000
     37      -0.9819      0.00000
     38       2.9034      0.00000
     39      -0.4440      0.00000
     40       0.6592      0.00000

 k-point  53 :       0.3636    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.0959      0.00000
      2       0.0117      0.00000
      3      -0.3926      0.00000
      4       0.3705      0.00000
      5      -1.5241      0.00000
      6       0.0064      0.00000
      7      -0.4916      0.00000
      8       1.2226      0.00000
      9       0.0185      0.00000
     10       0.0386      0.00000
     11      -0.0755      0.00000
     12       0.0910      0.00000
     13      -0.0946      0.00000
     14       1.0144      0.00000
     15      -0.9489      0.00000
     16       0.5948      0.00000
     17      -0.1216      0.00000
     18       0.7895      0.00000
     19       0.1154      0.00000
     20       1.0086      0.00000
     21      -1.6989      0.00000
     22      -0.9366      0.00000
     23      -0.1298      0.00000
     24       1.5547      0.00000
     25      -0.0789      0.00000
     26       1.5178      0.00000
     27      -2.6948      0.00000
     28      -0.6467      0.00000
     29      -0.0027      0.00000
     30       1.1093      0.00000
     31      -0.5583      0.00000
     32       0.3572      0.00000
     33      -1.7795      0.00000
     34       1.6004      0.00000
     35      -1.2405      0.00000
     36       0.5626      0.00000
     37       0.2281      0.00000
     38       1.8069      0.00000
     39       0.1976      0.00000
     40       1.2843      0.00000

 k-point  54 :       0.4545    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.1137      0.00000
      2       0.0123      0.00000
      3      -0.4145      0.00000
      4       0.2807      0.00000
      5      -1.6479      0.00000
      6      -0.0034      0.00000
      7      -0.4292      0.00000
      8       1.2167      0.00000
      9      -0.0178      0.00000
     10       0.0118      0.00000
     11       0.0380      0.00000
     12       0.0559      0.00000
     13      -0.1106      0.00000
     14       1.0746      0.00000
     15      -0.0695      0.00000
     16       1.0171      0.00000
     17      -1.0884      0.00000
     18       0.6684      0.00000
     19       0.1492      0.00000
     20       1.3981      0.00000
     21      -1.7344      0.00000
     22      -1.2592      0.00000
     23      -0.1194      0.00000
     24       1.5990      0.00000
     25      -0.0370      0.00000
     26       1.2257      0.00000
     27      -2.8870      0.00000
     28      -0.7158      0.00000
     29       0.1579      0.00000
     30       1.4407      0.00000
     31      -0.3549      0.00000
     32       0.8603      0.00000
     33      -1.9467      0.00000
     34       1.4490      0.00000
     35      -2.1555      0.00000
     36       0.1638      0.00000
     37       0.5724      0.00000
     38       1.1941      0.00000
     39       1.0764      0.00000
     40       2.1096      0.00000

 k-point  55 :       0.0909    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0195      0.00000
      2       0.0094      0.00000
      3      -0.1864      0.00000
      4       0.2802      0.00000
      5      -0.2965      0.00000
      6       0.1656      0.00000
      7      -0.3320      0.00000
      8       0.2607      0.00000
      9      -0.0173      0.00000
     10       0.0283      0.00000
     11      -0.0231      0.00000
     12       0.0367      0.00000
     13      -0.1059      0.00000
     14       0.2321      0.00000
     15      -0.2341      0.00000
     16       0.4670      0.00000
     17      -0.3687      0.00000
     18       0.1528      0.00000
     19      -0.0283      0.00000
     20       0.1085      0.00000
     21      -0.2258      0.00000
     22      -0.0154      0.00000
     23      -0.9138      0.00000
     24       0.7473      0.00000
     25      -0.4635      0.00000
     26       0.9415      0.00000
     27      -0.6249      0.00000
     28       0.8156      0.00000
     29      -0.9640      0.00000
     30      -0.2723      0.00000
     31      -0.3891      0.00000
     32       0.6999      0.00000
     33      -1.3888      0.00000
     34       0.0311      0.00000
     35       1.4478      0.00000
     36       2.3857      0.00000
     37      -2.2152      0.00000
     38       1.3614      0.00000
     39      -0.9589      0.00000
     40      -0.1385      0.00000

 k-point  56 :       0.1818    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0452      0.00000
      2       0.0108      0.00000
      3      -0.2514      0.00000
      4       0.3832      0.00000
      5      -0.4064      0.00000
      6       0.2138      0.00000
      7      -0.4290      0.00000
      8       0.1298      0.00000
      9       0.0132      0.00000
     10       0.0258      0.00000
     11      -0.0320      0.00000
     12       0.0583      0.00000
     13      -0.0776      0.00000
     14       0.5912      0.00000
     15      -0.4901      0.00000
     16       0.5250      0.00000
     17      -0.3873      0.00000
     18       0.3419      0.00000
     19      -0.0190      0.00000
     20       0.3320      0.00000
     21      -0.8797      0.00000
     22      -0.2542      0.00000
     23      -0.5839      0.00000
     24       1.2592      0.00000
     25      -0.5775      0.00000
     26       1.0881      0.00000
     27      -1.2663      0.00000
     28       0.2328      0.00000
     29      -0.4583      0.00000
     30       0.1706      0.00000
     31      -1.7575      0.00000
     32      -0.7772      0.00000
     33       0.8043      0.00000
     34       1.6071      0.00000
     35       0.4682      0.00000
     36       1.5636      0.00000
     37      -1.5689      0.00000
     38       2.6774      0.00000
     39      -0.7386      0.00000
     40       0.5493      0.00000

 k-point  57 :       0.2727    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0740      0.00000
      2       0.0117      0.00000
      3      -0.3175      0.00000
      4       0.3667      0.00000
      5      -0.4128      0.00000
      6       0.0869      0.00000
      7      -0.3961      0.00000
      8       0.0239      0.00000
      9       0.0194      0.00000
     10       0.0224      0.00000
     11      -0.0561      0.00000
     12       0.0999      0.00000
     13      -0.0708      0.00000
     14       0.9235      0.00000
     15      -0.3453      0.00000
     16       0.1842      0.00000
     17      -0.1675      0.00000
     18       0.4055      0.00000
     19       0.0289      0.00000
     20       0.6803      0.00000
     21      -1.3639      0.00000
     22      -0.5558      0.00000
     23      -0.1634      0.00000
     24       1.4432      0.00000
     25      -0.3426      0.00000
     26       0.8336      0.00000
     27      -1.9061      0.00000
     28      -0.1871      0.00000
     29      -0.0335      0.00000
     30       0.5717      0.00000
     31      -0.8916      0.00000
     32       0.0791      0.00000
     33      -0.0586      0.00000
     34       1.3641      0.00000
     35      -0.9373      0.00000
     36       0.9612      0.00000
     37      -0.1974      0.00000
     38       1.9016      0.00000
     39      -0.3468      0.00000
     40       0.8330      0.00000

 k-point  58 :       0.3636    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0971      0.00000
      2       0.0123      0.00000
      3      -0.3658      0.00000
      4       0.2891      0.00000
      5      -0.7368      0.00000
      6      -0.0481      0.00000
      7      -0.4071      0.00000
      8       0.3635      0.00000
      9      -0.0077      0.00000
     10       0.0762      0.00000
     11      -0.0423      0.00000
     12       0.0784      0.00000
     13      -0.0818      0.00000
     14       1.0526      0.00000
     15      -0.1356      0.00000
     16       0.4467      0.00000
     17      -0.6457      0.00000
     18       0.6411      0.00000
     19       0.1135      0.00000
     20       1.1456      0.00000
     21      -1.5545      0.00000
     22      -0.9388      0.00000
     23      -0.0954      0.00000
     24       1.2730      0.00000
     25       0.0176      0.00000
     26       0.9277      0.00000
     27      -2.5159      0.00000
     28      -0.3687      0.00000
     29       0.2576      0.00000
     30       0.9128      0.00000
     31      -0.4384      0.00000
     32       0.3891      0.00000
     33      -1.1817      0.00000
     34       0.8192      0.00000
     35      -0.9436      0.00000
     36       0.7821      0.00000
     37       0.0300      0.00000
     38       0.6723      0.00000
     39       0.2577      0.00000
     40       1.5872      0.00000

 k-point  59 :       0.4545    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.1060      0.00000
      2       0.0125      0.00000
      3      -0.3832      0.00000
      4       0.2455      0.00000
      5      -0.9197      0.00000
      6      -0.0394      0.00000
      7      -0.3499      0.00000
      8       0.4056      0.00000
      9       0.0391      0.00000
     10       0.0655      0.00000
     11       0.0448      0.00000
     12      -0.0179      0.00000
     13      -0.1057      0.00000
     14       1.1067      0.00000
     15      -0.1183      0.00000
     16       0.6222      0.00000
     17      -0.7807      0.00000
     18       0.7008      0.00000
     19       0.1656      0.00000
     20       1.4202      0.00000
     21      -1.6242      0.00000
     22      -1.1616      0.00000
     23      -0.1151      0.00000
     24       1.1518      0.00000
     25       0.1548      0.00000
     26       1.0775      0.00000
     27      -2.7926      0.00000
     28      -0.4236      0.00000
     29       0.6285      0.00000
     30       1.3664      0.00000
     31      -0.7457      0.00000
     32       0.2796      0.00000
     33      -0.7140      0.00000
     34       1.0720      0.00000
     35      -1.6423      0.00000
     36      -0.0095      0.00000
     37       0.1890      0.00000
     38       0.6374      0.00000
     39       1.0319      0.00000
     40       2.0395      0.00000

 k-point  60 :       0.1818    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0405      0.00000
      2       0.0140      0.00000
      3      -0.1074      0.00000
      4       0.1732      0.00000
      5      -0.3257      0.00000
      6       0.2190      0.00000
      7      -0.4099      0.00000
      8       0.0576      0.00000
      9       0.0359      0.00000
     10      -0.0157      0.00000
     11      -0.0537      0.00000
     12       0.1358      0.00000
     13      -0.0098      0.00000
     14       0.6088      0.00000
     15      -0.1390      0.00000
     16       0.1422      0.00000
     17      -0.5931      0.00000
     18       0.4351      0.00000
     19      -0.1788      0.00000
     20       0.2132      0.00000
     21      -0.2775      0.00000
     22       0.1396      0.00000
     23      -0.3994      0.00000
     24       1.3273      0.00000
     25      -1.0450      0.00000
     26      -0.5929      0.00000
     27      -0.5734      0.00000
     28       0.9752      0.00000
     29      -0.3647      0.00000
     30       0.9597      0.00000
     31      -1.7904      0.00000
     32      -1.4044      0.00000
     33       1.3828      0.00000
     34       1.7478      0.00000
     35       0.0900      0.00000
     36       0.7251      0.00000
     37      -0.7028      0.00000
     38       1.4135      0.00000
     39      -1.1878      0.00000
     40      -0.5149      0.00000

 k-point  61 :       0.2727    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0629      0.00000
      2       0.0136      0.00000
      3      -0.2217      0.00000
      4       0.2267      0.00000
      5      -0.3114      0.00000
      6       0.1119      0.00000
      7      -0.4947      0.00000
      8       0.0028      0.00000
      9      -0.0314      0.00000
     10       0.0996      0.00000
     11      -0.0559      0.00000
     12       0.1285      0.00000
     13      -0.0293      0.00000
     14       0.9243      0.00000
     15      -0.2630      0.00000
     16       0.2269      0.00000
     17      -0.6627      0.00000
     18       0.6149      0.00000
     19      -0.1442      0.00000
     20       0.5937      0.00000
     21      -0.7266      0.00000
     22      -0.1190      0.00000
     23      -0.3812      0.00000
     24       1.0264      0.00000
     25      -0.6614      0.00000
     26      -0.0096      0.00000
     27      -1.2440      0.00000
     28       0.6479      0.00000
     29      -0.3549      0.00000
     30       1.0228      0.00000
     31      -1.1318      0.00000
     32      -0.4066      0.00000
     33       0.5658      0.00000
     34       0.9915      0.00000
     35      -0.3704      0.00000
     36       1.2988      0.00000
     37      -0.4800      0.00000
     38       0.0730      0.00000
     39      -0.3161      0.00000
     40       0.1835      0.00000

 k-point  62 :       0.3636    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0769      0.00000
      2       0.0135      0.00000
      3      -0.3089      0.00000
      4       0.2337      0.00000
      5      -0.3622      0.00000
      6       0.0330      0.00000
      7      -0.5221      0.00000
      8      -0.0334      0.00000
      9       0.0137      0.00000
     10       0.2204      0.00000
     11      -0.0420      0.00000
     12       0.0364      0.00000
     13      -0.0738      0.00000
     14       1.0599      0.00000
     15      -0.2328      0.00000
     16       0.3483      0.00000
     17      -0.7382      0.00000
     18       0.6946      0.00000
     19       0.0258      0.00000
     20       1.1382      0.00000
     21      -1.1372      0.00000
     22      -0.5689      0.00000
     23      -0.3861      0.00000
     24       0.7792      0.00000
     25      -0.4388      0.00000
     26       0.9861      0.00000
     27      -2.1223      0.00000
     28       0.4395      0.00000
     29      -0.5079      0.00000
     30       0.8995      0.00000
     31      -0.6355      0.00000
     32       0.3381      0.00000
     33       0.1798      0.00000
     34       1.0851      0.00000
     35      -0.6889      0.00000
     36       0.6845      0.00000
     37      -0.5775      0.00000
     38      -0.2780      0.00000
     39       0.4819      0.00000
     40       0.9142      0.00000

 k-point  63 :       0.2727    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0391      0.00000
      2       0.0182      0.00000
      3      -0.2177      0.00000
      4       0.2236      0.00000
      5      -0.1285      0.00000
      6       0.1050      0.00000
      7      -0.5947      0.00000
      8       0.0847      0.00000
      9      -0.0502      0.00000
     10       0.1897      0.00000
     11      -0.0641      0.00000
     12       0.1217      0.00000
     13      -0.0809      0.00000
     14       0.6996      0.00000
     15      -0.2285      0.00000
     16       0.0924      0.00000
     17      -0.6114      0.00000
     18       0.5623      0.00000
     19      -0.4872      0.00000
     20       0.2678      0.00000
     21       0.4047      0.00000
     22       0.8381      0.00000
     23      -0.9936      0.00000
     24       0.1410      0.00000
     25      -1.1534      0.00000
     26      -0.1639      0.00000
     27      -0.3239      0.00000
     28       1.4086      0.00000
     29      -0.6073      0.00000
     30       0.5961      0.00000
     31      -0.8969      0.00000
     32      -0.5806      0.00000
     33       0.6431      0.00000
     34       1.2659      0.00000
     35      -0.1978      0.00000
     36       0.5027      0.00000
     37      -0.5416      0.00000
     38      -0.0402      0.00000
     39      -0.1462      0.00000
     40       0.3507      0.00000

 k-point  64 :       0.3636    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0440      0.00000
      2       0.0174      0.00000
      3      -0.3027      0.00000
      4       0.2887      0.00000
      5      -0.2171      0.00000
      6       0.1202      0.00000
      7      -0.6561      0.00000
      8       0.0691      0.00000
      9       0.0224      0.00000
     10       0.3069      0.00000
     11      -0.0579      0.00000
     12       0.0175      0.00000
     13      -0.1990      0.00000
     14       0.8576      0.00000
     15      -0.1986      0.00000
     16       0.1058      0.00000
     17      -0.6267      0.00000
     18       0.5985      0.00000
     19      -0.3520      0.00000
     20       0.8212      0.00000
     21      -0.2119      0.00000
     22       0.4147      0.00000
     23      -0.7953      0.00000
     24       0.0763      0.00000
     25      -1.1497      0.00000
     26       0.8509      0.00000
     27      -1.3006      0.00000
     28       1.3407      0.00000
     29      -0.5445      0.00000
     30       0.4511      0.00000
     31      -0.5948      0.00000
     32      -0.2545      0.00000
     33       0.9730      0.00000
     34       1.4658      0.00000
     35      -0.6068      0.00000
     36      -0.3812      0.00000
     37      -0.7597      0.00000
     38      -0.1731      0.00000
     39       0.3026      0.00000
     40       0.7681      0.00000

 k-point  65 :      -0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.0044      0.00000
      2      -0.0012      0.00000
      3      -0.1703      0.00000
      4       0.2202      0.00000
      5       0.0729      0.00000
      6      -0.2547      0.00000
      7       0.2140      0.00000
      8      -0.0365      0.00000
      9       0.0181      0.00000
     10      -0.0156      0.00000
     11      -0.0160      0.00000
     12       0.0101      0.00000
     13      -0.0087      0.00000
     14      -0.2572      0.00000
     15       0.2490      0.00000
     16       0.0090      0.00000
     17      -0.0368      0.00000
     18      -0.0468      0.00000
     19      -0.0293      0.00000
     20       0.0269      0.00000
     21       0.0727      0.00000
     22      -0.0570      0.00000
     23       0.0676      0.00000
     24       1.1977      0.00000
     25       0.2734      0.00000
     26      -1.5546      0.00000
     27      -0.2676      0.00000
     28       0.1584      0.00000
     29      -0.0612      0.00000
     30       0.2092      0.00000
     31       0.2536      0.00000
     32      -0.2300      0.00000
     33       0.1045      0.00000
     34      -1.1390      0.00000
     35      -0.8006      0.00000
     36       2.0970      0.00000
     37       1.5970      0.00000
     38      -0.4138      0.00000
     39      -1.6783      0.00000
     40       1.1570      0.00000

 k-point  66 :      -0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.0178      0.00000
      2      -0.0063      0.00000
      3      -0.1418      0.00000
      4       0.2677      0.00000
      5       0.2248      0.00000
      6      -0.3583      0.00000
      7       0.2551      0.00000
      8      -0.0631      0.00000
      9       0.0233      0.00000
     10      -0.0285      0.00000
     11      -0.0173      0.00000
     12       0.0017      0.00000
     13      -0.0319      0.00000
     14      -0.1360      0.00000
     15      -0.1512      0.00000
     16       0.1405      0.00000
     17      -0.1275      0.00000
     18      -0.0812      0.00000
     19      -0.0417      0.00000
     20       0.0898      0.00000
     21       0.3186      0.00000
     22       0.0074      0.00000
     23       0.6745      0.00000
     24      -0.0150      0.00000
     25       0.3137      0.00000
     26      -1.1126      0.00000
     27      -0.3557      0.00000
     28      -0.1910      0.00000
     29       0.1079      0.00000
     30       0.3907      0.00000
     31      -0.3879      0.00000
     32      -0.0440      0.00000
     33      -0.1618      0.00000
     34      -0.7127      0.00000
     35       2.0252      0.00000
     36      -0.0371      0.00000
     37       1.0547      0.00000
     38       2.0399      0.00000
     39      -1.4860      0.00000
     40      -0.3267      0.00000

 k-point  67 :       0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1      -0.0040      0.00000
      2       0.0016      0.00000
      3      -0.0146      0.00000
      4       0.2401      0.00000
      5       0.0826      0.00000
      6      -0.4703      0.00000
      7       0.1796      0.00000
      8      -0.1241      0.00000
      9       0.0164      0.00000
     10      -0.0447      0.00000
     11      -0.0004      0.00000
     12       0.0565      0.00000
     13       0.0264      0.00000
     14       0.2196      0.00000
     15      -0.0852      0.00000
     16       0.0061      0.00000
     17      -0.0174      0.00000
     18      -0.0632      0.00000
     19       0.0550      0.00000
     20      -0.0544      0.00000
     21       0.1177      0.00000
     22       0.2717      0.00000
     23      -1.3444      0.00000
     24      -0.2198      0.00000
     25       0.7279      0.00000
     26       0.6035      0.00000
     27      -0.1741      0.00000
     28       0.8813      0.00000
     29      -0.6418      0.00000
     30      -0.2163      0.00000
     31      -0.8617      0.00000
     32      -0.7436      0.00000
     33       0.2276      0.00000
     34       0.8834      0.00000
     35       1.4392      0.00000
     36       0.1756      0.00000
     37      -1.1954      0.00000
     38      -0.2349      0.00000
     39      -0.8656      0.00000
     40       2.0281      0.00000

 k-point  68 :      -0.0909    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.0248      0.00000
      2      -0.0082      0.00000
      3      -0.3503      0.00000
      4       0.4311      0.00000
      5       0.2504      0.00000
      6      -0.1776      0.00000
      7       0.1619      0.00000
      8      -0.0271      0.00000
      9      -0.0039      0.00000
     10       0.0094      0.00000
     11      -0.0259      0.00000
     12      -0.0149      0.00000
     13      -0.0589      0.00000
     14      -0.7640      0.00000
     15       0.4791      0.00000
     16       0.0572      0.00000
     17      -0.1876      0.00000
     18      -0.0532      0.00000
     19      -0.1270      0.00000
     20       0.1424      0.00000
     21       0.3671      0.00000
     22      -0.4934      0.00000
     23       3.8228      0.00000
     24      -1.4813      0.00000
     25      -1.4794      0.00000
     26       0.1622      0.00000
     27      -1.3619      0.00000
     28      -0.8925      0.00000
     29       0.3031      0.00000
     30       2.1760      0.00000
     31       0.1758      0.00000
     32      -0.5012      0.00000
     33      -0.9913      0.00000
     34      -1.7648      0.00000
     35       2.7642      0.00000
     36      -0.3882      0.00000
     37       2.8412      0.00000
     38       3.7686      0.00000
     39      -1.6277      0.00000
     40      -1.7259      0.00000

 k-point  69 :      -0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0423      0.00000
      2      -0.0195      0.00000
      3      -0.1167      0.00000
      4       0.1845      0.00000
      5       0.3218      0.00000
      6      -0.2645      0.00000
      7       0.3289      0.00000
      8       0.0013      0.00000
      9      -0.0244      0.00000
     10      -0.0322      0.00000
     11      -0.0218      0.00000
     12      -0.0989      0.00000
     13      -0.0119      0.00000
     14      -0.0714      0.00000
     15      -0.2392      0.00000
     16       0.0000      0.00000
     17      -0.2651      0.00000
     18      -0.1434      0.00000
     19      -0.0165      0.00000
     20       0.2062      0.00000
     21       0.7052      0.00000
     22       0.1661      0.00000
     23      -0.2109      0.00000
     24       0.2059      0.00000
     25      -0.0332      0.00000
     26      -0.7031      0.00000
     27       0.0104      0.00000
     28      -0.4823      0.00000
     29      -0.0948      0.00000
     30      -0.2916      0.00000
     31       0.3734      0.00000
     32      -0.2349      0.00000
     33       0.5713      0.00000
     34      -0.1880      0.00000
     35       1.8986      0.00000
     36       1.3823      0.00000
     37       1.2568      0.00000
     38      -1.1064      0.00000
     39       0.2578      0.00000
     40      -1.9538      0.00000

 k-point  70 :       0.0909    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0217      0.00000
      2      -0.0121      0.00000
      3      -0.1236      0.00000
      4       0.4371      0.00000
      5       0.1039      0.00000
      6      -0.4825      0.00000
      7       0.3311      0.00000
      8      -0.0474      0.00000
      9      -0.1233      0.00000
     10      -0.1225      0.00000
     11      -0.0065      0.00000
     12       0.0670      0.00000
     13      -0.0061      0.00000
     14       0.1411      0.00000
     15       0.0192      0.00000
     16      -0.0422      0.00000
     17      -0.3033      0.00000
     18      -0.0758      0.00000
     19       0.0613      0.00000
     20       0.0626      0.00000
     21       0.6002      0.00000
     22       0.3300      0.00000
     23      -1.2435      0.00000
     24      -1.1293      0.00000
     25       0.8852      0.00000
     26       1.2020      0.00000
     27      -0.3938      0.00000
     28       0.8042      0.00000
     29      -0.6604      0.00000
     30      -1.2288      0.00000
     31      -0.3493      0.00000
     32      -0.3837      0.00000
     33       0.4555      0.00000
     34       0.5525      0.00000
     35       2.7224      0.00000
     36       0.8132      0.00000
     37      -0.3324      0.00000
     38      -1.5693      0.00000
     39      -0.0939      0.00000
     40       0.0639      0.00000

 k-point  71 :       0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1      -0.0134      0.00000
      2       0.0083      0.00000
      3      -0.2719      0.00000
      4       0.5290      0.00000
      5       0.0151      0.00000
      6      -0.4096      0.00000
      7       0.0916      0.00000
      8      -0.0088      0.00000
      9      -0.1980      0.00000
     10      -0.1656      0.00000
     11       0.0174      0.00000
     12       0.1027      0.00000
     13       0.1855      0.00000
     14      -0.0325      0.00000
     15       0.2787      0.00000
     16       0.1286      0.00000
     17      -0.3521      0.00000
     18       0.1390      0.00000
     19       0.0545      0.00000
     20      -0.1696      0.00000
     21       0.2469      0.00000
     22       0.2719      0.00000
     23      -1.1531      0.00000
     24      -1.4552      0.00000
     25       1.3614      0.00000
     26       1.8402      0.00000
     27      -0.8999      0.00000
     28       0.9563      0.00000
     29      -1.8007      0.00000
     30       0.0912      0.00000
     31      -0.5745      0.00000
     32      -0.1657      0.00000
     33      -0.3068      0.00000
     34       1.7397      0.00000
     35      -0.1398      0.00000
     36       0.8990      0.00000
     37      -0.1089      0.00000
     38      -0.6701      0.00000
     39       0.5121      0.00000
     40       0.2121      0.00000

 k-point  72 :      -0.1818    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0520      0.00000
      2      -0.0215      0.00000
      3      -0.2363      0.00000
      4       0.0320      0.00000
      5       0.4509      0.00000
      6       0.1628      0.00000
      7       0.1043      0.00000
      8       0.1287      0.00000
      9      -0.0076      0.00000
     10       0.0089      0.00000
     11      -0.0265      0.00000
     12      -0.1949      0.00000
     13      -0.0288      0.00000
     14      -0.4811      0.00000
     15      -0.0487      0.00000
     16      -0.0707      0.00000
     17      -0.2943      0.00000
     18      -0.0343      0.00000
     19      -0.1282      0.00000
     20       0.3045      0.00000
     21       0.6664      0.00000
     22      -0.3772      0.00000
     23       2.6318      0.00000
     24      -0.6951      0.00000
     25      -0.8476      0.00000
     26      -0.8388      0.00000
     27      -0.2346      0.00000
     28      -2.0513      0.00000
     29       1.0520      0.00000
     30      -0.3792      0.00000
     31       1.1053      0.00000
     32       1.8476      0.00000
     33      -1.0974      0.00000
     34      -0.5835      0.00000
     35       0.2839      0.00000
     36       2.2742      0.00000
     37       0.8300      0.00000
     38       0.1171      0.00000
     39       0.1266      0.00000
     40      -0.8849      0.00000

 k-point  73 :      -0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0826      0.00000
      2      -0.0490      0.00000
      3      -0.0944      0.00000
      4       0.2306      0.00000
      5       0.3562      0.00000
      6      -0.2450      0.00000
      7       0.4261      0.00000
      8       0.0997      0.00000
      9      -0.0539      0.00000
     10      -0.0118      0.00000
     11      -0.0271      0.00000
     12      -0.1092      0.00000
     13      -0.3215      0.00000
     14       0.0707      0.00000
     15      -0.1642      0.00000
     16      -0.1458      0.00000
     17      -0.4529      0.00000
     18      -0.2146      0.00000
     19       0.0519      0.00000
     20       0.4447      0.00000
     21       0.6013      0.00000
     22       0.7595      0.00000
     23      -1.2544      0.00000
     24       0.3386      0.00000
     25      -0.0689      0.00000
     26      -0.4711      0.00000
     27       0.2265      0.00000
     28      -0.5106      0.00000
     29      -0.5582      0.00000
     30      -0.0677      0.00000
     31       1.0472      0.00000
     32       0.2356      0.00000
     33       0.9494      0.00000
     34       1.1577      0.00000
     35       0.0274      0.00000
     36      -0.2848      0.00000
     37       0.3933      0.00000
     38      -0.2035      0.00000
     39       0.4615      0.00000
     40      -0.5059      0.00000

 k-point  74 :       0.0909    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0766      0.00000
      2      -0.0522      0.00000
      3      -0.1668      0.00000
      4       0.4502      0.00000
      5       0.2662      0.00000
      6      -0.4228      0.00000
      7       0.2561      0.00000
      8       0.2280      0.00000
      9      -0.0222      0.00000
     10      -0.2342      0.00000
     11      -0.0078      0.00000
     12       0.0593      0.00000
     13      -0.2783      0.00000
     14      -0.0605      0.00000
     15       0.2544      0.00000
     16      -0.0915      0.00000
     17      -0.5706      0.00000
     18      -0.1534      0.00000
     19       0.0991      0.00000
     20       0.5347      0.00000
     21       0.3570      0.00000
     22       0.6928      0.00000
     23      -1.5580      0.00000
     24      -0.8485      0.00000
     25       0.4790      0.00000
     26       1.0467      0.00000
     27      -0.1717      0.00000
     28       0.3378      0.00000
     29       0.2382      0.00000
     30      -2.0638      0.00000
     31       0.6575      0.00000
     32       0.5644      0.00000
     33       0.3792      0.00000
     34       0.9753      0.00000
     35       0.1208      0.00000
     36       0.2494      0.00000
     37       1.2435      0.00000
     38      -0.4790      0.00000
     39      -0.9082      0.00000
     40      -0.9890      0.00000

 k-point  75 :       0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0745      0.00000
      2      -0.0587      0.00000
      3      -0.1842      0.00000
      4       0.5160      0.00000
      5       0.1415      0.00000
      6      -0.2384      0.00000
      7      -0.0153      0.00000
      8       0.2962      0.00000
      9       0.0362      0.00000
     10      -0.2539      0.00000
     11      -0.0033      0.00000
     12      -0.0318      0.00000
     13      -0.1284      0.00000
     14      -0.2775      0.00000
     15       0.1115      0.00000
     16       0.3358      0.00000
     17      -0.5548      0.00000
     18      -0.0483      0.00000
     19       0.0222      0.00000
     20       0.5074      0.00000
     21       0.4273      0.00000
     22       0.1420      0.00000
     23      -1.4886      0.00000
     24       0.7684      0.00000
     25      -1.1257      0.00000
     26       1.5018      0.00000
     27      -0.4373      0.00000
     28       0.6122      0.00000
     29      -1.9676      0.00000
     30       0.1957      0.00000
     31       0.3820      0.00000
     32       0.5871      0.00000
     33       1.8869      0.00000
     34      -1.1920      0.00000
     35       0.3852      0.00000
     36       0.6312      0.00000
     37       0.0653      0.00000
     38      -0.5387      0.00000
     39       0.7638      0.00000
     40      -1.5181      0.00000

 k-point  76 :       0.2727   -0.6364    0.0000
  band No.  band energies     occupation 
      1       0.1152      0.00000
      2      -0.1046      0.00000
      3      -0.0609      0.00000
      4       0.1759      0.00000
      5      -0.0274      0.00000
      6       0.0456      0.00000
      7       0.0030      0.00000
      8       0.4423      0.00000
      9      -0.0429      0.00000
     10       0.1236      0.00000
     11      -0.2327      0.00000
     12      -0.1865      0.00000
     13      -0.0057      0.00000
     14       0.0341      0.00000
     15      -0.3581      0.00000
     16       0.3987      0.00000
     17      -0.5280      0.00000
     18       0.0437      0.00000
     19      -0.2234      0.00000
     20       0.6659      0.00000
     21       0.4406      0.00000
     22      -0.3337      0.00000
     23      -1.4557      0.00000
     24       0.9862      0.00000
     25       0.7818      0.00000
     26      -0.5116      0.00000
     27      -0.2109      0.00000
     28      -0.9679      0.00000
     29      -0.1809      0.00000
     30       0.9813      0.00000
     31       0.3575      0.00000
     32       0.2164      0.00000
     33      -0.1318      0.00000
     34      -0.2556      0.00000
     35       1.3007      0.00000
     36      -0.7156      0.00000
     37       0.0632      0.00000
     38       0.1507      0.00000
     39       1.8389      0.00000
     40      -2.5969      0.00000

 k-point  77 :      -0.2727    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0867      0.00000
      2      -0.0464      0.00000
      3      -0.1152      0.00000
      4      -0.1299      0.00000
      5       0.5527      0.00000
      6       0.2543      0.00000
      7       0.1531      0.00000
      8       0.2539      0.00000
      9       0.0015      0.00000
     10       0.1048      0.00000
     11      -0.0338      0.00000
     12      -0.3061      0.00000
     13      -0.2430      0.00000
     14      -0.1629      0.00000
     15      -0.4335      0.00000
     16      -0.1649      0.00000
     17      -0.3010      0.00000
     18      -0.1491      0.00000
     19      -0.0657      0.00000
     20       0.7381      0.00000
     21       0.5168      0.00000
     22       0.2152      0.00000
     23       0.3127      0.00000
     24       0.9513      0.00000
     25      -0.8429      0.00000
     26      -1.6880      0.00000
     27       0.5197      0.00000
     28      -2.4445      0.00000
     29       0.9627      0.00000
     30       0.3933      0.00000
     31       1.2531      0.00000
     32       3.1289      0.00000
     33      -0.3948      0.00000
     34       0.9193      0.00000
     35      -0.7960      0.00000
     36      -1.4499      0.00000
     37      -0.2276      0.00000
     38       0.1846      0.00000
     39      -1.0921      0.00000
     40       0.7094      0.00000

 k-point  78 :      -0.1818    0.3636    0.0000
  band No.  band energies     occupation 
      1       0.0881      0.00000
      2      -0.0453      0.00000
      3      -0.2257      0.00000
      4      -0.0270      0.00000
      5       0.3705      0.00000
      6       0.5313      0.00000
      7       0.0578      0.00000
      8       0.3827      0.00000
      9       0.0089      0.00000
     10       0.1022      0.00000
     11      -0.0361      0.00000
     12      -0.3545      0.00000
     13      -0.2284      0.00000
     14      -0.8902      0.00000
     15       0.3181      0.00000
     16      -0.4455      0.00000
     17       0.1402      0.00000
     18      -0.4302      0.00000
     19      -0.1248      0.00000
     20       0.8265      0.00000
     21       0.6345      0.00000
     22      -0.7086      0.00000
     23       2.7991      0.00000
     24       0.6852      0.00000
     25      -2.3164      0.00000
     26      -2.6212      0.00000
     27       1.2960      0.00000
     28      -2.2458      0.00000
     29       0.3780      0.00000
     30       1.2631      0.00000
     31      -0.1643      0.00000
     32       3.8414      0.00000
     33       1.9525      0.00000
     34      -2.7368      0.00000
     35       0.7889      0.00000
     36      -2.3753      0.00000
     37       0.4186      0.00000
     38       1.4831      0.00000
     39      -2.5947      0.00000
     40       0.8843      0.00000

 k-point  79 :      -0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.1413      0.00000
      2      -0.1011      0.00000
      3      -0.1052      0.00000
      4       0.3430      0.00000
      5       0.3679      0.00000
      6      -0.2485      0.00000
      7       0.0008      0.00000
      8       0.4998      0.00000
      9       0.0228      0.00000
     10       0.0219      0.00000
     11      -0.0295      0.00000
     12      -0.0417      0.00000
     13      -0.3887      0.00000
     14      -0.3859      0.00000
     15       0.3450      0.00000
     16      -0.2529      0.00000
     17      -0.6606      0.00000
     18      -0.2637      0.00000
     19       0.1913      0.00000
     20      -0.1175      0.00000
     21       1.4914      0.00000
     22       0.6606      0.00000
     23      -1.6351      0.00000
     24       0.2918      0.00000
     25      -0.0961      0.00000
     26      -0.3667      0.00000
     27       0.2887      0.00000
     28      -1.1205      0.00000
     29       0.6060      0.00000
     30      -0.5353      0.00000
     31       1.4382      0.00000
     32       0.0599      0.00000
     33       0.5279      0.00000
     34      -0.4164      0.00000
     35       0.2301      0.00000
     36       1.5999      0.00000
     37       0.7014      0.00000
     38      -0.9841      0.00000
     39       0.1173      0.00000
     40       0.3196      0.00000

 k-point  80 :       0.0909   -0.5455    0.0000
  band No.  band energies     occupation 
      1       0.1516      0.00000
      2      -0.1146      0.00000
      3      -0.1287      0.00000
      4       0.3601      0.00000
      5       0.3704      0.00000
      6      -0.1392      0.00000
      7       0.0136      0.00000
      8       0.3625      0.00000
      9       0.0240      0.00000
     10       0.0363      0.00000
     11      -0.0319      0.00000
     12      -0.0992      0.00000
     13      -0.1721      0.00000
     14      -0.6509      0.00000
     15       0.3339      0.00000
     16      -0.0840      0.00000
     17      -0.6825      0.00000
     18      -0.2035      0.00000
     19       0.1789      0.00000
     20      -0.1095      0.00000
     21       1.4919      0.00000
     22       0.4711      0.00000
     23      -1.6314      0.00000
     24       0.3705      0.00000
     25       0.0588      0.00000
     26      -0.3657      0.00000
     27       0.1834      0.00000
     28      -1.1962      0.00000
     29       0.5592      0.00000
     30      -0.4289      0.00000
     31       1.2703      0.00000
     32       1.2720      0.00000
     33      -0.6901      0.00000
     34      -0.2926      0.00000
     35       2.0754      0.00000
     36       0.1880      0.00000
     37       0.0447      0.00000
     38      -0.6229      0.00000
     39      -1.5334      0.00000
     40       0.1611      0.00000

 k-point  81 :       0.1818   -0.5455    0.0000
  band No.  band energies     occupation 
      1       0.1582      0.00000
      2      -0.1237      0.00000
      3      -0.1107      0.00000
      4       0.1357      0.00000
      5       0.3610      0.00000
      6       0.1818      0.00000
      7       0.0429      0.00000
      8       0.3791      0.00000
      9      -0.0489      0.00000
     10       0.3236      0.00000
     11      -0.1073      0.00000
     12      -0.2804      0.00000
     13      -0.3851      0.00000
     14      -0.3151      0.00000
     15      -0.2949      0.00000
     16       0.0761      0.00000
     17      -0.3709      0.00000
     18      -0.1704      0.00000
     19      -0.0158      0.00000
     20       0.7677      0.00000
     21       0.6860      0.00000
     22       0.1566      0.00000
     23      -1.5401      0.00000
     24       0.1925      0.00000
     25       1.8263      0.00000
     26      -1.9370      0.00000
     27       0.3263      0.00000
     28      -2.4012      0.00000
     29       1.2099      0.00000
     30       0.3454      0.00000
     31       1.1929      0.00000
     32       1.2619      0.00000
     33      -0.7322      0.00000
     34       0.0611      0.00000
     35      -0.1458      0.00000
     36       1.5236      0.00000
     37      -0.4619      0.00000
     38       2.2538      0.00000
     39      -4.2024      0.00000
     40       0.4452      0.00000

 k-point  82 :       0.2727   -0.5455    0.0000
  band No.  band energies     occupation 
      1       0.1599      0.00000
      2      -0.1264      0.00000
      3      -0.0904      0.00000
      4      -0.0296      0.00000
      5       0.4067      0.00000
      6       0.2026      0.00000
      7       0.1221      0.00000
      8       0.7699      0.00000
      9       0.0815      0.00000
     10       0.1469      0.00000
     11      -0.1295      0.00000
     12      -0.6031      0.00000
     13      -0.4878      0.00000
     14       0.2484      0.00000
     15      -0.8830      0.00000
     16      -0.0181      0.00000
     17       0.3702      0.00000
     18      -0.6448      0.00000
     19      -0.1058      0.00000
     20       1.5177      0.00000
     21       0.7000      0.00000
     22      -0.8271      0.00000
     23      -3.2596      0.00000
     24       1.9834      0.00000
     25       1.9589      0.00000
     26      -3.5167      0.00000
     27       1.9296      0.00000
     28      -2.3217      0.00000
     29       0.9127      0.00000
     30       1.4255      0.00000
     31       0.7342      0.00000
     32       1.0049      0.00000
     33       0.6915      0.00000
     34      -1.1287      0.00000
     35      -1.0622      0.00000
     36       3.4427      0.00000
     37      -2.1651      0.00000
     38       3.1192      0.00000
     39      -5.4146      0.00000
     40       0.7497      0.00000

 k-point  83 :      -0.3636    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.1316      0.00000
      2      -0.0886      0.00000
      3      -0.0690      0.00000
      4       0.0635      0.00000
      5       0.4568      0.00000
      6       0.1840      0.00000
      7       0.0227      0.00000
      8       0.3451      0.00000
      9      -0.0142      0.00000
     10       0.2460      0.00000
     11      -0.0437      0.00000
     12      -0.0628      0.00000
     13      -0.7463      0.00000
     14      -0.0420      0.00000
     15      -0.1783      0.00000
     16      -0.2858      0.00000
     17      -0.4489      0.00000
     18      -0.2004      0.00000
     19       0.0451      0.00000
     20       0.3493      0.00000
     21       0.8776      0.00000
     22       0.7612      0.00000
     23      -1.3697      0.00000
     24       1.4955      0.00000
     25      -0.3631      0.00000
     26      -1.6639      0.00000
     27       0.4909      0.00000
     28      -2.3826      0.00000
     29       0.6118      0.00000
     30       1.0487      0.00000
     31       1.5236      0.00000
     32       0.7234      0.00000
     33       0.2771      0.00000
     34      -0.4363      0.00000
     35       0.8598      0.00000
     36      -0.0543      0.00000
     37       0.4569      0.00000
     38       1.2722      0.00000
     39      -2.8912      0.00000
     40      -1.1689      0.00000

 k-point  84 :      -0.2727    0.4545    0.0000
  band No.  band energies     occupation 
      1       0.1259      0.00000
      2      -0.0814      0.00000
      3      -0.0895      0.00000
      4      -0.1343      0.00000
      5       0.4229      0.00000
      6       0.5005      0.00000
      7       0.0752      0.00000
      8       0.4546      0.00000
      9       0.0825      0.00000
     10       0.2145      0.00000
     11      -0.0550      0.00000
     12      -0.1937      0.00000
     13      -0.8536      0.00000
     14       0.1500      0.00000
     15      -0.4202      0.00000
     16      -0.5758      0.00000
     17       0.1406      0.00000
     18      -0.4582      0.00000
     19      -0.0714      0.00000
     20       1.4434      0.00000
     21      -0.4029      0.00000
     22       0.4259      0.00000
     23       0.0063      0.00000
     24       1.4617      0.00000
     25      -0.8789      0.00000
     26      -2.3760      0.00000
     27       0.8860      0.00000
     28      -2.3687      0.00000
     29       0.9320      0.00000
     30       0.6416      0.00000
     31       1.3094      0.00000
     32       2.2604      0.00000
     33       1.5126      0.00000
     34      -1.1484      0.00000
     35       0.2688      0.00000
     36      -2.3577      0.00000
     37       0.6716      0.00000
     38       2.0112      0.00000
     39      -3.5666      0.00000
     40      -1.0882      0.00000

 k-point  85 :      -0.4545   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.2599      0.00000
      2       0.1748      0.00000
      3       0.3244      0.00000
      4      -0.7771      0.00000
      5      -0.7299      0.00000
      6       0.1724      0.00000
      7       0.5624      0.00000
      8      -0.9936      0.00000
      9       0.0561      0.00000
     10      -0.0354      0.00000
     11       0.0507      0.00000
     12       0.0682      0.00000
     13       0.4521      0.00000
     14       0.8448      0.00000
     15      -0.9465      0.00000
     16       0.5170      0.00000
     17       1.3093      0.00000
     18       0.4973      0.00000
     19      -0.2611      0.00000
     20       0.1779      0.00000
     21      -2.2441      0.00000
     22      -1.3609      0.00000
     23       2.6880      0.00000
     24      -0.5656      0.00000
     25       0.2854      0.00000
     26       0.7150      0.00000
     27      -0.8440      0.00000
     28       1.8888      0.00000
     29      -1.0388      0.00000
     30       0.9193      0.00000
     31      -2.1821      0.00000
     32       0.9956      0.00000
     33      -0.4434      0.00000
     34      -2.3314      0.00000
     35       1.1400      0.00000
     36      -3.2917      0.00000
     37      -0.9563      0.00000
     38       2.1123      0.00000
     39       0.1575      0.00000
     40       1.7856      0.00000

 k-point  86 :      -0.3636   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.1623      0.00000
      2       0.0917      0.00000
      3       0.3951      0.00000
      4      -0.7284      0.00000
      5      -0.6780      0.00000
      6       0.0323      0.00000
      7      -0.8882      0.00000
      8       0.8716      0.00000
      9       0.1546      0.00000
     10       0.0189      0.00000
     11       0.0539      0.00000
     12      -0.0425      0.00000
     13       0.2224      0.00000
     14       0.2210      0.00000
     15      -0.2604      0.00000
     16       0.3588      0.00000
     17       1.0852      0.00000
     18       0.3580      0.00000
     19       0.0382      0.00000
     20      -0.5024      0.00000
     21      -1.2778      0.00000
     22      -1.2533      0.00000
     23       2.0828      0.00000
     24      -1.0199      0.00000
     25       0.2566      0.00000
     26       0.9589      0.00000
     27      -0.5990      0.00000
     28       1.8046      0.00000
     29       0.8046      0.00000
     30      -0.7488      0.00000
     31      -1.9442      0.00000
     32       0.9497      0.00000
     33      -1.9532      0.00000
     34      -3.0248      0.00000
     35       0.9739      0.00000
     36      -0.1388      0.00000
     37      -0.3679      0.00000
     38       2.5762      0.00000
     39      -1.2021      0.00000
     40       0.2424      0.00000

 k-point  87 :      -0.2727   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0892      0.00000
      2       0.0419      0.00000
      3       0.4658      0.00000
      4      -0.6570      0.00000
      5      -0.5967      0.00000
      6      -0.0131      0.00000
      7      -0.7022      0.00000
      8       1.0938      0.00000
      9       0.0014      0.00000
     10       0.0420      0.00000
     11       0.0485      0.00000
     12      -0.0805      0.00000
     13      -0.3004      0.00000
     14       0.3000      0.00000
     15       0.1849      0.00000
     16       0.1053      0.00000
     17       0.7266      0.00000
     18       0.1824      0.00000
     19       0.1461      0.00000
     20      -0.2272      0.00000
     21      -1.3899      0.00000
     22      -0.2904      0.00000
     23       0.6336      0.00000
     24      -1.2624      0.00000
     25       0.0688      0.00000
     26       1.6465      0.00000
     27      -0.0223      0.00000
     28       0.4548      0.00000
     29       1.2212      0.00000
     30      -0.5363      0.00000
     31      -1.4984      0.00000
     32       1.0238      0.00000
     33      -1.2416      0.00000
     34      -0.7511      0.00000
     35      -0.8696      0.00000
     36      -1.4236      0.00000
     37       1.5550      0.00000
     38      -2.4638      0.00000
     39       3.6898      0.00000
     40      -1.1317      0.00000

 k-point  88 :      -0.1818   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0413      0.00000
      2       0.0180      0.00000
      3       0.5394      0.00000
      4      -0.6595      0.00000
      5      -0.4996      0.00000
      6      -0.0138      0.00000
      7      -0.5371      0.00000
      8       1.0665      0.00000
      9      -0.0198      0.00000
     10       0.0312      0.00000
     11       0.0372      0.00000
     12      -0.0942      0.00000
     13      -0.2590      0.00000
     14       0.3488      0.00000
     15       0.1423      0.00000
     16      -0.1631      0.00000
     17       0.4190      0.00000
     18       0.0423      0.00000
     19       0.1532      0.00000
     20      -0.0559      0.00000
     21      -0.6135      0.00000
     22      -0.1889      0.00000
     23      -0.8507      0.00000
     24       0.0105      0.00000
     25      -1.1582      0.00000
     26       2.4838      0.00000
     27       0.5893      0.00000
     28      -0.2116      0.00000
     29       0.2565      0.00000
     30      -0.5226      0.00000
     31      -0.5099      0.00000
     32       0.1330      0.00000
     33       0.9849      0.00000
     34       0.0055      0.00000
     35      -2.6879      0.00000
     36       1.1251      0.00000
     37      -0.2786      0.00000
     38       2.4895      0.00000
     39      -4.6637      0.00000
     40       3.1900      0.00000

 k-point  89 :      -0.0909   -0.0000    0.1667
  band No.  band energies     occupation 
      1      -0.0124      0.00000
      2       0.0064      0.00000
      3       0.6029      0.00000
      4      -0.4239      0.00000
      5      -0.6734      0.00000
      6       0.0142      0.00000
      7      -0.4356      0.00000
      8       0.9422      0.00000
      9      -0.0131      0.00000
     10       0.0146      0.00000
     11       0.0302      0.00000
     12      -0.0738      0.00000
     13      -0.1264      0.00000
     14       0.4795      0.00000
     15      -0.0299      0.00000
     16      -0.4011      0.00000
     17       0.1905      0.00000
     18      -0.0105      0.00000
     19       0.0712      0.00000
     20       0.0097      0.00000
     21      -0.1350      0.00000
     22      -0.1794      0.00000
     23      -0.0423      0.00000
     24      -0.7408      0.00000
     25      -1.9097      0.00000
     26       3.0974      0.00000
     27       0.8460      0.00000
     28      -0.8414      0.00000
     29      -0.5188      0.00000
     30       0.1499      0.00000
     31      -0.4492      0.00000
     32       0.6343      0.00000
     33      -0.6498      0.00000
     34       1.9808      0.00000
     35       1.7344      0.00000
     36      -3.3696      0.00000
     37      -1.1013      0.00000
     38       3.2478      0.00000
     39      -3.5173      0.00000
     40       0.9638      0.00000

 k-point  90 :      -0.0000    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0063      0.00000
      2      -0.0031      0.00000
      3      -0.3014      0.00000
      4       0.2120      0.00000
      5       0.3368      0.00000
      6      -0.0071      0.00000
      7       0.2179      0.00000
      8      -0.4710      0.00000
      9       0.0066      0.00000
     10      -0.0072      0.00000
     11      -0.0151      0.00000
     12       0.0369      0.00000
     13       0.0632      0.00000
     14      -0.2397      0.00000
     15       0.0150      0.00000
     16       0.2006      0.00000
     17      -0.0952      0.00000
     18       0.0053      0.00000
     19      -0.0356      0.00000
     20      -0.0048      0.00000
     21       0.0675      0.00000
     22       0.0897      0.00000
     23       0.0212      0.00000
     24       0.3704      0.00000
     25       0.9549      0.00000
     26      -1.5487      0.00000
     27      -0.4230      0.00000
     28       0.4207      0.00000
     29       0.2594      0.00000
     30      -0.0749      0.00000
     31       0.2246      0.00000
     32      -0.3171      0.00000
     33       0.3249      0.00000
     34      -0.9904      0.00000
     35      -0.8672      0.00000
     36       1.6848      0.00000
     37       0.5507      0.00000
     38      -1.6239      0.00000
     39       1.7587      0.00000
     40      -0.4819      0.00000

 k-point  91 :      -0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.1984      0.00000
      2       0.1272      0.00000
      3       0.3836      0.00000
      4      -0.6712      0.00000
      5      -0.7647      0.00000
      6      -0.0073      0.00000
      7       0.5527      0.00000
      8      -0.7053      0.00000
      9       0.1652      0.00000
     10      -0.0480      0.00000
     11       0.0589      0.00000
     12      -0.0085      0.00000
     13       0.4558      0.00000
     14       0.5263      0.00000
     15      -0.6015      0.00000
     16       0.3305      0.00000
     17       0.9292      0.00000
     18       0.5337      0.00000
     19      -0.0215      0.00000
     20      -0.5166      0.00000
     21      -1.0511      0.00000
     22      -1.3931      0.00000
     23       2.2583      0.00000
     24      -0.5561      0.00000
     25      -0.1179      0.00000
     26       0.4335      0.00000
     27      -0.2943      0.00000
     28       1.6941      0.00000
     29       0.3236      0.00000
     30      -0.2641      0.00000
     31      -1.7242      0.00000
     32      -1.7714      0.00000
     33       0.7035      0.00000
     34       1.4202      0.00000
     35      -1.8999      0.00000
     36      -1.5110      0.00000
     37      -1.7493      0.00000
     38       3.0849      0.00000
     39      -0.5555      0.00000
     40       1.7839      0.00000

 k-point  92 :      -0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.1112      0.00000
      2       0.0590      0.00000
      3       0.4341      0.00000
      4      -0.4871      0.00000
      5      -0.7149      0.00000
      6      -0.2476      0.00000
      7      -0.6050      0.00000
      8       1.0013      0.00000
      9       0.0595      0.00000
     10       0.0123      0.00000
     11       0.0495      0.00000
     12      -0.0367      0.00000
     13      -0.0923      0.00000
     14       0.2360      0.00000
     15       0.0554      0.00000
     16       0.2296      0.00000
     17       0.2415      0.00000
     18       0.7188      0.00000
     19       0.1044      0.00000
     20      -0.4187      0.00000
     21      -1.2738      0.00000
     22      -0.3607      0.00000
     23       1.1387      0.00000
     24      -0.7750      0.00000
     25       0.2250      0.00000
     26       0.2359      0.00000
     27       0.1541      0.00000
     28       1.3422      0.00000
     29       0.6824      0.00000
     30      -0.5450      0.00000
     31      -1.2878      0.00000
     32      -1.7790      0.00000
     33      -0.2995      0.00000
     34       0.7902      0.00000
     35       1.1683      0.00000
     36      -2.7779      0.00000
     37      -0.3709      0.00000
     38      -0.0181      0.00000
     39       1.9776      0.00000
     40      -0.3207      0.00000

 k-point  93 :      -0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0542      0.00000
      2       0.0256      0.00000
      3       0.4578      0.00000
      4      -0.2997      0.00000
      5      -0.6724      0.00000
      6      -0.2684      0.00000
      7      -0.3492      0.00000
      8       0.9442      0.00000
      9       0.0099      0.00000
     10       0.0074      0.00000
     11       0.0342      0.00000
     12      -0.0672      0.00000
     13      -0.3085      0.00000
     14       0.3476      0.00000
     15       0.1735      0.00000
     16      -0.0593      0.00000
     17       0.0137      0.00000
     18       0.5073      0.00000
     19       0.1342      0.00000
     20      -0.1083      0.00000
     21      -0.7518      0.00000
     22       0.0023      0.00000
     23      -0.6712      0.00000
     24      -0.4802      0.00000
     25       0.5944      0.00000
     26       0.5643      0.00000
     27       0.3624      0.00000
     28       0.8595      0.00000
     29       0.3066      0.00000
     30      -0.4887      0.00000
     31      -0.8754      0.00000
     32      -1.2528      0.00000
     33       0.1477      0.00000
     34       0.8849      0.00000
     35      -0.9788      0.00000
     36       0.2087      0.00000
     37       0.7307      0.00000
     38      -2.5555      0.00000
     39       1.5119      0.00000
     40       0.6163      0.00000

 k-point  94 :      -0.1818    0.0909    0.1667
  band No.  band energies     occupation 
      1      -0.0179      0.00000
      2       0.0098      0.00000
      3       0.3786      0.00000
      4      -0.0492      0.00000
      5      -0.7284      0.00000
      6      -0.2290      0.00000
      7      -0.1102      0.00000
      8       0.7752      0.00000
      9       0.0189      0.00000
     10      -0.0205      0.00000
     11       0.0170      0.00000
     12      -0.0635      0.00000
     13      -0.2025      0.00000
     14       0.3605      0.00000
     15       0.0193      0.00000
     16      -0.2758      0.00000
     17       0.2850      0.00000
     18      -0.0472      0.00000
     19       0.0783      0.00000
     20       0.0066      0.00000
     21      -0.1685      0.00000
     22       0.1060      0.00000
     23      -1.7753      0.00000
     24      -0.5472      0.00000
     25       1.1940      0.00000
     26       1.0136      0.00000
     27       0.9253      0.00000
     28      -0.2635      0.00000
     29      -0.4708      0.00000
     30      -0.6680      0.00000
     31       1.0243      0.00000
     32      -0.4231      0.00000
     33      -0.9321      0.00000
     34       0.6897      0.00000
     35      -0.7969      0.00000
     36       1.0326      0.00000
     37       0.2117      0.00000
     38       1.2690      0.00000
     39      -2.6329      0.00000
     40      -0.0642      0.00000

 k-point  95 :      -0.0909    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0019      0.00000
      2       0.0017      0.00000
      3       0.0397      0.00000
      4       0.2247      0.00000
      5       0.0181      0.00000
      6      -0.5548      0.00000
      7       0.2080      0.00000
      8       0.1620      0.00000
      9       0.0121      0.00000
     10      -0.0194      0.00000
     11      -0.0120      0.00000
     12      -0.0124      0.00000
     13      -0.0746      0.00000
     14      -0.1304      0.00000
     15      -0.1917      0.00000
     16       0.2623      0.00000
     17       0.0994      0.00000
     18      -0.0538      0.00000
     19      -0.0474      0.00000
     20       0.0456      0.00000
     21       0.0695      0.00000
     22      -0.0297      0.00000
     23      -0.1217      0.00000
     24      -0.0566      0.00000
     25       1.2186      0.00000
     26      -1.2613      0.00000
     27       0.2545      0.00000
     28       0.0297      0.00000
     29      -0.2728      0.00000
     30       0.1747      0.00000
     31      -0.0218      0.00000
     32      -0.0052      0.00000
     33      -0.0986      0.00000
     34      -0.8708      0.00000
     35      -0.5076      0.00000
     36       1.7096      0.00000
     37       2.0915      0.00000
     38      -1.6134      0.00000
     39       0.1095      0.00000
     40      -0.4921      0.00000

 k-point  96 :      -0.0000    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0208      0.00000
      2      -0.0089      0.00000
      3      -0.2697      0.00000
      4       0.3298      0.00000
      5       0.2498      0.00000
      6       0.0069      0.00000
      7       0.2686      0.00000
      8      -0.5332      0.00000
      9       0.0099      0.00000
     10      -0.0156      0.00000
     11      -0.0186      0.00000
     12       0.0471      0.00000
     13       0.1295      0.00000
     14      -0.1743      0.00000
     15      -0.0711      0.00000
     16       0.0816      0.00000
     17      -0.2094      0.00000
     18      -0.0211      0.00000
     19      -0.0765      0.00000
     20       0.0280      0.00000
     21       0.3068      0.00000
     22       0.0944      0.00000
     23       0.4253      0.00000
     24      -0.0052      0.00000
     25       0.5791      0.00000
     26      -1.2419      0.00000
     27      -0.2946      0.00000
     28       0.1058      0.00000
     29      -0.1283      0.00000
     30       0.2613      0.00000
     31       0.2550      0.00000
     32      -0.0665      0.00000
     33      -0.4924      0.00000
     34      -0.0028      0.00000
     35       1.3440      0.00000
     36      -0.5625      0.00000
     37       0.1393      0.00000
     38      -1.2447      0.00000
     39       2.3319      0.00000
     40      -1.5932      0.00000

 k-point  97 :       0.0909    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0045      0.00000
      2      -0.0076      0.00000
      3      -0.1446      0.00000
      4       0.0537      0.00000
      5       0.4688      0.00000
      6      -0.0760      0.00000
      7       0.1447      0.00000
      8      -0.7521      0.00000
      9      -0.0127      0.00000
     10       0.0329      0.00000
     11      -0.0087      0.00000
     12       0.0808      0.00000
     13       0.3381      0.00000
     14       0.1929      0.00000
     15      -0.1452      0.00000
     16       0.1050      0.00000
     17      -0.1608      0.00000
     18      -0.1313      0.00000
     19       0.0404      0.00000
     20      -0.1634      0.00000
     21       0.1532      0.00000
     22       0.3867      0.00000
     23      -1.1410      0.00000
     24      -0.3650      0.00000
     25       1.0283      0.00000
     26       0.1378      0.00000
     27       0.5725      0.00000
     28      -0.3231      0.00000
     29      -0.5208      0.00000
     30       0.6287      0.00000
     31      -0.4763      0.00000
     32      -0.1693      0.00000
     33      -0.8825      0.00000
     34       0.3979      0.00000
     35       1.1672      0.00000
     36       0.0896      0.00000
     37      -0.8992      0.00000
     38       1.5410      0.00000
     39      -0.6160      0.00000
     40      -2.0352      0.00000

 k-point  98 :      -0.5455    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.2147      0.00000
      2       0.1615      0.00000
      3       0.3491      0.00000
      4      -0.3477      0.00000
      5      -0.9289      0.00000
      6       0.1319      0.00000
      7       0.3515      0.00000
      8      -0.7679      0.00000
      9       0.1473      0.00000
     10      -0.1041      0.00000
     11       0.1566      0.00000
     12       0.0713      0.00000
     13       0.2941      0.00000
     14       0.7935      0.00000
     15       0.0589      0.00000
     16      -0.6086      0.00000
     17       0.4382      0.00000
     18       0.7434      0.00000
     19       0.0696      0.00000
     20      -0.7773      0.00000
     21      -1.0423      0.00000
     22      -0.4144      0.00000
     23       2.2199      0.00000
     24      -0.7657      0.00000
     25      -0.5856      0.00000
     26       0.5072      0.00000
     27       0.0128      0.00000
     28       1.1933      0.00000
     29       0.2687      0.00000
     30      -0.2335      0.00000
     31      -0.5589      0.00000
     32      -2.3622      0.00000
     33       1.4024      0.00000
     34       0.4305      0.00000
     35      -1.3670      0.00000
     36      -1.1939      0.00000
     37      -2.0300      0.00000
     38      -0.2680      0.00000
     39       4.4690      0.00000
     40      -0.7702      0.00000

 k-point  99 :      -0.4545    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.1139      0.00000
      2       0.0726      0.00000
      3       0.4512      0.00000
      4      -0.2391      0.00000
      5      -0.8905      0.00000
      6      -0.3478      0.00000
      7       0.5662      0.00000
      8      -0.2233      0.00000
      9       0.0638      0.00000
     10      -0.0518      0.00000
     11       0.0619      0.00000
     12       0.0133      0.00000
     13       0.2095      0.00000
     14       0.3416      0.00000
     15      -0.2533      0.00000
     16       0.2272      0.00000
     17      -0.0679      0.00000
     18       0.7644      0.00000
     19       0.0644      0.00000
     20      -0.7437      0.00000
     21      -0.3935      0.00000
     22      -0.2121      0.00000
     23       1.3259      0.00000
     24      -0.7816      0.00000
     25      -0.4470      0.00000
     26       0.2406      0.00000
     27       0.2944      0.00000
     28       1.1121      0.00000
     29       0.7014      0.00000
     30      -0.5904      0.00000
     31      -0.7974      0.00000
     32      -2.1765      0.00000
     33       0.1608      0.00000
     34       0.9003      0.00000
     35       0.2157      0.00000
     36      -0.8754      0.00000
     37      -2.2159      0.00000
     38       2.3687      0.00000
     39       0.9017      0.00000
     40       0.5934      0.00000

 k-point 100 :      -0.3636    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0514      0.00000
      2       0.0294      0.00000
      3       0.2301      0.00000
      4       0.1605      0.00000
      5      -0.4637      0.00000
      6      -0.7693      0.00000
      7      -0.0515      0.00000
      8       0.6744      0.00000
      9       0.0286      0.00000
     10      -0.0258      0.00000
     11       0.0346      0.00000
     12      -0.0109      0.00000
     13      -0.2329      0.00000
     14       0.1358      0.00000
     15       0.3459      0.00000
     16      -0.0573      0.00000
     17      -0.1402      0.00000
     18       0.4834      0.00000
     19       0.0722      0.00000
     20      -0.2089      0.00000
     21      -0.3524      0.00000
     22       0.3244      0.00000
     23      -0.4952      0.00000
     24      -0.9380      0.00000
     25       0.5039      0.00000
     26      -0.0274      0.00000
     27       0.8741      0.00000
     28       0.9008      0.00000
     29       0.2109      0.00000
     30      -0.4921      0.00000
     31      -0.7691      0.00000
     32      -1.3331      0.00000
     33      -0.2827      0.00000
     34       1.2322      0.00000
     35      -0.4387      0.00000
     36       0.3062      0.00000
     37       0.6082      0.00000
     38       0.1514      0.00000
     39      -0.3550      0.00000
     40      -0.1860      0.00000

 k-point 101 :      -0.2727    0.1818    0.1667
  band No.  band energies     occupation 
      1      -0.0118      0.00000
      2       0.0098      0.00000
      3       0.1215      0.00000
      4       0.3252      0.00000
      5      -0.2650      0.00000
      6      -0.7796      0.00000
      7       0.2372      0.00000
      8       0.4713      0.00000
      9       0.0292      0.00000
     10      -0.0455      0.00000
     11       0.0106      0.00000
     12      -0.0337      0.00000
     13      -0.2850      0.00000
     14       0.1656      0.00000
     15       0.1970      0.00000
     16      -0.2566      0.00000
     17       0.1637      0.00000
     18      -0.0234      0.00000
     19       0.0388      0.00000
     20       0.0095      0.00000
     21       0.0987      0.00000
     22       0.3245      0.00000
     23      -0.8491      0.00000
     24      -1.2831      0.00000
     25       0.8598      0.00000
     26       0.5490      0.00000
     27       0.3475      0.00000
     28       0.6004      0.00000
     29      -0.5448      0.00000
     30       0.3335      0.00000
     31      -1.4082      0.00000
     32       0.2996      0.00000
     33      -0.6199      0.00000
     34       0.3015      0.00000
     35       1.0071      0.00000
     36       1.4563      0.00000
     37       0.3761      0.00000
     38      -0.8180      0.00000
     39      -0.3271      0.00000
     40      -1.2845      0.00000

 k-point 102 :      -0.1818    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0123      0.00000
      2       0.0002      0.00000
      3       0.0213      0.00000
      4      -0.0614      0.00000
      5       0.2808      0.00000
      6      -0.4962      0.00000
      7       0.2400      0.00000
      8       0.2936      0.00000
      9       0.0030      0.00000
     10      -0.0354      0.00000
     11      -0.0127      0.00000
     12      -0.0218      0.00000
     13      -0.1754      0.00000
     14       0.0019      0.00000
     15      -0.3534      0.00000
     16       0.1734      0.00000
     17       0.0872      0.00000
     18      -0.1070      0.00000
     19      -0.0770      0.00000
     20       0.1063      0.00000
     21       0.2892      0.00000
     22       0.0931      0.00000
     23       0.3981      0.00000
     24      -0.2032      0.00000
     25      -0.0416      0.00000
     26      -0.8484      0.00000
     27       0.4426      0.00000
     28      -0.3081      0.00000
     29      -0.1334      0.00000
     30       0.4703      0.00000
     31      -0.2056      0.00000
     32       0.3284      0.00000
     33      -0.4934      0.00000
     34      -0.6390      0.00000
     35       1.3325      0.00000
     36       0.7154      0.00000
     37       1.1943      0.00000
     38      -1.2366      0.00000
     39       0.7097      0.00000
     40      -1.2974      0.00000

 k-point 103 :      -0.0909    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0230      0.00000
      2      -0.0055      0.00000
      3      -0.2962      0.00000
      4       0.2593      0.00000
      5      -0.2428      0.00000
      6       0.4779      0.00000
      7       0.1870      0.00000
      8      -0.1252      0.00000
      9      -0.0077      0.00000
     10      -0.0192      0.00000
     11      -0.0227      0.00000
     12       0.0091      0.00000
     13      -0.0406      0.00000
     14      -0.7090      0.00000
     15       0.1305      0.00000
     16       0.3073      0.00000
     17      -0.1177      0.00000
     18      -0.0044      0.00000
     19      -0.1618      0.00000
     20       0.1206      0.00000
     21       0.3319      0.00000
     22      -0.3591      0.00000
     23       3.4146      0.00000
     24      -0.2242      0.00000
     25      -1.5834      0.00000
     26      -1.6564      0.00000
     27      -0.3960      0.00000
     28      -0.3126      0.00000
     29       1.0381      0.00000
     30       0.4581      0.00000
     31      -1.0472      0.00000
     32       0.1704      0.00000
     33       1.2886      0.00000
     34      -1.3491      0.00000
     35       1.1208      0.00000
     36      -0.5121      0.00000
     37       2.2040      0.00000
     38      -2.3356      0.00000
     39       1.9025      0.00000
     40       0.6414      0.00000

 k-point 104 :      -0.0000    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0447      0.00000
      2      -0.0208      0.00000
      3      -0.2329      0.00000
      4       0.3286      0.00000
      5       0.2984      0.00000
      6       0.0066      0.00000
      7       0.3511      0.00000
      8      -0.5468      0.00000
      9      -0.0006      0.00000
     10      -0.0210      0.00000
     11      -0.0242      0.00000
     12       0.0403      0.00000
     13       0.1502      0.00000
     14      -0.1499      0.00000
     15      -0.0925      0.00000
     16      -0.0526      0.00000
     17      -0.3632      0.00000
     18      -0.0911      0.00000
     19      -0.0730      0.00000
     20       0.1137      0.00000
     21       0.6950      0.00000
     22       0.1452      0.00000
     23      -0.3168      0.00000
     24       0.6312      0.00000
     25      -0.0344      0.00000
     26      -0.8232      0.00000
     27       0.0112      0.00000
     28      -0.2273      0.00000
     29      -0.6106      0.00000
     30       0.2682      0.00000
     31       0.7492      0.00000
     32      -0.5119      0.00000
     33       0.6208      0.00000
     34       0.3756      0.00000
     35       0.4348      0.00000
     36       0.7118      0.00000
     37      -0.7775      0.00000
     38       1.2320      0.00000
     39      -1.8448      0.00000
     40       0.5660      0.00000

 k-point 105 :       0.0909    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0289      0.00000
      2      -0.0191      0.00000
      3      -0.2131      0.00000
      4       0.3005      0.00000
      5       0.3655      0.00000
      6      -0.1129      0.00000
      7       0.2447      0.00000
      8      -0.6918      0.00000
      9      -0.0871      0.00000
     10      -0.0147      0.00000
     11      -0.0150      0.00000
     12       0.1209      0.00000
     13       0.2733      0.00000
     14       0.0936      0.00000
     15       0.0553      0.00000
     16       0.0371      0.00000
     17      -0.5872      0.00000
     18       0.0094      0.00000
     19       0.0154      0.00000
     20      -0.1511      0.00000
     21       0.6523      0.00000
     22       0.4120      0.00000
     23      -1.0420      0.00000
     24      -0.9148      0.00000
     25       0.9588      0.00000
     26       1.0280      0.00000
     27      -0.4703      0.00000
     28      -0.1613      0.00000
     29      -0.3595      0.00000
     30      -0.4364      0.00000
     31       0.2302      0.00000
     32       0.2729      0.00000
     33       0.0209      0.00000
     34      -0.4047      0.00000
     35      -0.9993      0.00000
     36       3.0847      0.00000
     37       0.7930      0.00000
     38       0.3031      0.00000
     39      -0.9322      0.00000
     40      -0.6039      0.00000

 k-point 106 :       0.1818    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0005      0.00000
      2      -0.0052      0.00000
      3      -0.3226      0.00000
      4       0.3224      0.00000
      5       0.4560      0.00000
      6      -0.1671      0.00000
      7      -0.6427      0.00000
      8      -0.0527      0.00000
      9      -0.0987      0.00000
     10      -0.0538      0.00000
     11       0.0049      0.00000
     12       0.1284      0.00000
     13       0.4342      0.00000
     14      -0.0623      0.00000
     15       0.5855      0.00000
     16      -0.0138      0.00000
     17      -0.3299      0.00000
     18      -0.1672      0.00000
     19       0.0479      0.00000
     20      -0.4162      0.00000
     21       0.1940      0.00000
     22       0.4809      0.00000
     23      -0.7716      0.00000
     24       0.5009      0.00000
     25      -0.6205      0.00000
     26       1.6961      0.00000
     27      -0.6614      0.00000
     28      -0.3426      0.00000
     29      -0.5264      0.00000
     30       0.6003      0.00000
     31      -1.1040      0.00000
     32       0.8422      0.00000
     33      -0.2470      0.00000
     34      -0.7760      0.00000
     35      -0.2918      0.00000
     36       1.7722      0.00000
     37       2.3120      0.00000
     38      -2.1845      0.00000
     39      -0.1941      0.00000
     40       0.2354      0.00000

 k-point 107 :      -0.5455    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0832      0.00000
      2       0.0657      0.00000
      3       0.2001      0.00000
      4       0.0225      0.00000
      5      -0.4241      0.00000
      6      -0.4056      0.00000
      7       0.0032      0.00000
      8       0.2432      0.00000
      9      -0.0279      0.00000
     10      -0.0608      0.00000
     11       0.1442      0.00000
     12       0.0407      0.00000
     13       0.0410      0.00000
     14       0.3068      0.00000
     15       0.0116      0.00000
     16      -0.1263      0.00000
     17      -0.3041      0.00000
     18       0.5822      0.00000
     19       0.0206      0.00000
     20      -0.6581      0.00000
     21      -0.2036      0.00000
     22       0.4920      0.00000
     23       1.5145      0.00000
     24      -1.4191      0.00000
     25      -0.8969      0.00000
     26       1.5892      0.00000
     27      -0.6271      0.00000
     28       0.8456      0.00000
     29      -0.3275      0.00000
     30      -0.1567      0.00000
     31      -0.8410      0.00000
     32      -1.1375      0.00000
     33       0.8685      0.00000
     34       0.3008      0.00000
     35      -1.1407      0.00000
     36       1.5291      0.00000
     37      -0.5424      0.00000
     38      -0.8647      0.00000
     39       2.0727      0.00000
     40      -0.6547      0.00000

 k-point 108 :      -0.4545    0.2727    0.1667
  band No.  band energies     occupation 
      1      -0.0237      0.00000
      2       0.0187      0.00000
      3      -0.1138      0.00000
      4       0.5423      0.00000
      5      -0.2174      0.00000
      6      -0.7968      0.00000
      7       0.3600      0.00000
      8       0.1886      0.00000
      9      -0.0309      0.00000
     10      -0.0653      0.00000
     11       0.0499      0.00000
     12       0.0306      0.00000
     13      -0.0406      0.00000
     14       0.0483      0.00000
     15       0.1253      0.00000
     16      -0.0558      0.00000
     17      -0.2251      0.00000
     18       0.2646      0.00000
     19      -0.0068      0.00000
     20      -0.1798      0.00000
     21       0.0887      0.00000
     22       0.7153      0.00000
     23      -0.3959      0.00000
     24      -0.6035      0.00000
     25      -0.7678      0.00000
     26       1.3637      0.00000
     27      -0.0331      0.00000
     28       0.7306      0.00000
     29      -1.3047      0.00000
     30       1.0049      0.00000
     31      -1.1491      0.00000
     32      -0.6044      0.00000
     33       0.3155      0.00000
     34      -0.6314      0.00000
     35       0.5554      0.00000
     36       1.2929      0.00000
     37       2.4411      0.00000
     38      -2.0947      0.00000
     39      -0.0179      0.00000
     40      -0.1355      0.00000

 k-point 109 :      -0.3636    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0106      0.00000
      2       0.0001      0.00000
      3       0.0027      0.00000
      4       0.3236      0.00000
      5       0.0230      0.00000
      6      -0.7859      0.00000
      7       0.4567      0.00000
      8       0.2509      0.00000
      9      -0.0226      0.00000
     10      -0.0445      0.00000
     11       0.0092      0.00000
     12      -0.0029      0.00000
     13      -0.3029      0.00000
     14       0.0710      0.00000
     15       0.1789      0.00000
     16      -0.2377      0.00000
     17       0.0840      0.00000
     18      -0.1788      0.00000
     19       0.0019      0.00000
     20       0.0232      0.00000
     21       0.4494      0.00000
     22       0.6887      0.00000
     23      -0.9649      0.00000
     24      -1.3846      0.00000
     25       0.2657      0.00000
     26       0.9574      0.00000
     27       0.4330      0.00000
     28       0.6555      0.00000
     29      -1.3065      0.00000
     30      -0.3039      0.00000
     31       0.2322      0.00000
     32       0.0390      0.00000
     33      -0.8035      0.00000
     34       0.8204      0.00000
     35      -0.6429      0.00000
     36       2.6386      0.00000
     37       1.1958      0.00000
     38      -0.3318      0.00000
     39      -1.6420      0.00000
     40      -0.3785      0.00000

 k-point 110 :      -0.2727    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0330      0.00000
      2      -0.0085      0.00000
      3       0.0222      0.00000
      4      -0.0265      0.00000
      5       0.3433      0.00000
      6      -0.4506      0.00000
      7       0.3016      0.00000
      8       0.3402      0.00000
      9      -0.0389      0.00000
     10      -0.0385      0.00000
     11      -0.0170      0.00000
     12      -0.0294      0.00000
     13      -0.3126      0.00000
     14       0.0695      0.00000
     15      -0.3901      0.00000
     16       0.0374      0.00000
     17       0.0016      0.00000
     18      -0.1720      0.00000
     19      -0.0709      0.00000
     20       0.1827      0.00000
     21       0.5667      0.00000
     22       0.4076      0.00000
     23      -0.5178      0.00000
     24       0.0321      0.00000
     25      -0.1750      0.00000
     26      -0.5666      0.00000
     27       0.5322      0.00000
     28      -0.5049      0.00000
     29      -0.2707      0.00000
     30       0.0836      0.00000
     31       0.5831      0.00000
     32      -0.4203      0.00000
     33       1.1546      0.00000
     34      -0.0188      0.00000
     35       0.2777      0.00000
     36       1.5194      0.00000
     37      -0.8445      0.00000
     38      -0.0152      0.00000
     39      -1.0897      0.00000
     40       0.3185      0.00000

 k-point 111 :      -0.1818    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0459      0.00000
      2      -0.0135      0.00000
      3      -0.1063      0.00000
      4      -0.2407      0.00000
      5       0.6041      0.00000
      6       0.0693      0.00000
      7       0.0868      0.00000
      8       0.2027      0.00000
      9      -0.0356      0.00000
     10      -0.0335      0.00000
     11      -0.0280      0.00000
     12      -0.0320      0.00000
     13      -0.1911      0.00000
     14      -0.1081      0.00000
     15      -0.7143      0.00000
     16       0.2670      0.00000
     17      -0.1958      0.00000
     18       0.0186      0.00000
     19      -0.1741      0.00000
     20       0.2878      0.00000
     21       0.5546      0.00000
     22      -0.2459      0.00000
     23       1.5915      0.00000
     24       0.3915      0.00000
     25      -0.9269      0.00000
     26      -1.4419      0.00000
     27       0.1116      0.00000
     28      -1.0831      0.00000
     29       0.2360      0.00000
     30      -0.3934      0.00000
     31       2.1489      0.00000
     32       0.6270      0.00000
     33       0.8016      0.00000
     34      -0.8995      0.00000
     35      -0.1904      0.00000
     36      -0.2425      0.00000
     37      -0.1333      0.00000
     38       1.3506      0.00000
     39      -0.9939      0.00000
     40       1.2870      0.00000

 k-point 112 :      -0.0909    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0499      0.00000
      2      -0.0178      0.00000
      3      -0.3132      0.00000
      4       0.2461      0.00000
      5       0.2037      0.00000
      6       0.3445      0.00000
      7       0.2046      0.00000
      8      -0.1920      0.00000
      9       0.0028      0.00000
     10      -0.0403      0.00000
     11      -0.0254      0.00000
     12      -0.0136      0.00000
     13      -0.0296      0.00000
     14      -0.5402      0.00000
     15      -0.0283      0.00000
     16      -0.0456      0.00000
     17       0.1473      0.00000
     18      -0.3759      0.00000
     19      -0.1745      0.00000
     20       0.2718      0.00000
     21       0.5987      0.00000
     22      -0.3890      0.00000
     23       1.8122      0.00000
     24       0.8452      0.00000
     25      -1.6227      0.00000
     26      -0.7021      0.00000
     27      -0.9348      0.00000
     28      -0.5364      0.00000
     29       0.2142      0.00000
     30      -0.1400      0.00000
     31       1.3518      0.00000
     32       1.4221      0.00000
     33       0.7348      0.00000
     34      -1.2828      0.00000
     35      -0.1883      0.00000
     36      -0.2983      0.00000
     37       0.1686      0.00000
     38       1.0146      0.00000
     39      -0.8959      0.00000
     40       1.4189      0.00000

 k-point 113 :      -0.0000    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0812      0.00000
      2      -0.0458      0.00000
      3      -0.1975      0.00000
      4       0.3642      0.00000
      5       0.3390      0.00000
      6      -0.0161      0.00000
      7       0.4441      0.00000
      8      -0.4357      0.00000
      9      -0.0773      0.00000
     10      -0.0094      0.00000
     11      -0.0269      0.00000
     12       0.0213      0.00000
     13      -0.1112      0.00000
     14      -0.1104      0.00000
     15       0.1302      0.00000
     16      -0.1793      0.00000
     17      -0.5425      0.00000
     18      -0.1789      0.00000
     19      -0.0191      0.00000
     20       0.2512      0.00000
     21       0.6390      0.00000
     22       0.6267      0.00000
     23      -1.0414      0.00000
     24       0.5100      0.00000
     25      -0.1283      0.00000
     26      -0.4794      0.00000
     27       0.2995      0.00000
     28      -0.9023      0.00000
     29      -0.4023      0.00000
     30       0.3744      0.00000
     31       0.9721      0.00000
     32      -0.4748      0.00000
     33       0.9766      0.00000
     34       1.5124      0.00000
     35      -0.4870      0.00000
     36       0.0694      0.00000
     37       0.1840      0.00000
     38      -1.2881      0.00000
     39       0.6009      0.00000
     40      -0.1214      0.00000

 k-point 114 :       0.0909    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0775      0.00000
      2      -0.0516      0.00000
      3      -0.2542      0.00000
      4       0.4572      0.00000
      5       0.4047      0.00000
      6      -0.2454      0.00000
      7      -0.2638      0.00000
      8       0.2478      0.00000
      9      -0.1533      0.00000
     10      -0.0801      0.00000
     11      -0.0136      0.00000
     12       0.0893      0.00000
     13      -0.0630      0.00000
     14      -0.1513      0.00000
     15       0.6474      0.00000
     16      -0.1917      0.00000
     17      -0.9824      0.00000
     18       0.1087      0.00000
     19       0.0470      0.00000
     20       0.0171      0.00000
     21       0.5793      0.00000
     22       0.6965      0.00000
     23      -1.2678      0.00000
     24       0.1864      0.00000
     25      -0.2182      0.00000
     26       1.2109      0.00000
     27      -0.9750      0.00000
     28      -0.2061      0.00000
     29       0.3191      0.00000
     30      -1.1055      0.00000
     31       0.9156      0.00000
     32       0.8802      0.00000
     33      -0.6109      0.00000
     34      -0.9699      0.00000
     35       1.9313      0.00000
     36       0.5651      0.00000
     37       0.5964      0.00000
     38      -0.2325      0.00000
     39      -0.4306      0.00000
     40      -1.0747      0.00000

 k-point 115 :       0.1818    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0761      0.00000
      2      -0.0594      0.00000
      3      -0.3154      0.00000
      4       0.5278      0.00000
      5       0.4151      0.00000
      6      -0.3090      0.00000
      7      -0.1232      0.00000
      8       0.0822      0.00000
      9      -0.1394      0.00000
     10      -0.0274      0.00000
     11      -0.0498      0.00000
     12       0.0010      0.00000
     13      -0.0062      0.00000
     14      -0.3003      0.00000
     15       0.4444      0.00000
     16       0.3370      0.00000
     17      -0.6732      0.00000
     18      -0.1310      0.00000
     19       0.0355      0.00000
     20       0.1126      0.00000
     21       0.3963      0.00000
     22       0.2000      0.00000
     23      -1.1842      0.00000
     24       1.1572      0.00000
     25      -1.1414      0.00000
     26       1.4868      0.00000
     27      -1.0125      0.00000
     28      -0.0417      0.00000
     29      -0.2212      0.00000
     30       0.6786      0.00000
     31      -0.8888      0.00000
     32       1.5158      0.00000
     33      -1.0910      0.00000
     34      -0.0896      0.00000
     35       0.7334      0.00000
     36      -0.3648      0.00000
     37       1.3488      0.00000
     38       0.7789      0.00000
     39      -1.9393      0.00000
     40       0.4798      0.00000

 k-point 116 :       0.2727   -0.6364    0.1667
  band No.  band energies     occupation 
      1       0.1100      0.00000
      2      -0.0987      0.00000
      3      -0.1863      0.00000
      4       0.3104      0.00000
      5       0.1073      0.00000
      6      -0.0247      0.00000
      7       0.3727      0.00000
      8      -0.1863      0.00000
      9      -0.0425      0.00000
     10       0.0169      0.00000
     11      -0.3097      0.00000
     12       0.0372      0.00000
     13       0.0083      0.00000
     14      -0.4623      0.00000
     15       0.3368      0.00000
     16       0.4780      0.00000
     17      -0.2597      0.00000
     18      -0.3499      0.00000
     19      -0.1198      0.00000
     20       0.6847      0.00000
     21       0.1639      0.00000
     22      -0.3656      0.00000
     23      -1.5438      0.00000
     24       1.4009      0.00000
     25       0.6238      0.00000
     26      -0.3498      0.00000
     27      -0.4583      0.00000
     28      -0.3884      0.00000
     29       0.0794      0.00000
     30       0.0080      0.00000
     31       0.8450      0.00000
     32       0.5077      0.00000
     33      -0.9174      0.00000
     34       0.3509      0.00000
     35      -0.8481      0.00000
     36      -0.2159      0.00000
     37       0.4921      0.00000
     38       1.5496      0.00000
     39       0.3832      0.00000
     40      -1.5963      0.00000

 k-point 117 :      -0.6364    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0919      0.00000
      2      -0.0805      0.00000
      3       0.0078      0.00000
      4       0.0251      0.00000
      5       0.0446      0.00000
      6      -0.2099      0.00000
      7      -0.3205      0.00000
      8       1.0232      0.00000
      9      -0.1468      0.00000
     10       0.0198      0.00000
     11       0.1016      0.00000
     12      -0.2093      0.00000
     13      -0.0223      0.00000
     14      -0.1764      0.00000
     15      -0.2899      0.00000
     16       0.2614      0.00000
     17      -0.0413      0.00000
     18      -0.2164      0.00000
     19      -0.3796      0.00000
     20       0.6079      0.00000
     21       0.6778      0.00000
     22      -0.2866      0.00000
     23      -0.8994      0.00000
     24       0.3074      0.00000
     25       0.5952      0.00000
     26      -0.7607      0.00000
     27       0.3071      0.00000
     28      -0.0314      0.00000
     29      -0.3148      0.00000
     30       0.0979      0.00000
     31       0.2672      0.00000
     32      -0.0774      0.00000
     33      -0.8220      0.00000
     34       1.0419      0.00000
     35       0.6467      0.00000
     36       0.3750      0.00000
     37      -0.5060      0.00000
     38       0.6012      0.00000
     39       0.8168      0.00000
     40      -2.0023      0.00000

 k-point 118 :      -0.5455    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0563      0.00000
      2      -0.0392      0.00000
      3      -0.0524      0.00000
      4       0.4636      0.00000
      5      -0.1669      0.00000
      6      -0.3180      0.00000
      7      -0.1548      0.00000
      8       0.6637      0.00000
      9      -0.0526      0.00000
     10      -0.0458      0.00000
     11       0.0897      0.00000
     12      -0.0042      0.00000
     13      -0.1850      0.00000
     14      -0.0688      0.00000
     15      -0.4419      0.00000
     16       0.3691      0.00000
     17      -0.1763      0.00000
     18      -0.1712      0.00000
     19      -0.1044      0.00000
     20      -0.0255      0.00000
     21       1.1126      0.00000
     22       0.2153      0.00000
     23      -0.8697      0.00000
     24      -0.2276      0.00000
     25      -1.1149      0.00000
     26       1.0775      0.00000
     27       0.5559      0.00000
     28       0.4211      0.00000
     29      -1.7095      0.00000
     30       1.3924      0.00000
     31      -0.7699      0.00000
     32       0.0054      0.00000
     33      -0.7963      0.00000
     34       0.2895      0.00000
     35       1.8703      0.00000
     36       0.1362      0.00000
     37       1.5873      0.00000
     38       0.1523      0.00000
     39      -2.0309      0.00000
     40      -0.4796      0.00000

 k-point 119 :      -0.4545    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0602      0.00000
      2      -0.0339      0.00000
      3      -0.0346      0.00000
      4       0.2592      0.00000
      5       0.2233      0.00000
      6      -0.6014      0.00000
      7       0.1769      0.00000
      8       0.4893      0.00000
      9      -0.0213      0.00000
     10      -0.0628      0.00000
     11       0.0201      0.00000
     12       0.0387      0.00000
     13      -0.2654      0.00000
     14      -0.1588      0.00000
     15      -0.0911      0.00000
     16       0.0419      0.00000
     17      -0.0614      0.00000
     18      -0.3670      0.00000
     19       0.0095      0.00000
     20      -0.0586      0.00000
     21       0.9361      0.00000
     22       0.7890      0.00000
     23      -1.2788      0.00000
     24      -0.5571      0.00000
     25      -0.7305      0.00000
     26       0.9359      0.00000
     27       0.8334      0.00000
     28       0.3647      0.00000
     29      -1.9624      0.00000
     30       0.0023      0.00000
     31       1.0071      0.00000
     32       0.0225      0.00000
     33      -0.4107      0.00000
     34      -0.5238      0.00000
     35       2.2695      0.00000
     36       1.0023      0.00000
     37       0.3694      0.00000
     38      -0.3749      0.00000
     39      -0.8135      0.00000
     40      -1.5891      0.00000

 k-point 120 :      -0.3636    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0685      0.00000
      2      -0.0325      0.00000
      3       0.0302      0.00000
      4       0.0512      0.00000
      5       0.3779      0.00000
      6      -0.4492      0.00000
      7       0.3917      0.00000
      8       0.3419      0.00000
      9      -0.0430      0.00000
     10      -0.0136      0.00000
     11      -0.0232      0.00000
     12      -0.0403      0.00000
     13      -0.4612      0.00000
     14      -0.0010      0.00000
     15      -0.1873      0.00000
     16      -0.1137      0.00000
     17      -0.1730      0.00000
     18      -0.2348      0.00000
     19      -0.0133      0.00000
     20       0.1738      0.00000
     21       0.6113      0.00000
     22       0.9309      0.00000
     23      -1.3287      0.00000
     24       0.2657      0.00000
     25      -0.1139      0.00000
     26      -0.4546      0.00000
     27       0.4695      0.00000
     28      -0.5322      0.00000
     29      -0.5390      0.00000
     30       0.3369      0.00000
     31       0.7420      0.00000
     32      -0.0890      0.00000
     33       1.4452      0.00000
     34       0.9516      0.00000
     35      -0.4247      0.00000
     36      -0.4392      0.00000
     37       0.2042      0.00000
     38      -1.6313      0.00000
     39       0.6599      0.00000
     40      -0.8711      0.00000

 k-point 121 :      -0.2727    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0756      0.00000
      2      -0.0326      0.00000
      3       0.0103      0.00000
      4      -0.2221      0.00000
      5       0.4902      0.00000
      6       0.1271      0.00000
      7       0.0821      0.00000
      8       0.4647      0.00000
      9      -0.0600      0.00000
     10       0.0006      0.00000
     11      -0.0415      0.00000
     12      -0.0987      0.00000
     13      -0.5096      0.00000
     14       0.1330      0.00000
     15      -0.8381      0.00000
     16       0.1382      0.00000
     17      -0.2924      0.00000
     18       0.0169      0.00000
     19      -0.1129      0.00000
     20       0.5202      0.00000
     21       0.4492      0.00000
     22       0.3112      0.00000
     23      -0.6973      0.00000
     24       1.6530      0.00000
     25      -0.1769      0.00000
     26      -1.9208      0.00000
     27       0.2281      0.00000
     28      -1.4534      0.00000
     29       0.7226      0.00000
     30       0.5454      0.00000
     31       0.6707      0.00000
     32       1.9136      0.00000
     33       0.7679      0.00000
     34      -0.7988      0.00000
     35      -0.2095      0.00000
     36      -0.7560      0.00000
     37      -0.2997      0.00000
     38      -0.7816      0.00000
     39      -0.4897      0.00000
     40       0.3415      0.00000

 k-point 122 :      -0.1818    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0804      0.00000
      2      -0.0350      0.00000
      3      -0.1929      0.00000
      4      -0.0486      0.00000
      5       0.2846      0.00000
      6       0.5914      0.00000
      7       0.1494      0.00000
      8       0.1584      0.00000
      9      -0.0128      0.00000
     10      -0.0018      0.00000
     11      -0.0429      0.00000
     12      -0.1148      0.00000
     13      -0.3472      0.00000
     14       0.0138      0.00000
     15      -0.7250      0.00000
     16      -0.1704      0.00000
     17       0.1849      0.00000
     18      -0.3460      0.00000
     19      -0.1648      0.00000
     20       0.6943      0.00000
     21       0.5784      0.00000
     22      -0.6896      0.00000
     23       1.6067      0.00000
     24       0.7053      0.00000
     25      -1.0356      0.00000
     26       0.0162      0.00000
     27      -2.2613      0.00000
     28      -0.2814      0.00000
     29      -0.1962      0.00000
     30      -0.0203      0.00000
     31       1.6701      0.00000
     32       1.8123      0.00000
     33       1.4932      0.00000
     34      -2.7633      0.00000
     35       0.6346      0.00000
     36       0.8911      0.00000
     37      -2.1279      0.00000
     38      -0.9733      0.00000
     39       0.7509      0.00000
     40       0.5933      0.00000

 k-point 123 :      -0.0909    0.3636    0.1667
  band No.  band energies     occupation 
      1       0.0824      0.00000
      2      -0.0397      0.00000
      3      -0.2209      0.00000
      4       0.1867      0.00000
      5       0.3494      0.00000
      6       0.3605      0.00000
      7       0.3604      0.00000
      8      -0.3095      0.00000
      9       0.0277      0.00000
     10       0.0025      0.00000
     11      -0.0344      0.00000
     12      -0.0842      0.00000
     13      -0.1810      0.00000
     14      -0.3294      0.00000
     15      -0.1106      0.00000
     16      -0.2666      0.00000
     17       0.3460      0.00000
     18      -0.7282      0.00000
     19      -0.1197      0.00000
     20       0.5699      0.00000
     21       0.6216      0.00000
     22      -0.0513      0.00000
     23      -0.0966      0.00000
     24       1.6899      0.00000
     25      -1.1837      0.00000
     26      -1.2639      0.00000
     27       0.3163      0.00000
     28      -1.1808      0.00000
     29      -0.3228      0.00000
     30       0.9815      0.00000
     31       1.0576      0.00000
     32       1.5062      0.00000
     33       0.2787      0.00000
     34      -0.3855      0.00000
     35      -0.1689      0.00000
     36      -0.3067      0.00000
     37      -0.4220      0.00000
     38      -0.2850      0.00000
     39      -1.0453      0.00000
     40       0.9245      0.00000

 k-point 124 :      -0.0000    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.1300      0.00000
      2      -0.0873      0.00000
      3      -0.1622      0.00000
      4       0.3886      0.00000
      5       0.3650      0.00000
      6      -0.0862      0.00000
      7      -0.2811      0.00000
      8       0.4968      0.00000
      9      -0.0280      0.00000
     10       0.0177      0.00000
     11      -0.0253      0.00000
     12      -0.0341      0.00000
     13      -0.2261      0.00000
     14      -0.4223      0.00000
     15       0.4733      0.00000
     16      -0.2584      0.00000
     17      -0.6546      0.00000
     18      -0.2486      0.00000
     19       0.1306      0.00000
     20      -0.0889      0.00000
     21       1.1221      0.00000
     22       0.6805      0.00000
     23      -1.3439      0.00000
     24       0.2828      0.00000
     25      -0.1427      0.00000
     26      -0.3575      0.00000
     27       0.4220      0.00000
     28      -0.9443      0.00000
     29       0.5194      0.00000
     30      -0.4596      0.00000
     31       1.0911      0.00000
     32      -0.4978      0.00000
     33       0.2217      0.00000
     34       1.1657      0.00000
     35      -0.5700      0.00000
     36       1.6459      0.00000
     37       0.4782      0.00000
     38      -1.0561      0.00000
     39      -0.0788      0.00000
     40      -0.9070      0.00000

 k-point 125 :       0.0909   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.1383      0.00000
      2      -0.0989      0.00000
      3      -0.1663      0.00000
      4       0.3726      0.00000
      5       0.4326      0.00000
      6      -0.3017      0.00000
      7       0.0824      0.00000
      8       0.3034      0.00000
      9       0.0135      0.00000
     10       0.0159      0.00000
     11      -0.0424      0.00000
     12      -0.1091      0.00000
     13      -0.1435      0.00000
     14      -0.6139      0.00000
     15       0.7285      0.00000
     16      -0.3047      0.00000
     17      -0.8501      0.00000
     18      -0.0200      0.00000
     19       0.1935      0.00000
     20      -0.2436      0.00000
     21       1.1417      0.00000
     22       0.4989      0.00000
     23      -1.4794      0.00000
     24       0.8877      0.00000
     25       0.1992      0.00000
     26      -0.2795      0.00000
     27      -0.7854      0.00000
     28      -0.8720      0.00000
     29       1.3875      0.00000
     30      -0.6776      0.00000
     31       0.7457      0.00000
     32       1.2312      0.00000
     33      -0.6751      0.00000
     34      -0.7237      0.00000
     35       1.4514      0.00000
     36       0.5317      0.00000
     37      -0.0659      0.00000
     38      -1.1843      0.00000
     39      -0.2605      0.00000
     40       0.6890      0.00000

 k-point 126 :       0.1818   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.1423      0.00000
      2      -0.1056      0.00000
      3      -0.1772      0.00000
      4       0.1918      0.00000
      5       0.5135      0.00000
      6      -0.1701      0.00000
      7       0.4715      0.00000
      8       0.1527      0.00000
      9       0.0311      0.00000
     10       0.0401      0.00000
     11      -0.1321      0.00000
     12      -0.2119      0.00000
     13      -0.4280      0.00000
     14      -0.6020      0.00000
     15       0.4121      0.00000
     16      -0.1387      0.00000
     17      -0.1940      0.00000
     18      -0.2610      0.00000
     19       0.0461      0.00000
     20       0.4445      0.00000
     21       0.5548      0.00000
     22       0.1147      0.00000
     23      -1.6961      0.00000
     24       1.0486      0.00000
     25       1.8336      0.00000
     26      -1.8317      0.00000
     27      -0.5831      0.00000
     28      -0.7710      0.00000
     29       0.9668      0.00000
     30      -0.8891      0.00000
     31       1.0493      0.00000
     32       1.9182      0.00000
     33      -0.5485      0.00000
     34      -0.7880      0.00000
     35      -0.6048      0.00000
     36       1.4074      0.00000
     37       0.6361      0.00000
     38       0.1663      0.00000
     39      -2.0658      0.00000
     40       0.5725      0.00000

 k-point 127 :       0.2727   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.1419      0.00000
      2      -0.1062      0.00000
      3      -0.1239      0.00000
      4      -0.0075      0.00000
      5       0.4678      0.00000
      6       0.0363      0.00000
      7       0.3606      0.00000
      8       0.4574      0.00000
      9      -0.0124      0.00000
     10       0.0738      0.00000
     11      -0.1402      0.00000
     12      -0.2467      0.00000
     13      -0.5766      0.00000
     14      -0.1982      0.00000
     15      -0.3659      0.00000
     16      -0.0996      0.00000
     17       0.4898      0.00000
     18      -0.5800      0.00000
     19      -0.1120      0.00000
     20       1.2727      0.00000
     21       0.8827      0.00000
     22      -0.9301      0.00000
     23      -2.8908      0.00000
     24       1.9881      0.00000
     25       1.8149      0.00000
     26      -3.3288      0.00000
     27       1.4388      0.00000
     28      -0.6799      0.00000
     29       0.1596      0.00000
     30       0.3277      0.00000
     31       0.8627      0.00000
     32       1.3997      0.00000
     33      -0.7634      0.00000
     34      -0.3985      0.00000
     35       2.0069      0.00000
     36      -1.8783      0.00000
     37       0.6836      0.00000
     38       2.1205      0.00000
     39      -3.9656      0.00000
     40       0.4410      0.00000

 k-point 128 :       0.3636   -0.5455    0.1667
  band No.  band energies     occupation 
      1       0.1387      0.00000
      2      -0.1020      0.00000
      3      -0.0336      0.00000
      4      -0.1800      0.00000
      5       0.5140      0.00000
      6       0.1771      0.00000
      7      -0.2282      0.00000
      8       0.6859      0.00000
      9      -0.0079      0.00000
     10       0.1316      0.00000
     11      -0.1068      0.00000
     12      -0.0722      0.00000
     13      -0.2878      0.00000
     14      -0.4931      0.00000
     15      -0.5033      0.00000
     16       0.2716      0.00000
     17       0.2351      0.00000
     18      -0.6123      0.00000
     19      -0.1050      0.00000
     20       0.6648      0.00000
     21       0.6461      0.00000
     22       0.2145      0.00000
     23      -1.0356      0.00000
     24      -0.3915      0.00000
     25       1.7271      0.00000
     26      -1.9939      0.00000
     27       0.9997      0.00000
     28      -1.1515      0.00000
     29      -0.0475      0.00000
     30      -0.4451      0.00000
     31       1.4477      0.00000
     32       0.8464      0.00000
     33      -0.3114      0.00000
     34      -0.3409      0.00000
     35       0.6337      0.00000
     36       1.5587      0.00000
     37       0.6813      0.00000
     38      -0.5109      0.00000
     39      -2.5296      0.00000
     40       0.2904      0.00000

 k-point 129 :      -0.5455    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.1319      0.00000
      2      -0.0924      0.00000
      3      -0.0668      0.00000
      4       0.2584      0.00000
      5       0.2901      0.00000
      6      -0.1514      0.00000
      7      -0.1179      0.00000
      8       0.5386      0.00000
      9       0.0122      0.00000
     10       0.0425      0.00000
     11       0.0060      0.00000
     12      -0.0539      0.00000
     13      -0.1603      0.00000
     14      -0.5123      0.00000
     15      -0.2858      0.00000
     16       0.3068      0.00000
     17      -0.2530      0.00000
     18      -0.4566      0.00000
     19       0.0903      0.00000
     20      -0.2098      0.00000
     21       1.4627      0.00000
     22       0.4903      0.00000
     23      -1.2387      0.00000
     24      -0.5177      0.00000
     25       0.2048      0.00000
     26      -0.4985      0.00000
     27       1.2926      0.00000
     28      -0.6999      0.00000
     29      -1.4467      0.00000
     30       0.8771      0.00000
     31       0.9660      0.00000
     32       0.2408      0.00000
     33      -0.3109      0.00000
     34      -0.5924      0.00000
     35       1.9445      0.00000
     36       1.0982      0.00000
     37       0.3989      0.00000
     38      -1.4718      0.00000
     39      -0.7446      0.00000
     40       0.0289      0.00000

 k-point 130 :      -0.4545    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.1228      0.00000
      2      -0.0799      0.00000
      3      -0.0259      0.00000
      4       0.2117      0.00000
      5       0.3799      0.00000
      6      -0.4675      0.00000
      7       0.1918      0.00000
      8       0.4735      0.00000
      9       0.0445      0.00000
     10       0.0216      0.00000
     11      -0.0268      0.00000
     12      -0.0143      0.00000
     13      -0.3557      0.00000
     14      -0.4237      0.00000
     15       0.2917      0.00000
     16      -0.2340      0.00000
     17      -0.4670      0.00000
     18      -0.2684      0.00000
     19       0.1484      0.00000
     20      -0.2316      0.00000
     21       1.3596      0.00000
     22       0.6435      0.00000
     23      -1.4687      0.00000
     24       0.2337      0.00000
     25      -0.1211      0.00000
     26      -0.3718      0.00000
     27       0.4447      0.00000
     28      -0.8112      0.00000
     29       0.5782      0.00000
     30      -0.4988      0.00000
     31       0.9723      0.00000
     32      -0.4495      0.00000
     33       0.3637      0.00000
     34       1.1196      0.00000
     35      -0.3755      0.00000
     36       1.2459      0.00000
     37       0.2451      0.00000
     38      -1.0751      0.00000
     39       0.0970      0.00000
     40      -0.6922      0.00000

 k-point 131 :      -0.3636    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.1154      0.00000
      2      -0.0696      0.00000
      3       0.0072      0.00000
      4       0.0283      0.00000
      5       0.4263      0.00000
      6      -0.0558      0.00000
      7       0.2916      0.00000
      8       0.2920      0.00000
      9       0.0037      0.00000
     10       0.0752      0.00000
     11      -0.0629      0.00000
     12      -0.0421      0.00000
     13      -0.6755      0.00000
     14      -0.2813      0.00000
     15       0.2185      0.00000
     16      -0.3941      0.00000
     17      -0.4558      0.00000
     18      -0.0329      0.00000
     19       0.0245      0.00000
     20       0.2871      0.00000
     21       0.6164      0.00000
     22       0.6713      0.00000
     23      -1.5183      0.00000
     24       1.1610      0.00000
     25       0.9768      0.00000
     26      -1.8451      0.00000
     27      -0.2364      0.00000
     28      -1.4560      0.00000
     29       1.5482      0.00000
     30       0.2794      0.00000
     31       0.4301      0.00000
     32       1.1800      0.00000
     33       0.4024      0.00000
     34      -0.6181      0.00000
     35      -0.6035      0.00000
     36      -0.1321      0.00000
     37       1.3725      0.00000
     38      -2.9395      0.00000
     39       1.8811      0.00000
     40      -0.5952      0.00000

 k-point 132 :      -0.2727    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.1124      0.00000
      2      -0.0650      0.00000
      3      -0.0362      0.00000
      4      -0.1446      0.00000
      5       0.3905      0.00000
      6       0.3718      0.00000
      7       0.3846      0.00000
      8       0.2380      0.00000
      9      -0.0266      0.00000
     10       0.0813      0.00000
     11      -0.0754      0.00000
     12      -0.1207      0.00000
     13      -0.8500      0.00000
     14      -0.0221      0.00000
     15      -0.3155      0.00000
     16      -0.3255      0.00000
     17       0.1598      0.00000
     18      -0.3407      0.00000
     19      -0.0905      0.00000
     20       1.0666      0.00000
     21       0.1825      0.00000
     22      -0.1949      0.00000
     23      -1.4516      0.00000
     24       1.4041      0.00000
     25       1.2025      0.00000
     26      -2.0789      0.00000
     27      -0.2248      0.00000
     28      -0.6473      0.00000
     29       0.6890      0.00000
     30      -0.2704      0.00000
     31       1.2043      0.00000
     32       1.8974      0.00000
     33      -0.0077      0.00000
     34      -0.4496      0.00000
     35      -0.5313      0.00000
     36       0.1826      0.00000
     37      -0.6355      0.00000
     38      -0.1146      0.00000
     39      -0.6060      0.00000
     40      -0.7756      0.00000

 k-point 133 :      -0.1818    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.1145      0.00000
      2      -0.0672      0.00000
      3      -0.1285      0.00000
      4      -0.0832      0.00000
      5       0.4346      0.00000
      6       0.5149      0.00000
      7       0.0766      0.00000
      8       0.2761      0.00000
      9       0.0349      0.00000
     10       0.1056      0.00000
     11      -0.0667      0.00000
     12      -0.1416      0.00000
     13      -0.6436      0.00000
     14      -0.2792      0.00000
     15      -0.3322      0.00000
     16      -0.2134      0.00000
     17       0.3979      0.00000
     18      -0.5972      0.00000
     19      -0.1122      0.00000
     20       1.1600      0.00000
     21       0.1995      0.00000
     22      -0.2688      0.00000
     23      -0.5541      0.00000
     24       0.2808      0.00000
     25       1.0676      0.00000
     26      -1.9367      0.00000
     27       0.3671      0.00000
     28      -0.7695      0.00000
     29      -0.1750      0.00000
     30      -0.0099      0.00000
     31       1.9014      0.00000
     32       1.3343      0.00000
     33       0.0862      0.00000
     34      -0.1242      0.00000
     35       0.0761      0.00000
     36      -0.8967      0.00000
     37      -0.0961      0.00000
     38      -0.1842      0.00000
     39      -0.7075      0.00000
     40      -0.8288      0.00000

 k-point 134 :      -0.0909    0.4545    0.1667
  band No.  band energies     occupation 
      1       0.1210      0.00000
      2      -0.0754      0.00000
      3      -0.1293      0.00000
      4       0.2140      0.00000
      5       0.3600      0.00000
      6       0.2527      0.00000
      7      -0.2888      0.00000
      8       0.4576      0.00000
      9      -0.0118      0.00000
     10       0.1282      0.00000
     11      -0.0452      0.00000
     12      -0.0807      0.00000
     13      -0.3928      0.00000
     14      -0.3748      0.00000
     15      -0.0459      0.00000
     16      -0.1386      0.00000
     17       0.0534      0.00000
     18      -0.6423      0.00000
     19      -0.0254      0.00000
     20       0.4996      0.00000
     21       0.4719      0.00000
     22       0.6966      0.00000
     23      -0.9904      0.00000
     24       0.3698      0.00000
     25       0.3362      0.00000
     26      -1.6443      0.00000
     27       1.2693      0.00000
     28      -1.4880      0.00000
     29      -0.6427      0.00000
     30       1.3696      0.00000
     31       0.8086      0.00000
     32       0.8912      0.00000
     33      -0.0926      0.00000
     34      -0.4503      0.00000
     35      -0.0313      0.00000
     36       0.9460      0.00000
     37       1.1530      0.00000
     38      -2.8523      0.00000
     39       0.9862      0.00000
     40      -0.7091      0.00000

 k-point 135 :      -0.4545   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.1821      0.00000
      2       0.0863      0.00000
      3       0.3212      0.00000
      4      -0.5641      0.00000
      5      -0.7460      0.00000
      6       0.0454      0.00000
      7       0.7743      0.00000
      8      -0.9346      0.00000
      9      -0.0206      0.00000
     10       0.1086      0.00000
     11       0.0246      0.00000
     12       0.0390      0.00000
     13       0.2543      0.00000
     14       0.7397      0.00000
     15      -0.9327      0.00000
     16       0.5128      0.00000
     17       0.4583      0.00000
     18       0.8133      0.00000
     19       0.2028      0.00000
     20       0.7544      0.00000
     21      -1.7376      0.00000
     22      -1.4209      0.00000
     23       1.6022      0.00000
     24       0.1011      0.00000
     25       0.4642      0.00000
     26       0.6675      0.00000
     27      -1.6110      0.00000
     28      -0.8614      0.00000
     29       0.5410      0.00000
     30       0.5873      0.00000
     31      -0.3278      0.00000
     32      -0.1184      0.00000
     33       0.2957      0.00000
     34      -0.9272      0.00000
     35       0.3136      0.00000
     36      -2.3388      0.00000
     37       2.3034      0.00000
     38      -1.5131      0.00000
     39       1.1357      0.00000
     40       1.7364      0.00000

 k-point 136 :      -0.3636   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.1280      0.00000
      2       0.0487      0.00000
      3       0.4465      0.00000
      4      -0.5812      0.00000
      5      -0.6610      0.00000
      6      -0.2337      0.00000
      7       1.1412      0.00000
      8      -0.8814      0.00000
      9       0.0919      0.00000
     10       0.0149      0.00000
     11       0.0477      0.00000
     12      -0.0807      0.00000
     13       0.2388      0.00000
     14       0.5680      0.00000
     15      -0.8536      0.00000
     16       0.4120      0.00000
     17       0.2776      0.00000
     18       0.8239      0.00000
     19       0.3440      0.00000
     20       0.2814      0.00000
     21      -1.4160      0.00000
     22      -1.1668      0.00000
     23       1.3652      0.00000
     24      -0.2199      0.00000
     25       0.4973      0.00000
     26       0.8946      0.00000
     27      -1.4679      0.00000
     28      -0.4062      0.00000
     29       0.2656      0.00000
     30       0.4235      0.00000
     31      -0.5339      0.00000
     32      -0.5464      0.00000
     33       0.5409      0.00000
     34      -1.5546      0.00000
     35       0.2488      0.00000
     36      -0.6795      0.00000
     37       1.9628      0.00000
     38      -0.1744      0.00000
     39       1.3732      0.00000
     40      -0.4105      0.00000

 k-point 137 :      -0.2727   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0782      0.00000
      2       0.0252      0.00000
      3       0.5253      0.00000
      4      -0.4986      0.00000
      5      -0.5592      0.00000
      6      -0.3381      0.00000
      7       1.1828      0.00000
      8      -0.7265      0.00000
      9       0.0272      0.00000
     10       0.0220      0.00000
     11       0.0551      0.00000
     12      -0.0890      0.00000
     13      -0.0910      0.00000
     14       0.4932      0.00000
     15      -0.3497      0.00000
     16       0.2100      0.00000
     17       0.5962      0.00000
     18       0.0603      0.00000
     19       0.3120      0.00000
     20       0.1314      0.00000
     21      -1.2924      0.00000
     22      -0.5284      0.00000
     23       0.5404      0.00000
     24      -0.4711      0.00000
     25       0.3194      0.00000
     26       1.5879      0.00000
     27      -1.0600      0.00000
     28       0.0233      0.00000
     29      -0.2189      0.00000
     30      -0.7907      0.00000
     31      -0.2047      0.00000
     32      -0.7809      0.00000
     33       1.3760      0.00000
     34      -0.7093      0.00000
     35       0.2266      0.00000
     36       0.7299      0.00000
     37      -1.1597      0.00000
     38       2.0858      0.00000
     39       0.9494      0.00000
     40       2.0242      0.00000

 k-point 138 :      -0.1818   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0403      0.00000
      2       0.0143      0.00000
      3       0.5646      0.00000
      4      -0.3945      0.00000
      5      -0.4674      0.00000
      6      -0.3274      0.00000
      7       1.0289      0.00000
      8      -0.5574      0.00000
      9       0.0182      0.00000
     10       0.0098      0.00000
     11       0.0411      0.00000
     12      -0.0746      0.00000
     13      -0.2468      0.00000
     14       0.2997      0.00000
     15       0.1108      0.00000
     16      -0.0260      0.00000
     17       0.3729      0.00000
     18      -0.1119      0.00000
     19       0.2046      0.00000
     20       0.0847      0.00000
     21      -0.5264      0.00000
     22      -0.3413      0.00000
     23      -0.9571      0.00000
     24      -0.3329      0.00000
     25       0.3201      0.00000
     26       2.2188      0.00000
     27      -0.3739      0.00000
     28      -0.0146      0.00000
     29      -0.8277      0.00000
     30      -0.9893      0.00000
     31      -0.6614      0.00000
     32       0.0961      0.00000
     33      -0.9427      0.00000
     34       2.2196      0.00000
     35      -0.0838      0.00000
     36       2.1179      0.00000
     37       1.6666      0.00000
     38      -1.3782      0.00000
     39      -1.2205      0.00000
     40       1.4575      0.00000

 k-point 139 :      -0.0909   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0141      0.00000
      2       0.0075      0.00000
      3       0.4425      0.00000
      4      -0.1999      0.00000
      5      -0.4076      0.00000
      6      -0.1696      0.00000
      7       0.7693      0.00000
      8      -0.4410      0.00000
      9       0.0081      0.00000
     10       0.0011      0.00000
     11       0.0255      0.00000
     12      -0.0496      0.00000
     13      -0.1497      0.00000
     14       0.0749      0.00000
     15       0.3749      0.00000
     16      -0.2589      0.00000
     17       0.2064      0.00000
     18      -0.1732      0.00000
     19       0.0655      0.00000
     20       0.0549      0.00000
     21      -0.0838      0.00000
     22      -0.0902      0.00000
     23      -1.2768      0.00000
     24      -1.2212      0.00000
     25       0.4445      0.00000
     26       2.5234      0.00000
     27       0.8265      0.00000
     28      -1.0320      0.00000
     29      -1.3823      0.00000
     30      -0.3876      0.00000
     31       1.1499      0.00000
     32      -0.1639      0.00000
     33       0.2601      0.00000
     34       0.3502      0.00000
     35      -0.8431      0.00000
     36       1.1752      0.00000
     37      -1.2279      0.00000
     38       2.5332      0.00000
     39      -1.3310      0.00000
     40      -0.6137      0.00000

 k-point 140 :      -0.0000    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0071      0.00000
      2      -0.0037      0.00000
      3      -0.2212      0.00000
      4       0.1000      0.00000
      5       0.2038      0.00000
      6       0.0848      0.00000
      7      -0.3846      0.00000
      8       0.2205      0.00000
      9      -0.0040      0.00000
     10      -0.0005      0.00000
     11      -0.0127      0.00000
     12       0.0248      0.00000
     13       0.0749      0.00000
     14      -0.0374      0.00000
     15      -0.1874      0.00000
     16       0.1295      0.00000
     17      -0.1031      0.00000
     18       0.0867      0.00000
     19      -0.0327      0.00000
     20      -0.0274      0.00000
     21       0.0419      0.00000
     22       0.0451      0.00000
     23       0.6384      0.00000
     24       0.6107      0.00000
     25      -0.2223      0.00000
     26      -1.2617      0.00000
     27      -0.4132      0.00000
     28       0.5160      0.00000
     29       0.6911      0.00000
     30       0.1938      0.00000
     31      -0.5749      0.00000
     32       0.0820      0.00000
     33      -0.1300      0.00000
     34      -0.1751      0.00000
     35       0.4215      0.00000
     36      -0.5876      0.00000
     37       0.6140      0.00000
     38      -1.2666      0.00000
     39       0.6655      0.00000
     40       0.3069      0.00000

 k-point 141 :      -0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.1475      0.00000
      2       0.0675      0.00000
      3       0.3797      0.00000
      4      -0.5348      0.00000
      5      -0.6354      0.00000
      6      -0.1401      0.00000
      7       0.4614      0.00000
      8      -0.4586      0.00000
      9       0.0554      0.00000
     10       0.0444      0.00000
     11       0.0793      0.00000
     12      -0.0373      0.00000
     13       0.2714      0.00000
     14       0.6500      0.00000
     15      -0.3319      0.00000
     16      -0.1669      0.00000
     17       0.2289      0.00000
     18       0.8757      0.00000
     19       0.2919      0.00000
     20       0.4048      0.00000
     21      -1.1147      0.00000
     22      -1.3678      0.00000
     23       1.2503      0.00000
     24       0.1055      0.00000
     25      -0.0112      0.00000
     26       0.2768      0.00000
     27      -0.6655      0.00000
     28      -0.6516      0.00000
     29       0.4828      0.00000
     30       0.7092      0.00000
     31      -0.3885      0.00000
     32      -1.1951      0.00000
     33       0.6260      0.00000
     34       0.8926      0.00000
     35      -1.5701      0.00000
     36      -0.7852      0.00000
     37       2.4445      0.00000
     38      -0.8250      0.00000
     39      -1.2134      0.00000
     40       0.9419      0.00000

 k-point 142 :      -0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0932      0.00000
      2       0.0347      0.00000
      3       0.4498      0.00000
      4      -0.4319      0.00000
      5      -0.5194      0.00000
      6      -0.5428      0.00000
      7       0.8334      0.00000
      8      -0.3420      0.00000
      9       0.0306      0.00000
     10       0.0358      0.00000
     11       0.0670      0.00000
     12      -0.0802      0.00000
     13       0.1051      0.00000
     14       0.5350      0.00000
     15      -0.5893      0.00000
     16       0.2790      0.00000
     17      -0.0085      0.00000
     18       0.7442      0.00000
     19       0.2741      0.00000
     20       0.1429      0.00000
     21      -1.2541      0.00000
     22      -0.5111      0.00000
     23       0.8668      0.00000
     24       0.0851      0.00000
     25      -0.2348      0.00000
     26       0.4077      0.00000
     27      -0.4543      0.00000
     28      -0.1628      0.00000
     29       0.3447      0.00000
     30       0.2789      0.00000
     31      -0.5606      0.00000
     32      -1.5276      0.00000
     33       0.9468      0.00000
     34       0.3151      0.00000
     35       0.8544      0.00000
     36      -1.3633      0.00000
     37      -0.3561      0.00000
     38       1.5325      0.00000
     39       0.4558      0.00000
     40       0.9432      0.00000

 k-point 143 :      -0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0511      0.00000
      2       0.0191      0.00000
      3       0.4632      0.00000
      4      -0.2837      0.00000
      5      -0.4434      0.00000
      6      -0.4645      0.00000
      7       0.7629      0.00000
      8      -0.2694      0.00000
      9       0.0305      0.00000
     10       0.0066      0.00000
     11       0.0481      0.00000
     12      -0.0721      0.00000
     13      -0.2083      0.00000
     14       0.3860      0.00000
     15      -0.0025      0.00000
     16      -0.0258      0.00000
     17       0.2283      0.00000
     18       0.1559      0.00000
     19       0.1892      0.00000
     20       0.0739      0.00000
     21      -0.6604      0.00000
     22      -0.2210      0.00000
     23      -0.1412      0.00000
     24      -0.0531      0.00000
     25       0.0353      0.00000
     26       0.8492      0.00000
     27      -0.4816      0.00000
     28       0.3526      0.00000
     29       0.0309      0.00000
     30      -0.5662      0.00000
     31      -1.2256      0.00000
     32      -0.9384      0.00000
     33       1.5873      0.00000
     34      -0.2795      0.00000
     35       0.8205      0.00000
     36       1.1912      0.00000
     37      -1.0997      0.00000
     38       0.8265      0.00000
     39       0.5391      0.00000
     40       0.4722      0.00000

 k-point 144 :      -0.1818    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0203      0.00000
      2       0.0112      0.00000
      3       0.3567      0.00000
      4      -0.1404      0.00000
      5      -0.4847      0.00000
      6      -0.2563      0.00000
      7       0.6646      0.00000
      8      -0.1542      0.00000
      9       0.0294      0.00000
     10      -0.0188      0.00000
     11       0.0233      0.00000
     12      -0.0497      0.00000
     13      -0.2162      0.00000
     14       0.1306      0.00000
     15       0.2241      0.00000
     16      -0.1713      0.00000
     17       0.2819      0.00000
     18      -0.1313      0.00000
     19       0.0697      0.00000
     20       0.0539      0.00000
     21      -0.1062      0.00000
     22      -0.0056      0.00000
     23      -0.7781      0.00000
     24      -0.4455      0.00000
     25       0.4977      0.00000
     26       0.8608      0.00000
     27       0.9450      0.00000
     28      -0.8998      0.00000
     29      -0.1408      0.00000
     30      -1.1390      0.00000
     31       0.2099      0.00000
     32      -0.0302      0.00000
     33      -0.3140      0.00000
     34       0.5376      0.00000
     35       0.1137      0.00000
     36       1.9420      0.00000
     37       0.7466      0.00000
     38      -1.0108      0.00000
     39      -0.8183      0.00000
     40      -0.4934      0.00000

 k-point 145 :      -0.0909    0.0909    0.3333
  band No.  band energies     occupation 
      1      -0.0007      0.00000
      2       0.0045      0.00000
      3       0.1243      0.00000
      4      -0.1241      0.00000
      5       0.2250      0.00000
      6      -0.3800      0.00000
      7       0.0253      0.00000
      8       0.2020      0.00000
      9       0.0098      0.00000
     10      -0.0171      0.00000
     11      -0.0049      0.00000
     12      -0.0094      0.00000
     13      -0.0875      0.00000
     14      -0.0125      0.00000
     15      -0.2173      0.00000
     16       0.2351      0.00000
     17       0.0323      0.00000
     18      -0.0163      0.00000
     19      -0.0465      0.00000
     20       0.0312      0.00000
     21       0.0729      0.00000
     22       0.0360      0.00000
     23      -0.1233      0.00000
     24       1.1915      0.00000
     25      -0.4679      0.00000
     26      -0.9083      0.00000
     27       0.4770      0.00000
     28      -0.3072      0.00000
     29       0.1653      0.00000
     30      -0.3345      0.00000
     31      -0.0948      0.00000
     32       0.5918      0.00000
     33      -0.4079      0.00000
     34      -0.1285      0.00000
     35       0.4733      0.00000
     36       0.3783      0.00000
     37       0.5386      0.00000
     38      -1.3567      0.00000
     39      -0.1030      0.00000
     40       0.3329      0.00000

 k-point 146 :      -0.0000    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0202      0.00000
      2      -0.0070      0.00000
      3      -0.2823      0.00000
      4       0.1973      0.00000
      5       0.2337      0.00000
      6       0.1637      0.00000
      7      -0.5144      0.00000
      8       0.2788      0.00000
      9      -0.0091      0.00000
     10      -0.0049      0.00000
     11      -0.0205      0.00000
     12       0.0373      0.00000
     13       0.1234      0.00000
     14      -0.1498      0.00000
     15      -0.0554      0.00000
     16       0.0131      0.00000
     17      -0.1864      0.00000
     18       0.0560      0.00000
     19      -0.1023      0.00000
     20      -0.0423      0.00000
     21       0.2632      0.00000
     22       0.1707      0.00000
     23       0.4785      0.00000
     24       0.1665      0.00000
     25      -0.1600      0.00000
     26      -1.1094      0.00000
     27       0.1870      0.00000
     28       0.0073      0.00000
     29       0.4138      0.00000
     30       0.4947      0.00000
     31       0.3307      0.00000
     32      -0.0480      0.00000
     33       0.4714      0.00000
     34      -1.1098      0.00000
     35       0.0419      0.00000
     36      -1.0590      0.00000
     37      -0.8333      0.00000
     38       0.6891      0.00000
     39       0.6102      0.00000
     40      -0.7287      0.00000

 k-point 147 :       0.0909    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0115      0.00000
      2      -0.0149      0.00000
      3      -0.1530      0.00000
      4       0.1015      0.00000
      5       0.3730      0.00000
      6       0.0611      0.00000
      7      -0.6267      0.00000
      8       0.0356      0.00000
      9      -0.0214      0.00000
     10       0.0448      0.00000
     11      -0.0158      0.00000
     12       0.0666      0.00000
     13       0.3345      0.00000
     14       0.0064      0.00000
     15       0.1956      0.00000
     16      -0.0619      0.00000
     17      -0.2166      0.00000
     18      -0.1331      0.00000
     19       0.0153      0.00000
     20      -0.1765      0.00000
     21       0.1409      0.00000
     22       0.3432      0.00000
     23      -0.1057      0.00000
     24       0.4116      0.00000
     25      -0.4726      0.00000
     26      -0.6874      0.00000
     27       0.9532      0.00000
     28      -0.4859      0.00000
     29       0.3628      0.00000
     30      -0.2646      0.00000
     31      -0.2620      0.00000
     32      -0.1893      0.00000
     33      -0.5813      0.00000
     34       0.5148      0.00000
     35       0.6963      0.00000
     36       0.0716      0.00000
     37       0.8821      0.00000
     38      -0.7121      0.00000
     39       0.0991      0.00000
     40      -1.2427      0.00000

 k-point 148 :      -0.5455    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.1482      0.00000
      2       0.0884      0.00000
      3       0.2578      0.00000
      4      -0.3330      0.00000
      5      -0.4942      0.00000
      6       0.0669      0.00000
      7       0.1328      0.00000
      8      -0.6202      0.00000
      9       0.0566      0.00000
     10       0.1095      0.00000
     11       0.1353      0.00000
     12      -0.0231      0.00000
     13       0.1847      0.00000
     14       0.7507      0.00000
     15       0.0607      0.00000
     16       0.0048      0.00000
     17      -0.5954      0.00000
     18       0.8120      0.00000
     19       0.2878      0.00000
     20       0.2685      0.00000
     21      -0.9615      0.00000
     22      -0.6776      0.00000
     23       1.0284      0.00000
     24      -0.3578      0.00000
     25      -0.1682      0.00000
     26       0.1759      0.00000
     27      -0.0514      0.00000
     28      -0.5269      0.00000
     29       0.2180      0.00000
     30       1.1525      0.00000
     31      -1.6139      0.00000
     32      -0.4574      0.00000
     33       1.2329      0.00000
     34      -0.4063      0.00000
     35      -0.0829      0.00000
     36      -0.8972      0.00000
     37       2.8084      0.00000
     38      -0.5746      0.00000
     39      -1.4602      0.00000
     40      -0.7877      0.00000

 k-point 149 :      -0.4545    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0919      0.00000
      2       0.0456      0.00000
      3       0.3035      0.00000
      4      -0.1802      0.00000
      5      -0.6328      0.00000
      6      -0.2672      0.00000
      7       0.3504      0.00000
      8      -0.1925      0.00000
      9       0.0023      0.00000
     10       0.0623      0.00000
     11       0.1059      0.00000
     12      -0.0373      0.00000
     13       0.1853      0.00000
     14       0.5787      0.00000
     15      -0.0863      0.00000
     16      -0.2134      0.00000
     17      -0.3419      0.00000
     18       0.7836      0.00000
     19       0.1272      0.00000
     20       0.0406      0.00000
     21      -0.6069      0.00000
     22      -0.1629      0.00000
     23       0.7327      0.00000
     24      -0.2263      0.00000
     25      -0.5872      0.00000
     26      -0.3106      0.00000
     27       0.5049      0.00000
     28      -0.0845      0.00000
     29       0.3843      0.00000
     30       0.4673      0.00000
     31      -1.4380      0.00000
     32      -1.3228      0.00000
     33       0.9966      0.00000
     34       0.7330      0.00000
     35       0.5462      0.00000
     36      -0.4458      0.00000
     37       1.4318      0.00000
     38      -0.4368      0.00000
     39      -1.1080      0.00000
     40      -0.0625      0.00000

 k-point 150 :      -0.3636    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0489      0.00000
      2       0.0243      0.00000
      3       0.1853      0.00000
      4       0.0633      0.00000
      5      -0.4739      0.00000
      6      -0.4829      0.00000
      7       0.5758      0.00000
      8      -0.1469      0.00000
      9       0.0327      0.00000
     10       0.0211      0.00000
     11       0.0654      0.00000
     12      -0.0506      0.00000
     13      -0.0441      0.00000
     14       0.3789      0.00000
     15      -0.0073      0.00000
     16      -0.1920      0.00000
     17      -0.2450      0.00000
     18       0.5627      0.00000
     19       0.0388      0.00000
     20      -0.0079      0.00000
     21      -0.2929      0.00000
     22       0.2697      0.00000
     23       1.2676      0.00000
     24      -0.9381      0.00000
     25      -1.0945      0.00000
     26      -0.1065      0.00000
     27       0.2984      0.00000
     28       0.5700      0.00000
     29       0.3127      0.00000
     30       0.0777      0.00000
     31      -1.3236      0.00000
     32      -1.8943      0.00000
     33       1.3454      0.00000
     34       0.7191      0.00000
     35       1.5703      0.00000
     36      -0.0825      0.00000
     37      -0.9779      0.00000
     38       0.8777      0.00000
     39       0.5925      0.00000
     40      -0.4063      0.00000

 k-point 151 :      -0.2727    0.1818    0.3333
  band No.  band energies     occupation 
      1      -0.0171      0.00000
      2       0.0148      0.00000
      3       0.1473      0.00000
      4       0.0335      0.00000
      5      -0.1446      0.00000
      6      -0.5884      0.00000
      7       0.5886      0.00000
      8      -0.0129      0.00000
      9       0.0398      0.00000
     10      -0.0295      0.00000
     11       0.0271      0.00000
     12      -0.0390      0.00000
     13      -0.2443      0.00000
     14       0.1422      0.00000
     15       0.1444      0.00000
     16      -0.2634      0.00000
     17       0.4167      0.00000
     18      -0.1765      0.00000
     19      -0.0252      0.00000
     20       0.0006      0.00000
     21       0.1231      0.00000
     22       0.4006      0.00000
     23      -0.2218      0.00000
     24      -0.2421      0.00000
     25      -0.5691      0.00000
     26      -0.0670      0.00000
     27       0.3812      0.00000
     28       0.5388      0.00000
     29       0.0682      0.00000
     30      -0.0286      0.00000
     31      -0.6680      0.00000
     32      -0.4608      0.00000
     33      -0.8980      0.00000
     34       0.6604      0.00000
     35       1.4687      0.00000
     36       0.5405      0.00000
     37      -0.7424      0.00000
     38      -0.0995      0.00000
     39       0.6615      0.00000
     40      -1.5859      0.00000

 k-point 152 :      -0.1818    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0053      0.00000
      2       0.0086      0.00000
      3       0.1161      0.00000
      4      -0.1766      0.00000
      5       0.2864      0.00000
      6      -0.4497      0.00000
      7       0.2046      0.00000
      8       0.2282      0.00000
      9       0.0056      0.00000
     10      -0.0331      0.00000
     11      -0.0058      0.00000
     12      -0.0156      0.00000
     13      -0.1994      0.00000
     14       0.0045      0.00000
     15      -0.3116      0.00000
     16       0.1687      0.00000
     17       0.1770      0.00000
     18      -0.0939      0.00000
     19      -0.1129      0.00000
     20       0.0389      0.00000
     21       0.2672      0.00000
     22       0.3792      0.00000
     23      -0.5075      0.00000
     24       0.6086      0.00000
     25      -0.5019      0.00000
     26      -0.6218      0.00000
     27       0.6137      0.00000
     28      -0.0902      0.00000
     29      -0.1395      0.00000
     30       0.4406      0.00000
     31       0.8926      0.00000
     32      -0.4463      0.00000
     33       0.8892      0.00000
     34      -1.2485      0.00000
     35       0.1164      0.00000
     36      -0.2090      0.00000
     37      -0.9614      0.00000
     38       0.2128      0.00000
     39      -0.0597      0.00000
     40       0.0170      0.00000

 k-point 153 :      -0.0909    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0179      0.00000
      2       0.0015      0.00000
      3      -0.1821      0.00000
      4      -0.0153      0.00000
      5      -0.1998      0.00000
      6       0.5716      0.00000
      7      -0.1592      0.00000
      8       0.2137      0.00000
      9      -0.0107      0.00000
     10      -0.0251      0.00000
     11      -0.0182      0.00000
     12       0.0072      0.00000
     13      -0.0559      0.00000
     14      -0.1506      0.00000
     15      -0.5398      0.00000
     16       0.4798      0.00000
     17      -0.1744      0.00000
     18       0.1183      0.00000
     19      -0.1620      0.00000
     20       0.0363      0.00000
     21       0.2726      0.00000
     22       0.1318      0.00000
     23      -0.2529      0.00000
     24       1.5368      0.00000
     25      -0.7095      0.00000
     26      -1.1727      0.00000
     27      -0.4090      0.00000
     28       0.5484      0.00000
     29       0.0676      0.00000
     30       0.9668      0.00000
     31       0.6849      0.00000
     32      -0.0130      0.00000
     33       0.2724      0.00000
     34      -0.4393      0.00000
     35      -0.1195      0.00000
     36      -2.7288      0.00000
     37      -0.2977      0.00000
     38       0.7061      0.00000
     39       0.2288      0.00000
     40       1.2623      0.00000

 k-point 154 :      -0.0000    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0392      0.00000
      2      -0.0125      0.00000
      3      -0.2626      0.00000
      4       0.2494      0.00000
      5       0.2796      0.00000
      6       0.1690      0.00000
      7      -0.5913      0.00000
      8       0.3633      0.00000
      9      -0.0136      0.00000
     10      -0.0110      0.00000
     11      -0.0275      0.00000
     12       0.0445      0.00000
     13       0.0455      0.00000
     14      -0.2465      0.00000
     15       0.1748      0.00000
     16      -0.1049      0.00000
     17      -0.2980      0.00000
     18      -0.0301      0.00000
     19      -0.1560      0.00000
     20      -0.0656      0.00000
     21       0.6462      0.00000
     22       0.2642      0.00000
     23      -0.2702      0.00000
     24       0.2356      0.00000
     25      -0.1597      0.00000
     26      -0.7939      0.00000
     27       0.5300      0.00000
     28      -0.0116      0.00000
     29       0.1095      0.00000
     30       0.3954      0.00000
     31       0.1024      0.00000
     32       0.3905      0.00000
     33      -0.6880      0.00000
     34       0.3547      0.00000
     35      -0.1133      0.00000
     36      -0.3649      0.00000
     37       0.5799      0.00000
     38      -1.0429      0.00000
     39      -0.4747      0.00000
     40      -1.0624      0.00000

 k-point 155 :       0.0909    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0303      0.00000
      2      -0.0191      0.00000
      3      -0.1910      0.00000
      4       0.1891      0.00000
      5       0.3380      0.00000
      6       0.1936      0.00000
      7      -0.6558      0.00000
      8       0.0208      0.00000
      9      -0.0522      0.00000
     10       0.0259      0.00000
     11      -0.0113      0.00000
     12       0.1055      0.00000
     13       0.2128      0.00000
     14      -0.0631      0.00000
     15       0.4493      0.00000
     16      -0.0786      0.00000
     17      -0.3496      0.00000
     18      -0.2792      0.00000
     19      -0.0826      0.00000
     20      -0.3289      0.00000
     21       0.6467      0.00000
     22       0.5676      0.00000
     23      -0.4558      0.00000
     24       0.7599      0.00000
     25      -1.3446      0.00000
     26      -0.5870      0.00000
     27       1.0779      0.00000
     28      -0.2492      0.00000
     29       0.6865      0.00000
     30       0.3320      0.00000
     31      -1.3443      0.00000
     32      -0.1708      0.00000
     33       0.3511      0.00000
     34       0.7023      0.00000
     35      -0.0617      0.00000
     36       0.7217      0.00000
     37       0.7115      0.00000
     38      -1.0207      0.00000
     39       0.4478      0.00000
     40      -1.5758      0.00000

 k-point 156 :       0.1818    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0119      0.00000
      2      -0.0181      0.00000
      3      -0.1555      0.00000
      4       0.0938      0.00000
      5       0.4317      0.00000
      6       0.0167      0.00000
      7      -0.5626      0.00000
      8      -0.2165      0.00000
      9      -0.0039      0.00000
     10      -0.0361      0.00000
     11      -0.0075      0.00000
     12       0.1411      0.00000
     13       0.4262      0.00000
     14       0.0031      0.00000
     15       0.2289      0.00000
     16       0.3277      0.00000
     17      -0.2594      0.00000
     18      -0.4238      0.00000
     19       0.0141      0.00000
     20      -0.5668      0.00000
     21       0.4601      0.00000
     22       0.6117      0.00000
     23      -0.5356      0.00000
     24       0.8857      0.00000
     25      -1.5597      0.00000
     26      -0.0491      0.00000
     27       1.3583      0.00000
     28      -0.9941      0.00000
     29       0.6730      0.00000
     30      -0.0419      0.00000
     31      -0.1222      0.00000
     32      -1.1412      0.00000
     33       0.2220      0.00000
     34       0.9116      0.00000
     35      -0.5871      0.00000
     36       1.8105      0.00000
     37       0.0722      0.00000
     38      -0.4673      0.00000
     39      -0.5629      0.00000
     40       0.2957      0.00000

 k-point 157 :      -0.5455    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0673      0.00000
      2       0.0476      0.00000
      3       0.3109      0.00000
      4      -0.1026      0.00000
      5      -0.3475      0.00000
      6      -0.2294      0.00000
      7      -0.6482      0.00000
      8       0.5791      0.00000
      9      -0.0563      0.00000
     10       0.1172      0.00000
     11       0.1753      0.00000
     12      -0.0013      0.00000
     13      -0.0293      0.00000
     14       0.5501      0.00000
     15      -0.1959      0.00000
     16       0.1737      0.00000
     17      -0.7932      0.00000
     18       0.6661      0.00000
     19      -0.1167      0.00000
     20      -0.2009      0.00000
     21       0.7089      0.00000
     22      -0.1580      0.00000
     23       1.1161      0.00000
     24      -1.4047      0.00000
     25      -0.7433      0.00000
     26      -0.6297      0.00000
     27       1.0664      0.00000
     28       0.4549      0.00000
     29       0.1497      0.00000
     30      -0.1660      0.00000
     31      -0.7492      0.00000
     32      -1.2143      0.00000
     33       0.7529      0.00000
     34       0.8982      0.00000
     35       0.2333      0.00000
     36       0.5701      0.00000
     37       0.1571      0.00000
     38       0.1432      0.00000
     39      -0.6436      0.00000
     40      -0.5042      0.00000

 k-point 158 :      -0.4545    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0286      0.00000
      2       0.0231      0.00000
      3      -0.0377      0.00000
      4       0.2644      0.00000
      5      -0.0326      0.00000
      6      -0.6633      0.00000
      7       0.3247      0.00000
      8      -0.0569      0.00000
      9      -0.0194      0.00000
     10       0.0501      0.00000
     11       0.1049      0.00000
     12      -0.0060      0.00000
     13       0.0149      0.00000
     14       0.3164      0.00000
     15      -0.3299      0.00000
     16       0.1173      0.00000
     17      -0.4187      0.00000
     18       0.4334      0.00000
     19      -0.1907      0.00000
     20      -0.1642      0.00000
     21       0.2011      0.00000
     22       0.9786      0.00000
     23      -0.0146      0.00000
     24      -0.3925      0.00000
     25      -1.3913      0.00000
     26      -0.1849      0.00000
     27       0.7375      0.00000
     28       1.0037      0.00000
     29      -0.4919      0.00000
     30       0.7809      0.00000
     31      -1.1592      0.00000
     32      -1.6539      0.00000
     33       0.3917      0.00000
     34       0.9939      0.00000
     35       0.7780      0.00000
     36       1.2670      0.00000
     37      -0.1347      0.00000
     38       0.0375      0.00000
     39      -0.2002      0.00000
     40      -0.7986      0.00000

 k-point 159 :      -0.3636    0.2727    0.3333
  band No.  band energies     occupation 
      1      -0.0018      0.00000
      2       0.0138      0.00000
      3       0.0720      0.00000
      4       0.0551      0.00000
      5       0.1696      0.00000
      6      -0.7578      0.00000
      7       0.4826      0.00000
      8       0.0752      0.00000
      9       0.0216      0.00000
     10      -0.0030      0.00000
     11       0.0307      0.00000
     12      -0.0110      0.00000
     13      -0.1682      0.00000
     14       0.0833      0.00000
     15      -0.0574      0.00000
     16      -0.1993      0.00000
     17      -0.0068      0.00000
     18       0.1244      0.00000
     19      -0.1656      0.00000
     20      -0.1210      0.00000
     21       0.3834      0.00000
     22       0.9648      0.00000
     23      -0.4705      0.00000
     24      -0.0108      0.00000
     25      -1.5052      0.00000
     26      -0.1734      0.00000
     27       0.8739      0.00000
     28       1.0820      0.00000
     29      -0.5068      0.00000
     30       1.2284      0.00000
     31      -1.6021      0.00000
     32      -0.6648      0.00000
     33       0.3955      0.00000
     34      -0.1385      0.00000
     35       1.0964      0.00000
     36       0.6679      0.00000
     37       0.1945      0.00000
     38      -1.1099      0.00000
     39       0.8963      0.00000
     40      -1.4779      0.00000

 k-point 160 :      -0.2727    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0186      0.00000
      2       0.0087      0.00000
      3       0.1136      0.00000
      4      -0.1495      0.00000
      5       0.3584      0.00000
      6      -0.5006      0.00000
      7       0.2791      0.00000
      8       0.2799      0.00000
      9      -0.0115      0.00000
     10      -0.0379      0.00000
     11      -0.0105      0.00000
     12      -0.0098      0.00000
     13      -0.3401      0.00000
     14       0.0073      0.00000
     15      -0.3068      0.00000
     16       0.0454      0.00000
     17       0.2390      0.00000
     18      -0.1717      0.00000
     19      -0.1740      0.00000
     20       0.0091      0.00000
     21       0.4588      0.00000
     22       0.6716      0.00000
     23      -0.7431      0.00000
     24       0.0668      0.00000
     25      -0.3984      0.00000
     26      -0.4581      0.00000
     27       0.7830      0.00000
     28       0.2021      0.00000
     29      -0.3028      0.00000
     30       0.1639      0.00000
     31       0.3181      0.00000
     32       0.8848      0.00000
     33      -0.1426      0.00000
     34      -0.4633      0.00000
     35      -0.0443      0.00000
     36      -0.5266      0.00000
     37      -1.0033      0.00000
     38       0.0232      0.00000
     39       0.0903      0.00000
     40      -0.3564      0.00000

 k-point 161 :      -0.1818    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0327      0.00000
      2       0.0033      0.00000
      3       0.0136      0.00000
      4      -0.2273      0.00000
      5       0.3888      0.00000
      6       0.0228      0.00000
      7       0.1179      0.00000
      8       0.1947      0.00000
      9      -0.0309      0.00000
     10      -0.0467      0.00000
     11      -0.0314      0.00000
     12      -0.0066      0.00000
     13      -0.2902      0.00000
     14      -0.1248      0.00000
     15      -0.7134      0.00000
     16       0.4449      0.00000
     17      -0.0288      0.00000
     18       0.0343      0.00000
     19      -0.2062      0.00000
     20       0.1185      0.00000
     21       0.4484      0.00000
     22       0.1360      0.00000
     23      -0.7486      0.00000
     24       0.4754      0.00000
     25       0.4210      0.00000
     26      -0.4287      0.00000
     27       0.3779      0.00000
     28      -0.7741      0.00000
     29      -0.2977      0.00000
     30       1.2614      0.00000
     31       1.4326      0.00000
     32       0.7369      0.00000
     33      -0.4796      0.00000
     34      -0.1342      0.00000
     35      -1.5360      0.00000
     36      -1.6542      0.00000
     37       0.2810      0.00000
     38      -0.7984      0.00000
     39      -0.5588      0.00000
     40       1.9540      0.00000

 k-point 162 :      -0.0909    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0398      0.00000
      2      -0.0041      0.00000
      3      -0.3101      0.00000
      4       0.1824      0.00000
      5       0.0704      0.00000
      6       0.4035      0.00000
      7      -0.1361      0.00000
      8       0.2339      0.00000
      9      -0.0090      0.00000
     10      -0.0514      0.00000
     11      -0.0323      0.00000
     12       0.0056      0.00000
     13      -0.1262      0.00000
     14      -0.3923      0.00000
     15      -0.1931      0.00000
     16       0.0878      0.00000
     17      -0.0115      0.00000
     18      -0.0227      0.00000
     19      -0.2044      0.00000
     20       0.1026      0.00000
     21       0.5196      0.00000
     22      -0.1222      0.00000
     23       0.2470      0.00000
     24      -0.3585      0.00000
     25       0.4373      0.00000
     26      -0.1617      0.00000
     27      -0.4715      0.00000
     28       0.1333      0.00000
     29      -0.3937      0.00000
     30       0.8308      0.00000
     31       1.4877      0.00000
     32       1.1277      0.00000
     33      -1.0060      0.00000
     34      -0.2353      0.00000
     35      -1.5168      0.00000
     36      -1.2628      0.00000
     37       0.2176      0.00000
     38      -0.1143      0.00000
     39      -0.6382      0.00000
     40       0.7705      0.00000

 k-point 163 :      -0.0000    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0641      0.00000
      2      -0.0243      0.00000
      3      -0.2232      0.00000
      4       0.2907      0.00000
      5       0.3305      0.00000
      6       0.1168      0.00000
      7      -0.5705      0.00000
      8       0.4407      0.00000
      9      -0.0459      0.00000
     10      -0.0074      0.00000
     11      -0.0238      0.00000
     12       0.0404      0.00000
     13      -0.1194      0.00000
     14      -0.2839      0.00000
     15       0.4268      0.00000
     16      -0.2059      0.00000
     17      -0.1387      0.00000
     18      -0.4118      0.00000
     19      -0.1720      0.00000
     20      -0.1407      0.00000
     21       0.7081      0.00000
     22       0.5834      0.00000
     23      -0.6825      0.00000
     24       0.1100      0.00000
     25      -0.2486      0.00000
     26      -0.4472      0.00000
     27       0.7340      0.00000
     28       0.2031      0.00000
     29      -0.1328      0.00000
     30      -0.2117      0.00000
     31       0.2669      0.00000
     32       0.2732      0.00000
     33      -0.2705      0.00000
     34       0.7773      0.00000
     35      -0.1244      0.00000
     36       0.3398      0.00000
     37      -0.9814      0.00000
     38       0.0872      0.00000
     39      -0.6859      0.00000
     40       0.1643      0.00000

 k-point 164 :       0.0909    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0620      0.00000
      2      -0.0329      0.00000
      3      -0.2227      0.00000
      4       0.3032      0.00000
      5       0.4078      0.00000
      6      -0.0435      0.00000
      7      -0.2998      0.00000
      8       0.0197      0.00000
      9      -0.0991      0.00000
     10      -0.0265      0.00000
     11      -0.0033      0.00000
     12       0.1170      0.00000
     13       0.0206      0.00000
     14      -0.1861      0.00000
     15       0.6376      0.00000
     16      -0.0632      0.00000
     17      -0.6073      0.00000
     18      -0.2448      0.00000
     19      -0.1324      0.00000
     20      -0.4471      0.00000
     21       0.7035      0.00000
     22       0.8326      0.00000
     23      -0.7791      0.00000
     24       0.9654      0.00000
     25      -1.8282      0.00000
     26       0.3767      0.00000
     27       0.4250      0.00000
     28       0.2627      0.00000
     29       0.8131      0.00000
     30      -0.3231      0.00000
     31      -0.3697      0.00000
     32      -0.5586      0.00000
     33      -0.4034      0.00000
     34       0.7599      0.00000
     35       0.3380      0.00000
     36       1.1708      0.00000
     37      -0.7819      0.00000
     38       0.3156      0.00000
     39       0.8629      0.00000
     40      -1.2683      0.00000

 k-point 165 :       0.1818    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0602      0.00000
      2      -0.0413      0.00000
      3      -0.2534      0.00000
      4       0.2921      0.00000
      5       0.3955      0.00000
      6      -0.1274      0.00000
      7      -0.1217      0.00000
      8      -0.0631      0.00000
      9      -0.0279      0.00000
     10      -0.0406      0.00000
     11      -0.0694      0.00000
     12       0.0490      0.00000
     13       0.1269      0.00000
     14      -0.2637      0.00000
     15       0.3220      0.00000
     16       0.1757      0.00000
     17      -0.1874      0.00000
     18      -0.3824      0.00000
     19      -0.1011      0.00000
     20      -0.4737      0.00000
     21       0.5431      0.00000
     22       0.5940      0.00000
     23      -0.8325      0.00000
     24       0.9251      0.00000
     25      -1.5064      0.00000
     26       1.1163      0.00000
     27      -0.2023      0.00000
     28      -0.0938      0.00000
     29       0.5331      0.00000
     30      -0.4755      0.00000
     31       1.2323      0.00000
     32      -0.9368      0.00000
     33      -0.4342      0.00000
     34       0.6215      0.00000
     35      -0.5420      0.00000
     36       1.3797      0.00000
     37      -1.4305      0.00000
     38       0.1098      0.00000
     39       0.3781      0.00000
     40       0.6442      0.00000

 k-point 166 :       0.2727   -0.6364    0.3333
  band No.  band energies     occupation 
      1       0.0773      0.00000
      2      -0.0646      0.00000
      3      -0.2798      0.00000
      4       0.0837      0.00000
      5       0.4241      0.00000
      6      -0.1191      0.00000
      7       0.4584      0.00000
      8      -0.2368      0.00000
      9      -0.0513      0.00000
     10      -0.0570      0.00000
     11      -0.1562      0.00000
     12       0.0208      0.00000
     13       0.1692      0.00000
     14      -0.4904      0.00000
     15       0.2332      0.00000
     16      -0.0984      0.00000
     17       0.4927      0.00000
     18      -0.4931      0.00000
     19      -0.1274      0.00000
     20       0.4121      0.00000
     21       0.0080      0.00000
     22      -0.2664      0.00000
     23      -1.0900      0.00000
     24       1.2101      0.00000
     25       0.3459      0.00000
     26      -0.1966      0.00000
     27      -0.2757      0.00000
     28      -0.0426      0.00000
     29       0.1272      0.00000
     30      -0.0328      0.00000
     31       0.4163      0.00000
     32       0.4089      0.00000
     33      -0.8844      0.00000
     34       0.2278      0.00000
     35      -1.3461      0.00000
     36       1.0523      0.00000
     37      -0.6501      0.00000
     38       0.7056      0.00000
     39      -0.1777      0.00000
     40       0.5067      0.00000

 k-point 167 :      -0.6364    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0458      0.00000
      2      -0.0330      0.00000
      3       0.0535      0.00000
      4       0.0855      0.00000
      5      -0.1297      0.00000
      6      -0.0525      0.00000
      7      -0.2981      0.00000
      8       0.7744      0.00000
      9      -0.1496      0.00000
     10      -0.0479      0.00000
     11       0.1401      0.00000
     12      -0.0771      0.00000
     13      -0.3013      0.00000
     14      -0.0011      0.00000
     15      -0.1750      0.00000
     16       0.0840      0.00000
     17      -0.0012      0.00000
     18       0.0032      0.00000
     19      -0.4499      0.00000
     20       0.3899      0.00000
     21       0.6300      0.00000
     22      -0.2252      0.00000
     23      -0.2532      0.00000
     24      -0.1039      0.00000
     25       0.5596      0.00000
     26      -0.6699      0.00000
     27       0.0637      0.00000
     28       0.4573      0.00000
     29      -0.1326      0.00000
     30      -0.1607      0.00000
     31       0.2061      0.00000
     32       0.0358      0.00000
     33      -1.0626      0.00000
     34       0.6943      0.00000
     35      -0.5677      0.00000
     36       1.1096      0.00000
     37      -0.4809      0.00000
     38      -0.1202      0.00000
     39       0.1789      0.00000
     40       0.2625      0.00000

 k-point 168 :      -0.5455    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0257      0.00000
      2      -0.0064      0.00000
      3       0.0236      0.00000
      4       0.1162      0.00000
      5       0.0055      0.00000
      6      -0.2190      0.00000
      7      -0.1347      0.00000
      8       0.4381      0.00000
      9      -0.1254      0.00000
     10       0.0416      0.00000
     11       0.1592      0.00000
     12       0.0286      0.00000
     13      -0.2451      0.00000
     14       0.0807      0.00000
     15      -0.4507      0.00000
     16       0.5205      0.00000
     17      -0.4516      0.00000
     18       0.0603      0.00000
     19      -0.3503      0.00000
     20      -0.2929      0.00000
     21       1.2240      0.00000
     22       0.4269      0.00000
     23      -0.2057      0.00000
     24      -0.6497      0.00000
     25      -1.0569      0.00000
     26       0.3620      0.00000
     27       0.6600      0.00000
     28       0.8544      0.00000
     29      -0.6542      0.00000
     30       0.3498      0.00000
     31      -0.0009      0.00000
     32      -1.2116      0.00000
     33      -0.3902      0.00000
     34       1.1178      0.00000
     35       0.4324      0.00000
     36       1.4587      0.00000
     37      -1.4408      0.00000
     38       0.2526      0.00000
     39      -0.0332      0.00000
     40       0.0546      0.00000

 k-point 169 :      -0.4545    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0320      0.00000
      2      -0.0023      0.00000
      3       0.0634      0.00000
      4       0.0432      0.00000
      5       0.2899      0.00000
      6      -0.5459      0.00000
      7       0.2467      0.00000
      8       0.1718      0.00000
      9      -0.0484      0.00000
     10       0.0297      0.00000
     11       0.0726      0.00000
     12       0.0170      0.00000
     13      -0.1799      0.00000
     14      -0.0481      0.00000
     15      -0.5345      0.00000
     16       0.2980      0.00000
     17      -0.0446      0.00000
     18      -0.0826      0.00000
     19      -0.2484      0.00000
     20      -0.3230      0.00000
     21       0.9444      0.00000
     22       0.8864      0.00000
     23      -0.5890      0.00000
     24      -0.2928      0.00000
     25      -1.5402      0.00000
     26       0.2066      0.00000
     27       1.0860      0.00000
     28       0.9910      0.00000
     29      -0.7125      0.00000
     30       0.3187      0.00000
     31      -0.1544      0.00000
     32      -1.1295      0.00000
     33       0.3139      0.00000
     34       0.2397      0.00000
     35       0.7883      0.00000
     36       1.2162      0.00000
     37      -0.9170      0.00000
     38       0.3239      0.00000
     39       0.4315      0.00000
     40      -1.6803      0.00000

 k-point 170 :      -0.3636    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0418      0.00000
      2      -0.0015      0.00000
      3       0.1198      0.00000
      4      -0.0840      0.00000
      5       0.4011      0.00000
      6      -0.5230      0.00000
      7       0.2598      0.00000
      8       0.3569      0.00000
      9      -0.0210      0.00000
     10      -0.0159      0.00000
     11      -0.0154      0.00000
     12      -0.0066      0.00000
     13      -0.3420      0.00000
     14      -0.1821      0.00000
     15      -0.1126      0.00000
     16      -0.0986      0.00000
     17      -0.2370      0.00000
     18       0.1623      0.00000
     19      -0.1981      0.00000
     20      -0.1219      0.00000
     21       0.5091      0.00000
     22       0.9582      0.00000
     23      -0.9838      0.00000
     24      -0.0271      0.00000
     25      -0.2320      0.00000
     26      -0.4274      0.00000
     27       0.8175      0.00000
     28       0.4570      0.00000
     29      -0.3668      0.00000
     30      -0.0242      0.00000
     31       0.0814      0.00000
     32       0.6536      0.00000
     33       0.1128      0.00000
     34      -0.0564      0.00000
     35       0.0287      0.00000
     36      -0.0474      0.00000
     37      -1.0321      0.00000
     38      -0.1978      0.00000
     39      -0.3323      0.00000
     40       0.2366      0.00000

 k-point 171 :      -0.2727    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0512      0.00000
      2      -0.0032      0.00000
      3       0.1061      0.00000
      4      -0.2049      0.00000
      5       0.2957      0.00000
      6      -0.0183      0.00000
      7       0.2878      0.00000
      8       0.3105      0.00000
      9      -0.0558      0.00000
     10      -0.0396      0.00000
     11      -0.0490      0.00000
     12      -0.0315      0.00000
     13      -0.5644      0.00000
     14      -0.2455      0.00000
     15      -0.3214      0.00000
     16       0.1217      0.00000
     17      -0.1025      0.00000
     18       0.1280      0.00000
     19      -0.1915      0.00000
     20       0.1681      0.00000
     21       0.3851      0.00000
     22       0.3113      0.00000
     23      -1.2998      0.00000
     24       0.1666      0.00000
     25       1.7174      0.00000
     26      -0.7294      0.00000
     27       0.2538      0.00000
     28      -0.8247      0.00000
     29       0.2968      0.00000
     30      -0.8575      0.00000
     31       1.4790      0.00000
     32       1.8643      0.00000
     33      -0.3394      0.00000
     34      -0.4906      0.00000
     35      -2.1010      0.00000
     36       0.0964      0.00000
     37      -0.5977      0.00000
     38      -1.1004      0.00000
     39      -0.0503      0.00000
     40       1.1064      0.00000

 k-point 172 :      -0.1818    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0586      0.00000
      2      -0.0079      0.00000
      3      -0.1288      0.00000
      4      -0.0257      0.00000
      5       0.1448      0.00000
      6       0.3816      0.00000
      7       0.1600      0.00000
      8       0.2923      0.00000
      9      -0.0244      0.00000
     10      -0.0596      0.00000
     11      -0.0642      0.00000
     12      -0.0421      0.00000
     13      -0.5424      0.00000
     14      -0.4435      0.00000
     15      -0.3854      0.00000
     16       0.1955      0.00000
     17       0.3007      0.00000
     18      -0.1671      0.00000
     19      -0.1914      0.00000
     20       0.3238      0.00000
     21       0.4709      0.00000
     22      -0.4756      0.00000
     23      -1.2700      0.00000
     24       0.2174      0.00000
     25       2.0100      0.00000
     26       0.3059      0.00000
     27      -1.4405      0.00000
     28       0.4066      0.00000
     29      -0.7849      0.00000
     30       0.3273      0.00000
     31       2.0162      0.00000
     32       2.7716      0.00000
     33      -2.4563      0.00000
     34      -1.9332      0.00000
     35      -0.8849      0.00000
     36       0.8005      0.00000
     37      -1.3439      0.00000
     38      -0.7147      0.00000
     39      -0.6961      0.00000
     40       1.3486      0.00000

 k-point 173 :      -0.0909    0.3636    0.3333
  band No.  band energies     occupation 
      1       0.0631      0.00000
      2      -0.0154      0.00000
      3      -0.2587      0.00000
      4       0.2429      0.00000
      5       0.1815      0.00000
      6       0.3492      0.00000
      7      -0.1775      0.00000
      8       0.3213      0.00000
      9       0.0217      0.00000
     10      -0.0616      0.00000
     11      -0.0557      0.00000
     12      -0.0252      0.00000
     13      -0.3178      0.00000
     14      -0.4717      0.00000
     15       0.1400      0.00000
     16      -0.2003      0.00000
     17       0.3583      0.00000
     18      -0.4650      0.00000
     19      -0.1915      0.00000
     20       0.1861      0.00000
     21       0.6075      0.00000
     22      -0.0565      0.00000
     23      -0.4110      0.00000
     24      -0.8450      0.00000
     25       1.5794      0.00000
     26       0.1794      0.00000
     27      -0.6236      0.00000
     28       0.4120      0.00000
     29      -1.0311      0.00000
     30      -0.6110      0.00000
     31       1.9049      0.00000
     32       1.6984      0.00000
     33      -1.2979      0.00000
     34      -1.0175      0.00000
     35      -0.7926      0.00000
     36       0.6416      0.00000
     37      -0.3554      0.00000
     38      -0.5118      0.00000
     39      -0.9035      0.00000
     40       0.6326      0.00000

 k-point 174 :      -0.0000    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0911      0.00000
      2      -0.0431      0.00000
      3      -0.1606      0.00000
      4       0.2821      0.00000
      5       0.3730      0.00000
      6      -0.0227      0.00000
      7      -0.3871      0.00000
      8       0.4674      0.00000
      9       0.0103      0.00000
     10      -0.0542      0.00000
     11      -0.0123      0.00000
     12      -0.0195      0.00000
     13      -0.1272      0.00000
     14      -0.3698      0.00000
     15       0.4664      0.00000
     16      -0.2563      0.00000
     17      -0.2291      0.00000
     18      -0.4066      0.00000
     19      -0.1014      0.00000
     20      -0.3772      0.00000
     21       0.8688      0.00000
     22       0.7105      0.00000
     23      -0.8011      0.00000
     24      -0.0505      0.00000
     25      -0.2321      0.00000
     26      -0.3337      0.00000
     27       0.8055      0.00000
     28       0.4307      0.00000
     29      -0.2705      0.00000
     30      -0.2936      0.00000
     31       0.1639      0.00000
     32       0.0592      0.00000
     33      -0.1478      0.00000
     34       0.4636      0.00000
     35      -0.1568      0.00000
     36       1.1694      0.00000
     37      -1.1517      0.00000
     38       0.7566      0.00000
     39      -0.5676      0.00000
     40      -0.8687      0.00000

 k-point 175 :       0.0909   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0945      0.00000
      2      -0.0502      0.00000
      3      -0.1199      0.00000
      4       0.2286      0.00000
      5       0.4296      0.00000
      6      -0.3300      0.00000
      7       0.0844      0.00000
      8       0.2814      0.00000
      9      -0.0216      0.00000
     10      -0.0045      0.00000
     11      -0.0029      0.00000
     12      -0.0804      0.00000
     13      -0.1160      0.00000
     14      -0.4675      0.00000
     15       0.5142      0.00000
     16      -0.1377      0.00000
     17      -0.5721      0.00000
     18      -0.0737      0.00000
     19      -0.0441      0.00000
     20      -0.4672      0.00000
     21       0.7993      0.00000
     22       0.5821      0.00000
     23      -1.0113      0.00000
     24       0.8014      0.00000
     25      -0.3048      0.00000
     26      -0.1611      0.00000
     27       0.0192      0.00000
     28       0.3212      0.00000
     29       0.6727      0.00000
     30      -0.4199      0.00000
     31      -0.2725      0.00000
     32       0.4841      0.00000
     33      -0.5893      0.00000
     34      -0.2336      0.00000
     35       0.9341      0.00000
     36       0.2637      0.00000
     37      -1.4974      0.00000
     38       0.6720      0.00000
     39      -0.2730      0.00000
     40       0.8541      0.00000

 k-point 176 :       0.1818   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0944      0.00000
      2      -0.0532      0.00000
      3      -0.1064      0.00000
      4       0.1202      0.00000
      5       0.4463      0.00000
      6      -0.3823      0.00000
      7       0.4205      0.00000
      8       0.3928      0.00000
      9      -0.0507      0.00000
     10      -0.0618      0.00000
     11      -0.1177      0.00000
     12      -0.0345      0.00000
     13      -0.4456      0.00000
     14      -0.5846      0.00000
     15       0.4564      0.00000
     16      -0.7392      0.00000
     17       0.5768      0.00000
     18      -0.2123      0.00000
     19      -0.0426      0.00000
     20       0.0961      0.00000
     21       0.2261      0.00000
     22      -0.0307      0.00000
     23      -1.1433      0.00000
     24       1.0427      0.00000
     25       1.7991      0.00000
     26      -1.5184      0.00000
     27      -0.3369      0.00000
     28       0.0378      0.00000
     29       0.5872      0.00000
     30      -1.4245      0.00000
     31       1.1519      0.00000
     32       1.5996      0.00000
     33      -0.7899      0.00000
     34      -0.9049      0.00000
     35      -0.4025      0.00000
     36      -0.3138      0.00000
     37      -1.0397      0.00000
     38       0.5619      0.00000
     39       1.4678      0.00000
     40       0.1731      0.00000

 k-point 177 :       0.2727   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0918      0.00000
      2      -0.0517      0.00000
      3      -0.0944      0.00000
      4      -0.0042      0.00000
      5       0.3395      0.00000
      6      -0.1320      0.00000
      7      -0.1753      0.00000
      8       1.1630      0.00000
      9      -0.0989      0.00000
     10      -0.1020      0.00000
     11      -0.1054      0.00000
     12      -0.0485      0.00000
     13      -0.6164      0.00000
     14      -0.6209      0.00000
     15       0.1506      0.00000
     16      -0.2255      0.00000
     17       0.6059      0.00000
     18      -0.3349      0.00000
     19      -0.0723      0.00000
     20       0.8219      0.00000
     21      -1.2278      0.00000
     22       0.5160      0.00000
     23      -1.9882      0.00000
     24       1.7891      0.00000
     25       1.9032      0.00000
     26       0.5619      0.00000
     27      -2.5762      0.00000
     28       0.8439      0.00000
     29      -0.4856      0.00000
     30      -0.0720      0.00000
     31       1.0291      0.00000
     32       1.9662      0.00000
     33      -1.3024      0.00000
     34      -1.8069      0.00000
     35      -0.6173      0.00000
     36       0.0132      0.00000
     37       0.1135      0.00000
     38      -0.3373      0.00000
     39       1.1878      0.00000
     40       0.1778      0.00000

 k-point 178 :       0.3636   -0.5455    0.3333
  band No.  band energies     occupation 
      1       0.0882      0.00000
      2      -0.0469      0.00000
      3      -0.0044      0.00000
      4       0.0410      0.00000
      5       0.0987      0.00000
      6       0.0606      0.00000
      7      -0.0109      0.00000
      8       0.6833      0.00000
      9      -0.0286      0.00000
     10      -0.0689      0.00000
     11      -0.0658      0.00000
     12      -0.0258      0.00000
     13      -0.3115      0.00000
     14      -0.4869      0.00000
     15      -0.3826      0.00000
     16      -0.1805      0.00000
     17       0.7830      0.00000
     18      -0.4296      0.00000
     19      -0.1866      0.00000
     20       0.2053      0.00000
     21       0.4185      0.00000
     22       0.0836      0.00000
     23      -0.1959      0.00000
     24      -0.5672      0.00000
     25       1.6746      0.00000
     26      -1.2921      0.00000
     27       0.2538      0.00000
     28       0.6207      0.00000
     29      -0.7511      0.00000
     30      -0.6770      0.00000
     31       0.3816      0.00000
     32       1.3942      0.00000
     33      -0.7987      0.00000
     34      -0.2151      0.00000
     35       0.6249      0.00000
     36      -0.4825      0.00000
     37      -1.3778      0.00000
     38       0.4649      0.00000
     39       1.0821      0.00000
     40       0.1435      0.00000

 k-point 179 :      -0.5455    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0833      0.00000
      2      -0.0389      0.00000
      3      -0.0145      0.00000
      4       0.1289      0.00000
      5       0.2338      0.00000
      6      -0.1248      0.00000
      7      -0.1979      0.00000
      8       0.5665      0.00000
      9      -0.0607      0.00000
     10       0.0258      0.00000
     11       0.0364      0.00000
     12      -0.0095      0.00000
     13      -0.2228      0.00000
     14      -0.3182      0.00000
     15      -0.5594      0.00000
     16       0.4566      0.00000
     17       0.1862      0.00000
     18      -0.5134      0.00000
     19      -0.1555      0.00000
     20      -0.3935      0.00000
     21       1.1506      0.00000
     22       0.5016      0.00000
     23      -0.4959      0.00000
     24      -0.7843      0.00000
     25       0.3765      0.00000
     26      -0.6259      0.00000
     27       1.0056      0.00000
     28       0.6163      0.00000
     29      -1.0606      0.00000
     30      -0.1362      0.00000
     31       0.3220      0.00000
     32       0.0941      0.00000
     33       0.3483      0.00000
     34      -0.6305      0.00000
     35       1.1683      0.00000
     36       0.4995      0.00000
     37      -1.5578      0.00000
     38       0.6616      0.00000
     39       0.0506      0.00000
     40      -0.0224      0.00000

 k-point 180 :      -0.4545    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0785      0.00000
      2      -0.0302      0.00000
      3       0.0570      0.00000
      4       0.0492      0.00000
      5       0.4007      0.00000
      6      -0.4717      0.00000
      7       0.1179      0.00000
      8       0.4316      0.00000
      9       0.0157      0.00000
     10       0.0237      0.00000
     11      -0.0153      0.00000
     12      -0.0188      0.00000
     13      -0.3099      0.00000
     14      -0.2950      0.00000
     15       0.1780      0.00000
     16      -0.2171      0.00000
     17      -0.2641      0.00000
     18      -0.1074      0.00000
     19      -0.1102      0.00000
     20      -0.4079      0.00000
     21       1.0563      0.00000
     22       0.6142      0.00000
     23      -0.9134      0.00000
     24      -0.0745      0.00000
     25      -0.1975      0.00000
     26      -0.3612      0.00000
     27       0.8034      0.00000
     28       0.5391      0.00000
     29      -0.2052      0.00000
     30      -0.3691      0.00000
     31       0.1093      0.00000
     32       0.2348      0.00000
     33      -0.1090      0.00000
     34       0.3315      0.00000
     35      -0.0947      0.00000
     36       0.9325      0.00000
     37      -1.3600      0.00000
     38       0.7112      0.00000
     39      -0.2646      0.00000
     40      -1.3189      0.00000

 k-point 181 :      -0.3636    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0759      0.00000
      2      -0.0245      0.00000
      3       0.0886      0.00000
      4      -0.0476      0.00000
      5       0.3854      0.00000
      6      -0.3274      0.00000
      7       0.2905      0.00000
      8       0.4611      0.00000
      9      -0.0142      0.00000
     10      -0.0099      0.00000
     11      -0.0760      0.00000
     12      -0.0411      0.00000
     13      -0.5143      0.00000
     14      -0.4381      0.00000
     15       0.6159      0.00000
     16      -0.6856      0.00000
     17      -0.2004      0.00000
     18       0.0942      0.00000
     19      -0.1214      0.00000
     20      -0.0433      0.00000
     21       0.5106      0.00000
     22       0.4020      0.00000
     23      -1.2223      0.00000
     24       0.3912      0.00000
     25       1.8627      0.00000
     26      -1.3917      0.00000
     27       0.1444      0.00000
     28      -0.1845      0.00000
     29       0.4857      0.00000
     30      -0.6771      0.00000
     31       0.0579      0.00000
     32       1.9521      0.00000
     33      -0.3689      0.00000
     34      -0.8513      0.00000
     35       0.1143      0.00000
     36      -0.8163      0.00000
     37      -1.7509      0.00000
     38       0.8813      0.00000
     39       0.6776      0.00000
     40       0.0664      0.00000

 k-point 182 :      -0.2727    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0765      0.00000
      2      -0.0235      0.00000
      3       0.0435      0.00000
      4      -0.1277      0.00000
      5       0.3444      0.00000
      6      -0.0059      0.00000
      7       0.3479      0.00000
      8       0.4678      0.00000
      9      -0.0540      0.00000
     10      -0.0258      0.00000
     11      -0.1003      0.00000
     12      -0.0786      0.00000
     13      -0.7575      0.00000
     14      -0.5740      0.00000
     15       0.4117      0.00000
     16      -0.5801      0.00000
     17       0.3970      0.00000
     18      -0.1165      0.00000
     19      -0.1210      0.00000
     20       0.4804      0.00000
     21       0.2698      0.00000
     22      -0.5854      0.00000
     23      -1.3662      0.00000
     24       0.7416      0.00000
     25       2.2833      0.00000
     26      -0.5726      0.00000
     27      -0.8202      0.00000
     28      -0.1216      0.00000
     29       0.6378      0.00000
     30      -1.2997      0.00000
     31       1.8157      0.00000
     32       2.3257      0.00000
     33      -1.2295      0.00000
     34      -1.6211      0.00000
     35      -1.2259      0.00000
     36      -0.3266      0.00000
     37      -1.4643      0.00000
     38       0.7301      0.00000
     39       1.5809      0.00000
     40      -0.1629      0.00000

 k-point 183 :      -0.1818    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0802      0.00000
      2      -0.0273      0.00000
      3      -0.1480      0.00000
      4       0.0865      0.00000
      5       0.2012      0.00000
      6       0.2505      0.00000
      7       0.2122      0.00000
      8       0.4091      0.00000
      9       0.0017      0.00000
     10      -0.0262      0.00000
     11      -0.0983      0.00000
     12      -0.1037      0.00000
     13      -0.6114      0.00000
     14      -0.5817      0.00000
     15      -0.1424      0.00000
     16      -0.1142      0.00000
     17       0.6015      0.00000
     18      -0.3598      0.00000
     19      -0.1412      0.00000
     20       0.5263      0.00000
     21       0.1470      0.00000
     22      -0.4488      0.00000
     23      -0.1971      0.00000
     24      -0.6594      0.00000
     25       2.1470      0.00000
     26       0.3597      0.00000
     27      -1.8631      0.00000
     28       1.0786      0.00000
     29      -1.0572      0.00000
     30      -0.4254      0.00000
     31       1.5602      0.00000
     32       2.4640      0.00000
     33      -1.2185      0.00000
     34      -1.6445      0.00000
     35       0.0410      0.00000
     36      -1.3647      0.00000
     37      -1.5040      0.00000
     38       0.9041      0.00000
     39       1.6709      0.00000
     40      -0.2331      0.00000

 k-point 184 :      -0.0909    0.4545    0.3333
  band No.  band energies     occupation 
      1       0.0857      0.00000
      2      -0.0345      0.00000
      3      -0.1569      0.00000
      4       0.2317      0.00000
      5       0.2277      0.00000
      6       0.1836      0.00000
      7      -0.1615      0.00000
      8       0.4390      0.00000
      9       0.0438      0.00000
     10      -0.0178      0.00000
     11      -0.0760      0.00000
     12      -0.0797      0.00000
     13      -0.2920      0.00000
     14      -0.4637      0.00000
     15      -0.3056      0.00000
     16       0.2302      0.00000
     17       0.3785      0.00000
     18      -0.6307      0.00000
     19      -0.1595      0.00000
     20       0.0424      0.00000
     21       0.4114      0.00000
     22       0.5351      0.00000
     23      -0.4712      0.00000
     24      -1.0709      0.00000
     25       1.8395      0.00000
     26      -0.6534      0.00000
     27       0.2406      0.00000
     28       0.3890      0.00000
     29      -1.2958      0.00000
     30      -0.3861      0.00000
     31       0.7583      0.00000
     32       1.7537      0.00000
     33      -0.2225      0.00000
     34      -1.6524      0.00000
     35       1.2322      0.00000
     36      -0.3855      0.00000
     37      -1.6626      0.00000
     38       0.5094      0.00000
     39       0.3505      0.00000
     40       0.3263      0.00000

 k-point 185 :      -0.0000    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.0032      0.00000
      2       0.0070      0.00000
      3      -0.1568      0.00000
      4       0.1074      0.00000
      5      -0.6633      0.00000
      6      -0.1663      0.00000
      7       0.0170      0.00000
      8       0.8982      0.00000
      9      -0.0145      0.00000
     10       0.0012      0.00000
     11      -0.0084      0.00000
     12       0.0141      0.00000
     13      -0.0753      0.00000
     14       0.0447      0.00000
     15      -0.4067      0.00000
     16       0.1683      0.00000
     17      -0.1528      0.00000
     18       0.3754      0.00000
     19      -0.0496      0.00000
     20       0.0062      0.00000
     21       0.0005      0.00000
     22       0.0868      0.00000
     23      -0.1443      0.00000
     24       1.2949      0.00000
     25      -1.5269      0.00000
     26       0.0994      0.00000
     27      -0.4334      0.00000
     28       0.5619      0.00000
     29       0.1999      0.00000
     30       1.0155      0.00000
     31      -0.7749      0.00000
     32       0.3178      0.00000
     33      -0.6520      0.00000
     34       0.3617      0.00000
     35      -0.8649      0.00000
     36      -0.5059      0.00000
     37      -0.6316      0.00000
     38       1.0722      0.00000
     39       0.0940      0.00000
     40       0.5303      0.00000

 k-point 186 :      -0.0000    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0046      0.00000
      2       0.0188      0.00000
      3      -0.2347      0.00000
      4       0.1503      0.00000
      5      -0.4917      0.00000
      6       0.2001      0.00000
      7      -0.0190      0.00000
      8       0.5297      0.00000
      9      -0.0203      0.00000
     10      -0.0076      0.00000
     11      -0.0124      0.00000
     12       0.0165      0.00000
     13      -0.2189      0.00000
     14       0.0582      0.00000
     15      -0.3495      0.00000
     16       0.2412      0.00000
     17      -0.1821      0.00000
     18       0.2583      0.00000
     19      -0.1470      0.00000
     20      -0.0058      0.00000
     21       0.1330      0.00000
     22       0.3725      0.00000
     23      -0.3111      0.00000
     24       0.6838      0.00000
     25      -1.3076      0.00000
     26       0.0879      0.00000
     27      -0.1468      0.00000
     28       0.7752      0.00000
     29       0.1092      0.00000
     30       0.7660      0.00000
     31       0.4106      0.00000
     32       0.9776      0.00000
     33      -1.4205      0.00000
     34      -0.6615      0.00000
     35      -0.7182      0.00000
     36      -0.2943      0.00000
     37      -1.3369      0.00000
     38       0.7419      0.00000
     39      -0.1143      0.00000
     40       0.7232      0.00000

 k-point 187 :       0.0909    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0184      0.00000
      2       0.0154      0.00000
      3      -0.0974      0.00000
      4       0.1347      0.00000
      5      -0.2825      0.00000
      6       0.2353      0.00000
      7      -0.3066      0.00000
      8       0.2249      0.00000
      9      -0.0180      0.00000
     10       0.0195      0.00000
     11      -0.0389      0.00000
     12       0.0770      0.00000
     13      -0.0819      0.00000
     14       0.2371      0.00000
     15      -0.1200      0.00000
     16       0.2788      0.00000
     17      -0.2201      0.00000
     18      -0.0215      0.00000
     19      -0.1227      0.00000
     20       0.0068      0.00000
     21       0.1041      0.00000
     22       0.2396      0.00000
     23      -0.4138      0.00000
     24       1.1742      0.00000
     25      -1.1211      0.00000
     26      -0.6614      0.00000
     27      -0.0135      0.00000
     28       1.0509      0.00000
     29      -0.2094      0.00000
     30       0.5842      0.00000
     31      -1.1212      0.00000
     32      -0.5952      0.00000
     33      -0.6622      0.00000
     34       0.0171      0.00000
     35       1.1371      0.00000
     36       1.6495      0.00000
     37      -1.5795      0.00000
     38       1.7430      0.00000
     39      -1.2292      0.00000
     40      -1.0337      0.00000

 k-point 188 :      -0.0909    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.0009      0.00000
      2       0.0213      0.00000
      3      -0.3407      0.00000
      4       0.1533      0.00000
      5      -0.2194      0.00000
      6       0.4815      0.00000
      7      -0.1815      0.00000
      8       0.3244      0.00000
      9      -0.0168      0.00000
     10      -0.0051      0.00000
     11      -0.0493      0.00000
     12       0.0223      0.00000
     13      -0.2692      0.00000
     14       0.0170      0.00000
     15      -0.7983      0.00000
     16       0.3328      0.00000
     17      -0.3046      0.00000
     18       0.7368      0.00000
     19      -0.1908      0.00000
     20       0.0307      0.00000
     21       0.0545      0.00000
     22       0.4280      0.00000
     23      -0.7881      0.00000
     24       1.1210      0.00000
     25      -1.8421      0.00000
     26       0.8861      0.00000
     27      -0.6356      0.00000
     28       0.2542      0.00000
     29       0.6563      0.00000
     30       1.8163      0.00000
     31      -0.7760      0.00000
     32       0.1544      0.00000
     33       1.0071      0.00000
     34       1.7083      0.00000
     35      -4.6807      0.00000
     36      -2.9862      0.00000
     37       0.5064      0.00000
     38       1.2013      0.00000
     39       0.3301      0.00000
     40       1.8653      0.00000

 k-point 189 :      -0.0000    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0055      0.00000
      2       0.0339      0.00000
      3      -0.2315      0.00000
      4       0.1767      0.00000
      5      -0.5559      0.00000
      6       0.2436      0.00000
      7      -0.0110      0.00000
      8       0.6485      0.00000
      9      -0.0282      0.00000
     10      -0.0119      0.00000
     11      -0.0213      0.00000
     12       0.0263      0.00000
     13      -0.4087      0.00000
     14       0.0471      0.00000
     15      -0.2784      0.00000
     16       0.3602      0.00000
     17      -0.2599      0.00000
     18       0.1334      0.00000
     19      -0.2957      0.00000
     20      -0.0293      0.00000
     21       0.2922      0.00000
     22       0.7334      0.00000
     23      -0.5943      0.00000
     24       0.1989      0.00000
     25      -1.0168      0.00000
     26       0.0665      0.00000
     27       0.1658      0.00000
     28       1.1013      0.00000
     29      -0.0030      0.00000
     30       0.4860      0.00000
     31      -0.1905      0.00000
     32       0.3326      0.00000
     33      -0.9342      0.00000
     34       0.1253      0.00000
     35      -0.5252      0.00000
     36       0.0918      0.00000
     37      -1.4517      0.00000
     38       0.4909      0.00000
     39      -0.3296      0.00000
     40       0.2220      0.00000

 k-point 190 :       0.0909    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0139      0.00000
      2       0.0262      0.00000
      3      -0.1052      0.00000
      4       0.1196      0.00000
      5      -0.1159      0.00000
      6       0.3560      0.00000
      7      -0.3909      0.00000
      8       0.1074      0.00000
      9       0.0004      0.00000
     10      -0.0284      0.00000
     11      -0.0525      0.00000
     12       0.1527      0.00000
     13      -0.0999      0.00000
     14       0.1627      0.00000
     15      -0.2087      0.00000
     16       0.4688      0.00000
     17      -0.5827      0.00000
     18       0.1439      0.00000
     19      -0.3263      0.00000
     20      -0.1511      0.00000
     21       0.4311      0.00000
     22       0.8108      0.00000
     23      -0.4488      0.00000
     24       0.8748      0.00000
     25      -1.6281      0.00000
     26      -1.1766      0.00000
     27       0.5580      0.00000
     28       1.6018      0.00000
     29       0.0615      0.00000
     30       1.3127      0.00000
     31      -1.9885      0.00000
     32      -1.4262      0.00000
     33       0.8154      0.00000
     34       1.3797      0.00000
     35      -0.4601      0.00000
     36       1.2769      0.00000
     37      -1.0711      0.00000
     38       0.3904      0.00000
     39      -1.0200      0.00000
     40      -0.6262      0.00000

 k-point 191 :       0.1818    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0269      0.00000
      2       0.0207      0.00000
      3      -0.0744      0.00000
      4       0.1041      0.00000
      5      -0.0684      0.00000
      6       0.2291      0.00000
      7      -0.5315      0.00000
      8       0.0278      0.00000
      9      -0.0368      0.00000
     10       0.0451      0.00000
     11      -0.0473      0.00000
     12       0.1826      0.00000
     13       0.0056      0.00000
     14       0.4252      0.00000
     15      -0.2769      0.00000
     16       0.1779      0.00000
     17      -0.5864      0.00000
     18       0.4546      0.00000
     19      -0.4592      0.00000
     20      -0.0445      0.00000
     21       0.4497      0.00000
     22       0.8678      0.00000
     23      -0.6771      0.00000
     24       0.6170      0.00000
     25      -1.4168      0.00000
     26      -0.9825      0.00000
     27       0.2706      0.00000
     28       1.6913      0.00000
     29      -0.4637      0.00000
     30       1.0585      0.00000
     31      -1.9029      0.00000
     32      -1.1625      0.00000
     33       0.5443      0.00000
     34       1.5065      0.00000
     35       0.1880      0.00000
     36       1.6750      0.00000
     37      -0.6887      0.00000
     38      -0.3518      0.00000
     39      -0.5000      0.00000
     40      -0.3417      0.00000

 k-point 192 :      -0.1818    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0021      0.00000
      2       0.0397      0.00000
      3      -0.3602      0.00000
      4       0.1913      0.00000
      5      -0.2171      0.00000
      6       0.4570      0.00000
      7      -0.0882      0.00000
      8       0.4692      0.00000
      9      -0.0049      0.00000
     10      -0.0354      0.00000
     11      -0.0643      0.00000
     12       0.0001      0.00000
     13      -0.6363      0.00000
     14      -0.0323      0.00000
     15      -0.4723      0.00000
     16       0.2788      0.00000
     17      -0.2625      0.00000
     18       0.5499      0.00000
     19      -0.2987      0.00000
     20       0.1016      0.00000
     21       0.0579      0.00000
     22       0.7324      0.00000
     23      -1.2723      0.00000
     24      -0.1634      0.00000
     25      -0.2452      0.00000
     26       1.5171      0.00000
     27      -0.4529      0.00000
     28       0.4491      0.00000
     29      -0.5123      0.00000
     30       0.4253      0.00000
     31       1.8856      0.00000
     32       2.3655      0.00000
     33      -1.2203      0.00000
     34      -0.5460      0.00000
     35      -2.7797      0.00000
     36      -2.0386      0.00000
     37      -1.3170      0.00000
     38       0.0451      0.00000
     39       0.4898      0.00000
     40       1.9622      0.00000

 k-point 193 :      -0.0000    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0060      0.00000
      2       0.0483      0.00000
      3      -0.1852      0.00000
      4       0.1963      0.00000
      5      -0.0032      0.00000
      6       0.7621      0.00000
      7      -0.6112      0.00000
      8       0.2458      0.00000
      9      -0.0193      0.00000
     10      -0.0092      0.00000
     11      -0.0454      0.00000
     12       0.0378      0.00000
     13      -0.5071      0.00000
     14       0.0473      0.00000
     15      -0.2973      0.00000
     16       0.4745      0.00000
     17      -0.3945      0.00000
     18       0.0607      0.00000
     19      -0.5043      0.00000
     20      -0.0576      0.00000
     21       0.4683      0.00000
     22       0.8495      0.00000
     23      -0.7773      0.00000
     24       0.0649      0.00000
     25      -0.7588      0.00000
     26       0.0394      0.00000
     27       0.3234      0.00000
     28       1.3474      0.00000
     29      -0.5546      0.00000
     30       0.0014      0.00000
     31      -0.1786      0.00000
     32       0.2792      0.00000
     33      -0.8002      0.00000
     34       0.8898      0.00000
     35      -0.2813      0.00000
     36       0.6203      0.00000
     37      -0.9034      0.00000
     38      -0.1141      0.00000
     39      -0.6416      0.00000
     40      -0.0989      0.00000

 k-point 194 :       0.0909    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0098      0.00000
      2       0.0409      0.00000
      3      -0.1283      0.00000
      4       0.1701      0.00000
      5       0.0564      0.00000
      6       0.5563      0.00000
      7      -0.6293      0.00000
      8       0.1217      0.00000
      9      -0.0513      0.00000
     10      -0.0217      0.00000
     11      -0.0370      0.00000
     12       0.1737      0.00000
     13      -0.2428      0.00000
     14       0.0945      0.00000
     15      -0.4207      0.00000
     16       0.3405      0.00000
     17      -0.5070      0.00000
     18       0.3485      0.00000
     19      -0.5866      0.00000
     20      -0.2454      0.00000
     21       0.6267      0.00000
     22       1.0617      0.00000
     23      -0.6366      0.00000
     24       0.5300      0.00000
     25      -1.5840      0.00000
     26      -0.8118      0.00000
     27       0.7960      0.00000
     28       1.7454      0.00000
     29       0.3371      0.00000
     30       1.9611      0.00000
     31      -2.5900      0.00000
     32      -1.5755      0.00000
     33      -0.7474      0.00000
     34       2.1294      0.00000
     35      -0.1141      0.00000
     36       1.0826      0.00000
     37      -0.1499      0.00000
     38       0.5063      0.00000
     39      -1.9961      0.00000
     40      -0.4865      0.00000

 k-point 195 :       0.1818    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0141      0.00000
      2       0.0343      0.00000
      3      -0.1288      0.00000
      4       0.1693      0.00000
      5      -0.0130      0.00000
      6       0.2333      0.00000
      7      -0.3357      0.00000
      8       0.1942      0.00000
      9      -0.0898      0.00000
     10       0.0280      0.00000
     11      -0.0382      0.00000
     12       0.1289      0.00000
     13      -0.2685      0.00000
     14       0.1652      0.00000
     15      -0.3548      0.00000
     16       0.2413      0.00000
     17      -0.4529      0.00000
     18       0.4161      0.00000
     19      -0.6561      0.00000
     20      -0.2339      0.00000
     21       0.5431      0.00000
     22       1.0891      0.00000
     23      -0.8427      0.00000
     24       0.4631      0.00000
     25      -1.4135      0.00000
     26      -0.3073      0.00000
     27       0.4528      0.00000
     28       1.5599      0.00000
     29      -0.2074      0.00000
     30       0.4398      0.00000
     31      -0.9604      0.00000
     32      -0.3007      0.00000
     33      -0.3011      0.00000
     34       0.6766      0.00000
     35      -0.1535      0.00000
     36       0.7836      0.00000
     37       0.2229      0.00000
     38       0.2405      0.00000
     39      -0.5408      0.00000
     40      -0.2219      0.00000

 k-point 196 :       0.2727   -0.6364    0.5000
  band No.  band energies     occupation 
      1      -0.0172      0.00000
      2       0.0306      0.00000
      3      -0.1436      0.00000
      4       0.1507      0.00000
      5      -0.1388      0.00000
      6       0.1873      0.00000
      7      -0.2968      0.00000
      8       0.5904      0.00000
      9      -0.1577      0.00000
     10      -0.0068      0.00000
     11      -0.0439      0.00000
     12       0.0642      0.00000
     13      -0.5672      0.00000
     14       0.2379      0.00000
     15      -0.1224      0.00000
     16       0.1689      0.00000
     17      -0.4312      0.00000
     18       0.4454      0.00000
     19      -0.4317      0.00000
     20       0.1972      0.00000
     21      -0.3354      0.00000
     22       0.2341      0.00000
     23      -0.4706      0.00000
     24       0.8302      0.00000
     25      -0.6298      0.00000
     26       0.7793      0.00000
     27      -0.8306      0.00000
     28       0.8106      0.00000
     29      -0.2420      0.00000
     30       0.2887      0.00000
     31       0.1047      0.00000
     32       0.3200      0.00000
     33      -0.8670      0.00000
     34      -0.3524      0.00000
     35       0.1921      0.00000
     36       0.3020      0.00000
     37       0.0425      0.00000
     38       0.4240      0.00000
     39      -0.4269      0.00000
     40      -0.1083      0.00000

 k-point 197 :      -0.2727    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0036      0.00000
      2       0.0540      0.00000
      3      -0.2686      0.00000
      4       0.2052      0.00000
      5      -0.1984      0.00000
      6       0.2843      0.00000
      7       0.0320      0.00000
      8       0.6238      0.00000
      9      -0.0029      0.00000
     10      -0.0107      0.00000
     11      -0.1147      0.00000
     12      -0.0291      0.00000
     13      -0.8733      0.00000
     14      -0.0421      0.00000
     15      -0.4469      0.00000
     16       0.3482      0.00000
     17      -0.2134      0.00000
     18       0.4145      0.00000
     19      -0.4090      0.00000
     20       0.1772      0.00000
     21       0.0653      0.00000
     22       0.6126      0.00000
     23      -1.3211      0.00000
     24      -0.3845      0.00000
     25       0.6931      0.00000
     26       1.6206      0.00000
     27      -0.7173      0.00000
     28       0.6507      0.00000
     29      -1.6347      0.00000
     30      -0.2775      0.00000
     31       1.6771      0.00000
     32       2.5501      0.00000
     33      -2.2090      0.00000
     34      -1.2915      0.00000
     35      -0.9560      0.00000
     36       0.1154      0.00000
     37      -1.1599      0.00000
     38       0.1364      0.00000
     39       0.0665      0.00000
     40       1.0933      0.00000

 k-point 198 :      -0.1818    0.3636    0.5000
  band No.  band energies     occupation 
      1      -0.0028      0.00000
      2       0.0561      0.00000
      3      -0.3338      0.00000
      4       0.2023      0.00000
      5      -0.1880      0.00000
      6       0.4016      0.00000
      7       0.0275      0.00000
      8       0.6773      0.00000
      9       0.0068      0.00000
     10      -0.0472      0.00000
     11      -0.1407      0.00000
     12      -0.0235      0.00000
     13      -1.0865      0.00000
     14      -0.1112      0.00000
     15      -0.2671      0.00000
     16       0.2610      0.00000
     17      -0.1136      0.00000
     18       0.4299      0.00000
     19      -0.3545      0.00000
     20       0.2859      0.00000
     21      -0.2549      0.00000
     22       0.5309      0.00000
     23      -1.5652      0.00000
     24      -0.2905      0.00000
     25       1.2002      0.00000
     26       2.0757      0.00000
     27      -1.4773      0.00000
     28       0.6737      0.00000
     29      -1.8233      0.00000
     30       0.6335      0.00000
     31       3.0051      0.00000
     32       3.3846      0.00000
     33      -3.4505      0.00000
     34      -2.8108      0.00000
     35      -0.9674      0.00000
     36      -0.6627      0.00000
     37      -1.0748      0.00000
     38      -0.3465      0.00000
     39       1.0339      0.00000
     40       2.3781      0.00000

 k-point 199 :      -0.0000    0.4545    0.5000
  band No.  band energies     occupation 
      1      -0.0063      0.00000
      2       0.0572      0.00000
      3      -0.1403      0.00000
      4       0.2073      0.00000
      5       0.0017      0.00000
      6       0.8240      0.00000
      7      -0.6082      0.00000
      8       0.2146      0.00000
      9      -0.0059      0.00000
     10       0.0090      0.00000
     11      -0.0279      0.00000
     12      -0.0190      0.00000
     13      -0.5372      0.00000
     14       0.0553      0.00000
     15      -0.5083      0.00000
     16       0.0346      0.00000
     17      -0.3341      0.00000
     18       0.5442      0.00000
     19      -0.6991      0.00000
     20      -0.0745      0.00000
     21       0.6296      0.00000
     22       0.8673      0.00000
     23      -0.7995      0.00000
     24       0.0597      0.00000
     25      -0.6128      0.00000
     26       0.0185      0.00000
     27       0.3579      0.00000
     28       1.4435      0.00000
     29      -0.7203      0.00000
     30      -0.0790      0.00000
     31      -0.4301      0.00000
     32       0.1775      0.00000
     33      -0.7245      0.00000
     34       0.9734      0.00000
     35      -0.0819      0.00000
     36       1.0778      0.00000
     37      -0.5970      0.00000
     38      -0.2862      0.00000
     39      -1.0705      0.00000
     40      -0.4624      0.00000

 k-point 200 :       0.0909   -0.5455    0.5000
  band No.  band energies     occupation 
      1      -0.0071      0.00000
      2       0.0540      0.00000
      3      -0.1286      0.00000
      4       0.1976      0.00000
      5      -0.0003      0.00000
      6       0.4800      0.00000
      7      -0.2523      0.00000
      8       0.2246      0.00000
      9      -0.0380      0.00000
     10      -0.0142      0.00000
     11      -0.0033      0.00000
     12      -0.0101      0.00000
     13      -0.5620      0.00000
     14       0.0616      0.00000
     15      -0.5420      0.00000
     16       0.2902      0.00000
     17      -0.3814      0.00000
     18       0.4214      0.00000
     19      -0.7142      0.00000
     20      -0.0786      0.00000
     21       0.5349      0.00000
     22       0.8581      0.00000
     23      -0.8437      0.00000
     24       0.3253      0.00000
     25      -0.7994      0.00000
     26       0.1833      0.00000
     27       0.2042      0.00000
     28       1.4040      0.00000
     29      -1.2801      0.00000
     30       0.2827      0.00000
     31      -0.4297      0.00000
     32       0.6628      0.00000
     33      -0.9747      0.00000
     34       0.7957      0.00000
     35      -0.0808      0.00000
     36       0.9068      0.00000
     37      -0.3664      0.00000
     38      -0.0468      0.00000
     39      -1.0209      0.00000
     40      -0.5165      0.00000

 k-point 201 :       0.1818   -0.5455    0.5000
  band No.  band energies     occupation 
      1      -0.0074      0.00000
      2       0.0510      0.00000
      3      -0.1528      0.00000
      4       0.1877      0.00000
      5      -0.1691      0.00000
      6       0.2780      0.00000
      7      -0.0954      0.00000
      8       0.7926      0.00000
      9      -0.1414      0.00000
     10      -0.0308      0.00000
     11      -0.1131      0.00000
     12       0.0281      0.00000
     13      -0.8826      0.00000
     14       0.0001      0.00000
     15      -0.3594      0.00000
     16       0.3577      0.00000
     17      -0.2656      0.00000
     18       0.3462      0.00000
     19      -0.5533      0.00000
     20       0.2795      0.00000
     21      -0.2180      0.00000
     22       0.2920      0.00000
     23      -0.7008      0.00000
     24       0.6874      0.00000
     25       0.0213      0.00000
     26       1.1523      0.00000
     27      -1.1191      0.00000
     28       0.7893      0.00000
     29      -1.1121      0.00000
     30       0.4882      0.00000
     31       0.4613      0.00000
     32       1.0972      0.00000
     33      -1.2642      0.00000
     34      -0.3762      0.00000
     35      -0.7359      0.00000
     36       0.1103      0.00000
     37       0.0329      0.00000
     38       0.3593      0.00000
     39      -0.6037      0.00000
     40      -0.0281      0.00000

 k-point 202 :       0.2727   -0.5455    0.5000
  band No.  band energies     occupation 
      1      -0.0075      0.00000
      2       0.0497      0.00000
      3      -0.1888      0.00000
      4       0.1771      0.00000
      5      -0.2042      0.00000
      6       0.2515      0.00000
      7      -0.1154      0.00000
      8       1.1356      0.00000
      9      -0.2544      0.00000
     10      -0.0244      0.00000
     11      -0.1489      0.00000
     12       0.0338      0.00000
     13      -1.1579      0.00000
     14      -0.0793      0.00000
     15      -0.1475      0.00000
     16       0.4201      0.00000
     17      -0.2065      0.00000
     18       0.3049      0.00000
     19      -0.3018      0.00000
     20       0.7408      0.00000
     21      -1.5190      0.00000
     22      -0.9666      0.00000
     23       0.1182      0.00000
     24       1.5871      0.00000
     25       0.9094      0.00000
     26       1.7252      0.00000
     27      -2.4071      0.00000
     28       0.2378      0.00000
     29      -1.0911      0.00000
     30       1.1136      0.00000
     31       1.1790      0.00000
     32       1.7762      0.00000
     33      -2.5097      0.00000
     34      -1.3082      0.00000
     35      -0.6227      0.00000
     36       0.0132      0.00000
     37       0.1742      0.00000
     38       0.9894      0.00000
     39      -0.5893      0.00000
     40       0.1804      0.00000

 k-point 203 :      -0.3636    0.4545    0.5000
  band No.  band energies     occupation 
      1      -0.0052      0.00000
      2       0.0593      0.00000
      3      -0.1719      0.00000
      4       0.2069      0.00000
      5      -0.0478      0.00000
      6       0.2202      0.00000
      7      -0.0216      0.00000
      8       0.5730      0.00000
      9      -0.0079      0.00000
     10       0.0126      0.00000
     11      -0.1524      0.00000
     12      -0.0203      0.00000
     13      -0.8206      0.00000
     14      -0.0017      0.00000
     15      -0.5738      0.00000
     16       0.3431      0.00000
     17      -0.2720      0.00000
     18       0.4353      0.00000
     19      -0.5786      0.00000
     20       0.1517      0.00000
     21       0.2325      0.00000
     22       0.5727      0.00000
     23      -1.0765      0.00000
     24       0.0056      0.00000
     25       0.3422      0.00000
     26       1.1083      0.00000
     27      -0.5632      0.00000
     28       0.9066      0.00000
     29      -2.5426      0.00000
     30      -0.9259      0.00000
     31       1.5314      0.00000
     32       2.6835      0.00000
     33      -1.1386      0.00000
     34       0.1192      0.00000
     35      -1.7712      0.00000
     36       0.9644      0.00000
     37      -0.6898      0.00000
     38      -0.3689      0.00000
     39       0.0740      0.00000
     40       0.5606      0.00000

 k-point 204 :      -0.2727    0.4545    0.5000
  band No.  band energies     occupation 
      1      -0.0044      0.00000
      2       0.0602      0.00000
      3      -0.2353      0.00000
      4       0.2008      0.00000
      5      -0.1426      0.00000
      6       0.1816      0.00000
      7       0.0262      0.00000
      8       0.9696      0.00000
      9      -0.0359      0.00000
     10      -0.0406      0.00000
     11      -0.2002      0.00000
     12      -0.0077      0.00000
     13      -1.2156      0.00000
     14      -0.1099      0.00000
     15      -0.3219      0.00000
     16       0.4572      0.00000
     17      -0.1057      0.00000
     18       0.2855      0.00000
     19      -0.3939      0.00000
     20       0.4482      0.00000
     21      -0.5299      0.00000
     22       0.0581      0.00000
     23      -0.9691      0.00000
     24       0.3841      0.00000
     25       1.3346      0.00000
     26       1.7358      0.00000
     27      -1.8825      0.00000
     28       0.5168      0.00000
     29      -1.9578      0.00000
     30       0.6952      0.00000
     31       1.8404      0.00000
     32       2.7636      0.00000
     33      -2.3147      0.00000
     34      -1.2933      0.00000
     35      -2.0034      0.00000
     36      -0.7879      0.00000
     37       0.3429      0.00000
     38       1.1047      0.00000
     39       0.1989      0.00000
     40       0.7752      0.00000


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


 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.13: real time    3.13
    STRESS:  cpu time    6.37: real time    6.38
    FORCOR:  cpu time    0.06: real time    0.06
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.12: real time    3.13
    STRESS:  cpu time    6.37: real time    6.38
    FORCOR:  cpu time    0.06: real time    0.06
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.12: real time    3.13
    STRESS:  cpu time    6.38: real time    6.38
    FORCOR:  cpu time    0.06: real time    0.06
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.12: real time    3.13
    STRESS:  cpu time    6.38: real time    6.38
    FORCOR:  cpu time    0.07: real time    0.07

 INTERNAL STRAIN TENSOR  FOR ION    3  DIRECTION 1   (eV/Angst):
 -----------------------------------------------------------------------------
    -7.13579  0.00000  3.69214
     0.00000  7.13970  0.00000
     3.93661  0.00000 -0.00085


 POSITION                   FORCE-CONSTANT FOR ION    3 DIRECTION 1 (eV/Angst/Angst)
 -----------------------------------------------------------------------------------
      0.95120      1.64753      0.00476         0.115394      0.000000     -0.000043
      1.90240      0.00000      2.64717         6.424565      0.000000      0.000462
      0.95120      1.64753      2.01669        -7.398421     -0.000000     -0.000390
      1.90240      0.00000      4.65910         0.858462      0.000000     -0.000029
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000      0.000000


 BORN EFFECTIVE CHARGE FOR ION    3 DIRECTION 1 :  -2.140   0.000   0.000
                   rigid augmentation           :  -0.624   0.000   0.000
                   ionic contribution           :   6.000   0.000   0.000
                   Berry contribution           :  -7.517   0.000   0.000


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


 Linear response progress:
  Degree of freedom:   4/  4
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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  6 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.


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


   POT+DIJ:  cpu time    0.31: real time    0.31
    HAMIL1:  cpu time    2.16: real time    2.16
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    9.34: real time    9.35
    LRDIAG:  cpu time    0.18: real time    0.18
    --------------------------------------------
      LOOP:  cpu time   12.16: real time   12.18

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12296656
  -V(xc)+E(xc)   XCENC  =         0.00043891
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.26174673
  ---------------------------------------------------
  free energy    TOTEN  =        -0.38427438 eV

  energy without entropy =       -0.38427438


----------------------------------------- Iteration   12(   2)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.16: real time    2.16
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    7.61: real time    7.62
    LRDIAG:  cpu time    0.18: real time    0.18
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.24: real time   11.26

 Broyden mixing:
  rms(total) = 0.13026E+01    rms(broyden)= 0.13024E+01
  rms(prec ) = 0.17383E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12296656
  -V(xc)+E(xc)   XCENC  =         0.00043891
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.25349258
  ---------------------------------------------------
  free energy    TOTEN  =        -0.37602023 eV

  energy without entropy =       -0.37602023


----------------------------------------- Iteration   12(   3)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.16: real time    2.16
    LRDIAG:  cpu time    0.19: real time    0.19
    LRDIIS:  cpu time    7.81: real time    7.82
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.44: real time   11.46

 Broyden mixing:
  rms(total) = 0.68005E+00    rms(broyden)= 0.68003E+00
  rms(prec ) = 0.85764E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0375
  2.0375

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.13071402
  -V(xc)+E(xc)   XCENC  =         0.00046410
  PAW double counting   =         0.00179769       -0.00180405
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24678400
  ---------------------------------------------------
  free energy    TOTEN  =        -0.37704028 eV

  energy without entropy =       -0.37704028


----------------------------------------- Iteration   12(   4)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.16: real time    2.16
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    7.44: real time    7.45
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.06: real time   11.08

 Broyden mixing:
  rms(total) = 0.15576E+00    rms(broyden)= 0.15575E+00
  rms(prec ) = 0.17995E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6819
  2.3581  1.0056

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.13740219
  -V(xc)+E(xc)   XCENC  =         0.00048767
  PAW double counting   =         0.00690491       -0.00691693
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24136200
  ---------------------------------------------------
  free energy    TOTEN  =        -0.37828853 eV

  energy without entropy =       -0.37828853


----------------------------------------- Iteration   12(   5)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.31
    HAMIL1:  cpu time    2.16: real time    2.16
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.29: real time    8.30
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.91: real time   11.93

 Broyden mixing:
  rms(total) = 0.43500E-01    rms(broyden)= 0.43496E-01
  rms(prec ) = 0.62986E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7525
  2.4685  1.0210  1.7678

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.13778070
  -V(xc)+E(xc)   XCENC  =         0.00048971
  PAW double counting   =         0.00821308       -0.00822819
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24110593
  ---------------------------------------------------
  free energy    TOTEN  =        -0.37841202 eV

  energy without entropy =       -0.37841202


----------------------------------------- Iteration   12(   6)  ---------------------------------------


   POT+DIJ:  cpu time    0.30: real time    0.30
    HAMIL1:  cpu time    2.16: real time    2.16
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.03: real time    8.04
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.65: real time   11.67

 Broyden mixing:
  rms(total) = 0.63661E-02    rms(broyden)= 0.63652E-02
  rms(prec ) = 0.98183E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5537
  2.4997  1.8047  1.0300  0.8804

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.13737609
  -V(xc)+E(xc)   XCENC  =         0.00048864
  PAW double counting   =         0.00841389       -0.00843032
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24144720
  ---------------------------------------------------
  free energy    TOTEN  =        -0.37835107 eV

  energy without entropy =       -0.37835107


----------------------------------------- Iteration   12(   7)  ---------------------------------------


   POT+DIJ:  cpu time    0.31: real time    0.31
    HAMIL1:  cpu time    2.16: real time    2.16
    LRDIAG:  cpu time    0.18: real time    0.18
    LRDIIS:  cpu time    8.31: real time    8.32
    LRDIAG:  cpu time    0.17: real time    0.17
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   11.94: real time   11.96

 Broyden mixing:
  rms(total) = 0.34763E-02    rms(broyden)= 0.34761E-02
  rms(prec ) = 0.49230E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6176
  2.5053  2.0381  1.7871  1.0159  0.7418

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.13737776
  -V(xc)+E(xc)   XCENC  =         0.00048862
  PAW double counting   =         0.00842668       -0.00844299
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =        -0.24144413
  ---------------------------------------------------
  free energy    TOTEN  =        -0.37834957 eV

  energy without entropy =       -0.37834957

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0117      0.00000
      2      -0.0721      0.00000
      3      -0.4035      0.00000
      4      -0.4035      0.00000
      5       0.9293      0.00000
      6      -0.7742      0.00000
      7      -0.7742      0.00000
      8       0.6267      0.00000
      9       0.0391      0.00000
     10       0.0391      0.00000
     11      -0.0280      0.00000
     12      -0.0280      0.00000
     13       0.5658      0.00000
     14       0.8497      0.00000
     15       0.8497      0.00000
     16      -0.4597      0.00000
     17       0.1146      0.00000
     18       0.1146      0.00000
     19       0.1109      0.00000
     20      -0.5235      0.00000
     21      -0.3871      0.00000
     22      -0.1053      0.00000
     23      -0.1053      0.00000
     24      -0.5078      0.00000
     25      -0.3419      0.00000
     26      -0.3419      0.00000
     27      -0.1086      0.00000
     28       1.0119      0.00000
     29       1.0119      0.00000
     30      -0.2094      0.00000
     31       0.3393      0.00000
     32       0.3393      0.00000
     33      -0.2463      0.00000
     34      -1.6480      0.00000
     35      -0.0439      0.00000
     36      -0.0439      0.00000
     37       1.8453      0.00000
     38      -0.7536      0.00000
     39      -0.7531      0.00000
     40      -1.2685      0.00000

 k-point   2 :       0.0909    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0151      0.00000
      2      -0.0646      0.00000
      3      -0.3467      0.00000
      4      -0.3635      0.00000
      5       0.8523      0.00000
      6      -0.6392      0.00000
      7      -0.7583      0.00000
      8       0.4028      0.00000
      9       0.0366      0.00000
     10       0.0296      0.00000
     11      -0.0283      0.00000
     12       0.0856      0.00000
     13       0.5741      0.00000
     14       0.7594      0.00000
     15       0.8060      0.00000
     16       0.0723      0.00000
     17      -0.3999      0.00000
     18       0.0332      0.00000
     19       0.0983      0.00000
     20      -0.4644      0.00000
     21      -0.4092      0.00000
     22      -0.1206      0.00000
     23       0.0018      0.00000
     24      -0.2873      0.00000
     25      -0.6936      0.00000
     26      -0.0917      0.00000
     27       0.6351      0.00000
     28       0.5694      0.00000
     29      -0.0459      0.00000
     30       0.4458      0.00000
     31      -0.3434      0.00000
     32       0.5034      0.00000
     33      -0.1324      0.00000
     34      -0.8955      0.00000
     35       0.0418      0.00000
     36      -0.0555      0.00000
     37      -0.5594      0.00000
     38       1.5158      0.00000
     39      -0.7554      0.00000
     40      -1.3395      0.00000

 k-point   3 :       0.1818    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0242      0.00000
      2      -0.0444      0.00000
      3      -0.3187      0.00000
      4      -0.2427      0.00000
      5       0.1544      0.00000
      6       0.1313      0.00000
      7      -0.7166      0.00000
      8       0.0121      0.00000
      9       0.0348      0.00000
     10      -0.0011      0.00000
     11      -0.0275      0.00000
     12       0.5245      0.00000
     13       0.4671      0.00000
     14       0.5719      0.00000
     15      -0.0459      0.00000
     16       0.6902      0.00000
     17      -0.2853      0.00000
     18      -0.1850      0.00000
     19       0.0975      0.00000
     20      -0.3264      0.00000
     21      -0.4449      0.00000
     22      -0.0012      0.00000
     23      -0.2302      0.00000
     24       0.3096      0.00000
     25      -1.5005      0.00000
     26       0.6461      0.00000
     27       1.2785      0.00000
     28      -0.2912      0.00000
     29      -0.3828      0.00000
     30       0.7050      0.00000
     31       0.1514      0.00000
     32      -0.0344      0.00000
     33       0.5130      0.00000
     34      -0.7518      0.00000
     35      -0.0861      0.00000
     36      -0.4300      0.00000
     37      -0.1495      0.00000
     38      -0.9976      0.00000
     39      -0.7822      0.00000
     40       1.3852      0.00000

 k-point   4 :       0.2727    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0357      0.00000
      2      -0.0174      0.00000
      3      -0.2523      0.00000
      4      -0.1767      0.00000
      5      -0.0621      0.00000
      6       0.4615      0.00000
      7      -0.6597      0.00000
      8      -0.1795      0.00000
      9      -0.0879      0.00000
     10      -0.0455      0.00000
     11      -0.0229      0.00000
     12       0.6974      0.00000
     13       0.6042      0.00000
     14       0.4089      0.00000
     15      -0.3229      0.00000
     16       0.5375      0.00000
     17      -0.0675      0.00000
     18      -0.4742      0.00000
     19       0.1142      0.00000
     20      -0.1047      0.00000
     21      -0.3947      0.00000
     22       0.1451      0.00000
     23      -0.4138      0.00000
     24      -1.2183      0.00000
     25       0.9418      0.00000
     26       1.0043      0.00000
     27       0.2004      0.00000
     28      -1.0175      0.00000
     29       0.1038      0.00000
     30       1.0671      0.00000
     31       0.0068      0.00000
     32      -0.1722      0.00000
     33      -0.5422      0.00000
     34       0.4582      0.00000
     35      -0.1254      0.00000
     36      -0.3665      0.00000
     37      -0.1603      0.00000
     38      -0.8918      0.00000
     39       0.5209      0.00000
     40      -0.2935      0.00000

 k-point   5 :       0.3636    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0454      0.00000
      2       0.0084      0.00000
      3      -0.1538      0.00000
      4      -0.2507      0.00000
      5       0.1100      0.00000
      6       0.4145      0.00000
      7      -0.5982      0.00000
      8       0.5432      0.00000
      9      -0.3731      0.00000
     10      -0.0723      0.00000
     11      -0.0134      0.00000
     12       0.1840      0.00000
     13       0.5482      0.00000
     14       0.2887      0.00000
     15      -0.4570      0.00000
     16       0.3900      0.00000
     17       0.2189      0.00000
     18      -0.7507      0.00000
     19       0.1347      0.00000
     20       0.1593      0.00000
     21      -0.0557      0.00000
     22       0.1462      0.00000
     23      -0.9946      0.00000
     24      -1.0733      0.00000
     25       1.9181      0.00000
     26       0.5604      0.00000
     27      -0.8014      0.00000
     28       0.8466      0.00000
     29      -1.3855      0.00000
     30       1.1825      0.00000
     31       0.2637      0.00000
     32      -0.4273      0.00000
     33      -0.4511      0.00000
     34      -0.1556      0.00000
     35       0.4285      0.00000
     36      -0.9073      0.00000
     37       0.2819      0.00000
     38      -0.0412      0.00000
     39       0.5394      0.00000
     40       0.3292      0.00000

 k-point   6 :       0.4545    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.0501      0.00000
      2       0.0248      0.00000
      3      -0.0344      0.00000
      4      -0.3955      0.00000
      5       0.2070      0.00000
      6       0.3942      0.00000
      7       0.9612      0.00000
      8      -0.5532      0.00000
      9       0.1386      0.00000
     10      -0.0723      0.00000
     11      -0.0033      0.00000
     12      -0.0102      0.00000
     13      -0.1187      0.00000
     14      -0.7919      0.00000
     15       0.3102      0.00000
     16       0.2946      0.00000
     17       0.4484      0.00000
     18      -0.9243      0.00000
     19       0.1242      0.00000
     20       0.1313      0.00000
     21       0.5423      0.00000
     22      -0.0232      0.00000
     23      -1.4272      0.00000
     24      -1.0152      0.00000
     25       2.2201      0.00000
     26       0.4953      0.00000
     27      -1.2272      0.00000
     28       0.9114      0.00000
     29       1.5623      0.00000
     30      -1.6349      0.00000
     31       0.4221      0.00000
     32      -0.5644      0.00000
     33      -0.3678      0.00000
     34      -0.2062      0.00000
     35       0.2956      0.00000
     36      -0.4219      0.00000
     37       0.0730      0.00000
     38       0.7640      0.00000
     39      -0.0840      0.00000
     40      -0.0131      0.00000

 k-point   7 :       0.0909    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.0213      0.00000
      2      -0.0508      0.00000
      3      -0.3562      0.00000
      4      -0.2205      0.00000
      5       0.8042      0.00000
      6      -0.6590      0.00000
      7      -0.6470      0.00000
      8       0.1338      0.00000
      9       0.0295      0.00000
     10       0.0170      0.00000
     11      -0.0279      0.00000
     12       0.3390      0.00000
     13       0.5487      0.00000
     14       0.6423      0.00000
     15       0.4323      0.00000
     16       0.2720      0.00000
     17      -0.3191      0.00000
     18      -0.1245      0.00000
     19       0.0979      0.00000
     20      -0.3651      0.00000
     21      -0.4389      0.00000
     22      -0.0431      0.00000
     23      -0.2168      0.00000
     24       0.4685      0.00000
     25      -0.8403      0.00000
     26      -0.1188      0.00000
     27       0.9336      0.00000
     28      -0.0214      0.00000
     29      -0.4584      0.00000
     30       0.1670      0.00000
     31       0.4787      0.00000
     32       0.4149      0.00000
     33       0.4394      0.00000
     34      -0.8399      0.00000
     35      -0.1078      0.00000
     36      -0.3705      0.00000
     37      -0.3331      0.00000
     38      -1.1402      0.00000
     39      -0.6560      0.00000
     40       1.3901      0.00000

 k-point   8 :       0.1818    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.0316      0.00000
      2      -0.0272      0.00000
      3      -0.3126      0.00000
      4      -0.1045      0.00000
      5       0.1396      0.00000
      6       0.0004      0.00000
      7      -0.5276      0.00000
      8      -0.2013      0.00000
      9       0.0166      0.00000
     10      -0.0174      0.00000
     11      -0.0246      0.00000
     12       0.7793      0.00000
     13       0.4430      0.00000
     14       0.4522      0.00000
     15       0.1795      0.00000
     16       0.1896      0.00000
     17      -0.1423      0.00000
     18      -0.3924      0.00000
     19       0.1130      0.00000
     20      -0.1607      0.00000
     21      -0.4450      0.00000
     22       0.0831      0.00000
     23      -0.2194      0.00000
     24      -0.1978      0.00000
     25       0.3130      0.00000
     26      -0.2038      0.00000
     27       0.5051      0.00000
     28       0.0396      0.00000
     29      -0.3430      0.00000
     30       0.9391      0.00000
     31      -0.1760      0.00000
     32       0.3730      0.00000
     33      -1.0300      0.00000
     34       0.3439      0.00000
     35      -0.2243      0.00000
     36      -0.2202      0.00000
     37      -0.3919      0.00000
     38      -0.3412      0.00000
     39      -0.3242      0.00000
     40       0.4283      0.00000

 k-point   9 :       0.2727    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.0421      0.00000
      2      -0.0009      0.00000
      3      -0.2060      0.00000
      4      -0.1204      0.00000
      5       0.0990      0.00000
      6       0.2085      0.00000
      7      -0.4525      0.00000
      8      -0.0054      0.00000
      9      -0.2413      0.00000
     10       0.0115      0.00000
     11      -0.0168      0.00000
     12       0.3986      0.00000
     13       0.7455      0.00000
     14       0.3147      0.00000
     15      -0.2392      0.00000
     16       0.1977      0.00000
     17       0.0515      0.00000
     18      -0.6448      0.00000
     19       0.1365      0.00000
     20       0.1756      0.00000
     21      -0.3010      0.00000
     22       0.2140      0.00000
     23      -0.6179      0.00000
     24      -0.6644      0.00000
     25       1.0237      0.00000
     26      -0.0329      0.00000
     27       0.1690      0.00000
     28       0.1699      0.00000
     29      -0.4237      0.00000
     30       0.8233      0.00000
     31       0.2861      0.00000
     32      -0.2657      0.00000
     33      -0.4452      0.00000
     34      -0.1408      0.00000
     35      -0.3474      0.00000
     36      -0.3352      0.00000
     37      -0.4128      0.00000
     38       0.1990      0.00000
     39       0.9694      0.00000
     40      -0.3882      0.00000

 k-point  10 :       0.3636    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.0488      0.00000
      2       0.0204      0.00000
      3      -0.0564      0.00000
      4      -0.2467      0.00000
      5       0.1651      0.00000
      6       0.1932      0.00000
      7       0.4398      0.00000
      8      -0.1007      0.00000
      9      -0.1817      0.00000
     10       0.0480      0.00000
     11      -0.0087      0.00000
     12      -0.0356      0.00000
     13       0.1187      0.00000
     14      -0.0246      0.00000
     15      -0.1747      0.00000
     16       0.2917      0.00000
     17       0.2683      0.00000
     18      -0.8544      0.00000
     19       0.1453      0.00000
     20       0.1782      0.00000
     21       0.4712      0.00000
     22       0.0623      0.00000
     23      -1.2623      0.00000
     24      -0.7997      0.00000
     25       1.2373      0.00000
     26       0.2498      0.00000
     27      -0.0643      0.00000
     28       0.6784      0.00000
     29       0.5952      0.00000
     30      -0.7220      0.00000
     31       0.3834      0.00000
     32      -0.4186      0.00000
     33      -0.4021      0.00000
     34      -0.2348      0.00000
     35      -0.1038      0.00000
     36      -0.0325      0.00000
     37       0.1263      0.00000
     38      -0.4942      0.00000
     39       0.8216      0.00000
     40       0.3500      0.00000

 k-point  11 :       0.4545    0.0909    0.0000
  band No.  band energies     occupation 
      1       0.0506      0.00000
      2       0.0291      0.00000
      3       0.0422      0.00000
      4      -0.4198      0.00000
      5       0.2156      0.00000
      6       0.0916      0.00000
      7       1.2345      0.00000
      8      -0.4613      0.00000
      9       0.2381      0.00000
     10      -0.1013      0.00000
     11       0.0027      0.00000
     12      -0.0813      0.00000
     13       0.1256      0.00000
     14      -1.3566      0.00000
     15       0.4931      0.00000
     16       0.2849      0.00000
     17       0.3805      0.00000
     18      -0.9375      0.00000
     19       0.1065      0.00000
     20       0.2549      0.00000
     21       0.7763      0.00000
     22      -0.0661      0.00000
     23      -1.4665      0.00000
     24      -0.8022      0.00000
     25       1.0795      0.00000
     26       0.5046      0.00000
     27      -0.1126      0.00000
     28       0.8198      0.00000
     29       1.2280      0.00000
     30      -1.5613      0.00000
     31       0.3963      0.00000
     32      -0.1650      0.00000
     33      -0.7401      0.00000
     34      -0.1547      0.00000
     35      -0.1866      0.00000
     36       0.0479      0.00000
     37       0.0694      0.00000
     38       0.7219      0.00000
     39       0.2408      0.00000
     40      -0.1790      0.00000

 k-point  12 :       0.1818    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.0407      0.00000
      2      -0.0043      0.00000
      3      -0.3062      0.00000
      4       0.0625      0.00000
      5       0.5883      0.00000
      6      -0.4650      0.00000
      7      -0.3441      0.00000
      8      -0.3587      0.00000
      9       0.0258      0.00000
     10       0.0356      0.00000
     11      -0.0179      0.00000
     12       0.4322      0.00000
     13       0.7873      0.00000
     14       0.2939      0.00000
     15       0.2053      0.00000
     16      -0.1851      0.00000
     17      -0.7012      0.00000
     18       0.0550      0.00000
     19       0.1418      0.00000
     20       0.2018      0.00000
     21      -0.3312      0.00000
     22       0.1726      0.00000
     23      -0.3128      0.00000
     24      -0.8103      0.00000
     25       0.8110      0.00000
     26      -0.5702      0.00000
     27       0.1850      0.00000
     28       0.8087      0.00000
     29       0.0390      0.00000
     30       0.7876      0.00000
     31      -0.1755      0.00000
     32      -0.1082      0.00000
     33      -0.2011      0.00000
     34      -0.9843      0.00000
     35      -0.2873      0.00000
     36      -0.2366      0.00000
     37      -0.3033      0.00000
     38       0.3761      0.00000
     39       0.7970      0.00000
     40      -0.2228      0.00000

 k-point  13 :       0.2727    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.0478      0.00000
      2       0.0176      0.00000
      3      -0.0420      0.00000
      4      -0.0198      0.00000
      5       0.2814      0.00000
      6       0.0188      0.00000
      7      -0.1797      0.00000
      8      -0.1923      0.00000
      9      -0.1794      0.00000
     10       0.2988      0.00000
     11      -0.0144      0.00000
     12      -0.0396      0.00000
     13       0.5493      0.00000
     14       0.2116      0.00000
     15       0.1511      0.00000
     16      -0.3006      0.00000
     17      -0.7395      0.00000
     18      -0.0152      0.00000
     19       0.1623      0.00000
     20       0.6168      0.00000
     21       0.0491      0.00000
     22       0.2707      0.00000
     23      -0.9495      0.00000
     24      -0.5115      0.00000
     25       0.3388      0.00000
     26      -0.1781      0.00000
     27       0.2889      0.00000
     28       0.6098      0.00000
     29       0.3746      0.00000
     30       0.0058      0.00000
     31       0.5131      0.00000
     32      -0.4822      0.00000
     33      -0.2484      0.00000
     34      -0.5361      0.00000
     35      -0.2300      0.00000
     36      -0.6244      0.00000
     37      -0.1061      0.00000
     38       0.3596      0.00000
     39       0.5701      0.00000
     40       0.5449      0.00000

 k-point  14 :       0.3636    0.1818    0.0000
  band No.  band energies     occupation 
      1       0.0502      0.00000
      2       0.0322      0.00000
      3       0.1872      0.00000
      4       0.0617      0.00000
      5      -0.1629      0.00000
      6       0.1200      0.00000
      7       0.8597      0.00000
      8      -0.3195      0.00000
      9       0.0449      0.00000
     10       0.0064      0.00000
     11      -0.0555      0.00000
     12      -0.0302      0.00000
     13      -0.1362      0.00000
     14      -0.4794      0.00000
     15      -0.0868      0.00000
     16       0.4011      0.00000
     17      -0.1523      0.00000
     18      -0.6484      0.00000
     19       0.1312      0.00000
     20       0.5306      0.00000
     21       0.9608      0.00000
     22       0.0172      0.00000
     23      -1.3404      0.00000
     24      -0.1177      0.00000
     25      -0.2787      0.00000
     26       0.1137      0.00000
     27       0.3922      0.00000
     28       0.5797      0.00000
     29       0.2130      0.00000
     30      -0.1813      0.00000
     31       0.3752      0.00000
     32      -0.1226      0.00000
     33      -0.2596      0.00000
     34      -0.3603      0.00000
     35      -0.3646      0.00000
     36      -0.1381      0.00000
     37      -0.5301      0.00000
     38       0.4555      0.00000
     39       0.8409      0.00000
     40       0.0429      0.00000

 k-point  15 :       0.2727    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0499      0.00000
      2       0.0334      0.00000
      3       0.3543      0.00000
      4      -0.1349      0.00000
      5       0.0743      0.00000
      6       0.3615      0.00000
      7      -0.0553      0.00000
      8      -0.4529      0.00000
      9       0.0568      0.00000
     10       0.4884      0.00000
     11      -0.0724      0.00000
     12       0.1177      0.00000
     13      -0.1489      0.00000
     14       0.1756      0.00000
     15      -0.6951      0.00000
     16       0.4102      0.00000
     17      -1.2983      0.00000
     18       0.3641      0.00000
     19       0.1582      0.00000
     20       1.1643      0.00000
     21       0.3175      0.00000
     22       0.3448      0.00000
     23      -0.9208      0.00000
     24      -0.9165      0.00000
     25      -0.0594      0.00000
     26      -0.1601      0.00000
     27       0.3534      0.00000
     28       0.5687      0.00000
     29       0.5024      0.00000
     30       0.5629      0.00000
     31      -0.5387      0.00000
     32       0.3694      0.00000
     33      -0.5050      0.00000
     34      -0.2299      0.00000
     35      -0.4494      0.00000
     36      -0.3448      0.00000
     37      -0.6452      0.00000
     38       0.5803      0.00000
     39       0.9167      0.00000
     40      -0.0072      0.00000

 k-point  16 :       0.3636    0.2727    0.0000
  band No.  band energies     occupation 
      1       0.0485      0.00000
      2       0.0413      0.00000
      3       0.4118      0.00000
      4       0.0669      0.00000
      5       0.1195      0.00000
      6      -0.3822      0.00000
      7       1.1476      0.00000
      8      -0.0600      0.00000
      9       0.3178      0.00000
     10      -0.1603      0.00000
     11      -0.4254      0.00000
     12      -0.1095      0.00000
     13      -0.1392      0.00000
     14      -0.0641      0.00000
     15      -0.6429      0.00000
     16       0.4634      0.00000
     17      -0.3767      0.00000
     18      -0.7124      0.00000
     19       0.0755      0.00000
     20       0.1935      0.00000
     21       1.7858      0.00000
     22       0.2941      0.00000
     23      -1.1750      0.00000
     24      -0.8155      0.00000
     25      -0.5407      0.00000
     26       0.2926      0.00000
     27       0.2453      0.00000
     28       0.6164      0.00000
     29       0.2739      0.00000
     30       0.5798      0.00000
     31      -0.2934      0.00000
     32       0.1805      0.00000
     33      -0.2912      0.00000
     34       0.0675      0.00000
     35      -0.4160      0.00000
     36      -0.3537      0.00000
     37      -0.2974      0.00000
     38      -0.9226      0.00000
     39       0.7739      0.00000
     40       1.0143      0.00000

 k-point  17 :       0.0000    0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0067      0.00000
      2      -0.0659      0.00000
      3      -0.4223      0.00000
      4      -0.4223      0.00000
      5       0.9236      0.00000
      6       0.6988      0.00000
      7      -0.7402      0.00000
      8      -0.7402      0.00000
      9       0.0328      0.00000
     10       0.0328      0.00000
     11      -0.0277      0.00000
     12      -0.0277      0.00000
     13       0.4505      0.00000
     14       0.7982      0.00000
     15       0.7982      0.00000
     16      -0.3018      0.00000
     17       0.1624      0.00000
     18       0.1624      0.00000
     19       0.0075      0.00000
     20      -0.3704      0.00000
     21      -0.5378      0.00000
     22      -0.1145      0.00000
     23      -0.1145      0.00000
     24      -0.6290      0.00000
     25      -0.3162      0.00000
     26      -0.3162      0.00000
     27       0.0452      0.00000
     28       1.0038      0.00000
     29       1.0038      0.00000
     30      -0.0876      0.00000
     31       0.4356      0.00000
     32       0.4356      0.00000
     33      -0.3736      0.00000
     34      -1.5219      0.00000
     35      -0.1091      0.00000
     36      -0.1091      0.00000
     37      -0.7293      0.00000
     38      -0.7293      0.00000
     39       1.6193      0.00000
     40      -1.0640      0.00000

 k-point  18 :       0.0909    0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0103      0.00000
      2      -0.0588      0.00000
      3       0.0173      0.00000
      4      -0.3927      0.00000
      5      -0.3515      0.00000
      6       1.0720      0.00000
      7      -0.7133      0.00000
      8      -0.3524      0.00000
      9       0.0334      0.00000
     10       0.0418      0.00000
     11      -0.0467      0.00000
     12       0.0310      0.00000
     13       0.4766      0.00000
     14       0.7974      0.00000
     15      -0.2510      0.00000
     16       0.7563      0.00000
     17      -0.0273      0.00000
     18       0.0806      0.00000
     19       0.0749      0.00000
     20      -0.3132      0.00000
     21      -0.5963      0.00000
     22       0.2798      0.00000
     23      -0.3682      0.00000
     24      -1.3263      0.00000
     25      -0.2684      0.00000
     26       0.4369      0.00000
     27       1.3269      0.00000
     28       0.2516      0.00000
     29      -0.0102      0.00000
     30      -0.0621      0.00000
     31      -0.4493      0.00000
     32       1.0700      0.00000
     33      -0.5839      0.00000
     34       0.0964      0.00000
     35       0.4298      0.00000
     36      -1.2063      0.00000
     37      -1.8053      0.00000
     38       1.3044      0.00000
     39       1.4746      0.00000
     40      -1.8276      0.00000

 k-point  19 :       0.1818    0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0200      0.00000
      2      -0.0396      0.00000
      3      -0.0758      0.00000
      4      -0.4890      0.00000
      5      -0.2822      0.00000
      6       0.7975      0.00000
      7      -0.6609      0.00000
      8      -0.0163      0.00000
      9       0.0952      0.00000
     10       0.0320      0.00000
     11      -0.0629      0.00000
     12       0.1046      0.00000
     13       0.5451      0.00000
     14       0.6514      0.00000
     15      -0.2518      0.00000
     16       0.6336      0.00000
     17      -0.1346      0.00000
     18      -0.1330      0.00000
     19       0.2117      0.00000
     20      -0.1273      0.00000
     21      -0.9664      0.00000
     22       0.6381      0.00000
     23      -1.2720      0.00000
     24      -0.3031      0.00000
     25      -1.1382      0.00000
     26       1.3471      0.00000
     27       2.5017      0.00000
     28      -0.4188      0.00000
     29      -1.2230      0.00000
     30       0.5606      0.00000
     31      -0.3832      0.00000
     32       1.3681      0.00000
     33      -0.9304      0.00000
     34       0.7545      0.00000
     35      -2.4661      0.00000
     36      -0.3517      0.00000
     37      -1.1338      0.00000
     38       3.1549      0.00000
     39       2.9867      0.00000
     40      -4.3873      0.00000

 k-point  20 :       0.2727    0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0326      0.00000
      2      -0.0141      0.00000
      3      -0.0802      0.00000
      4      -0.4467      0.00000
      5      -0.1069      0.00000
      6       0.5521      0.00000
      7      -0.5961      0.00000
      8       0.1376      0.00000
      9       0.1604      0.00000
     10       0.0148      0.00000
     11      -0.0792      0.00000
     12       0.0930      0.00000
     13       0.5539      0.00000
     14       0.4365      0.00000
     15      -0.3257      0.00000
     16       0.4667      0.00000
     17      -0.0458      0.00000
     18      -0.4147      0.00000
     19       0.4080      0.00000
     20       0.2157      0.00000
     21      -1.9268      0.00000
     22       1.1722      0.00000
     23      -1.0304      0.00000
     24      -1.5683      0.00000
     25       0.1482      0.00000
     26       1.7712      0.00000
     27       2.3116      0.00000
     28      -0.8849      0.00000
     29      -0.9980      0.00000
     30       0.9915      0.00000
     31      -0.1616      0.00000
     32      -0.9034      0.00000
     33       0.8644      0.00000
     34      -0.4691      0.00000
     35      -3.1338      0.00000
     36      -0.1945      0.00000
     37       3.9205      0.00000
     38       1.3493      0.00000
     39       0.8733      0.00000
     40      -2.3589      0.00000

 k-point  21 :       0.3636    0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0436      0.00000
      2       0.0101      0.00000
      3      -0.0131      0.00000
      4      -0.3954      0.00000
      5       0.0676      0.00000
      6       0.3312      0.00000
      7      -0.5291      0.00000
      8       0.6075      0.00000
      9       0.1723      0.00000
     10       0.0194      0.00000
     11      -0.0957      0.00000
     12      -0.1027      0.00000
     13       0.1319      0.00000
     14       0.0735      0.00000
     15      -0.0484      0.00000
     16       0.3004      0.00000
     17       0.1603      0.00000
     18      -0.6841      0.00000
     19       0.6709      0.00000
     20      -0.0545      0.00000
     21      -1.4442      0.00000
     22       0.9319      0.00000
     23      -1.0341      0.00000
     24      -1.3410      0.00000
     25       1.3249      0.00000
     26       1.1072      0.00000
     27       0.9996      0.00000
     28       0.1629      0.00000
     29      -1.1250      0.00000
     30       0.8842      0.00000
     31      -0.5618      0.00000
     32      -0.9761      0.00000
     33      -1.8594      0.00000
     34       2.4374      0.00000
     35       0.0790      0.00000
     36       1.7684      0.00000
     37      -2.1072      0.00000
     38       0.2332      0.00000
     39      -0.2954      0.00000
     40      -0.1144      0.00000

 k-point  22 :       0.4545    0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0488      0.00000
      2       0.0260      0.00000
      3       0.0597      0.00000
      4      -0.3561      0.00000
      5       0.1699      0.00000
      6       0.2327      0.00000
      7       0.9560      0.00000
      8      -0.4796      0.00000
      9       0.3160      0.00000
     10       0.0001      0.00000
     11      -0.0626      0.00000
     12      -0.0529      0.00000
     13      -0.3380      0.00000
     14      -0.7982      0.00000
     15       0.4978      0.00000
     16       0.1879      0.00000
     17       0.3676      0.00000
     18      -0.8533      0.00000
     19       0.6892      0.00000
     20      -0.6517      0.00000
     21       0.9282      0.00000
     22      -0.3415      0.00000
     23      -1.3665      0.00000
     24      -1.2872      0.00000
     25       1.9670      0.00000
     26       0.7016      0.00000
     27       0.0099      0.00000
     28       0.8669      0.00000
     29       0.9702      0.00000
     30      -1.4244      0.00000
     31      -0.4133      0.00000
     32      -0.7379      0.00000
     33      -2.0707      0.00000
     34       1.4210      0.00000
     35       0.4885      0.00000
     36       1.2675      0.00000
     37      -2.7970      0.00000
     38       2.4237      0.00000
     39      -0.3969      0.00000
     40      -1.6614      0.00000

 k-point  23 :       0.0909    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0169      0.00000
      2      -0.0455      0.00000
      3      -0.1782      0.00000
      4      -0.1156      0.00000
      5      -0.4317      0.00000
      6       0.5958      0.00000
      7      -0.6099      0.00000
      8      -0.0028      0.00000
      9       0.0367      0.00000
     10       0.0068      0.00000
     11      -0.0261      0.00000
     12       0.1307      0.00000
     13       0.5298      0.00000
     14       0.6051      0.00000
     15       0.1301      0.00000
     16       0.4518      0.00000
     17      -0.1320      0.00000
     18      -0.0701      0.00000
     19       0.0656      0.00000
     20      -0.2378      0.00000
     21      -0.5610      0.00000
     22       0.0344      0.00000
     23      -0.2580      0.00000
     24      -1.0348      0.00000
     25       0.4001      0.00000
     26       0.0897      0.00000
     27       0.9774      0.00000
     28       0.0747      0.00000
     29       0.4320      0.00000
     30      -0.4503      0.00000
     31       0.3424      0.00000
     32       0.1581      0.00000
     33       0.4348      0.00000
     34      -0.8078      0.00000
     35      -0.1469      0.00000
     36      -0.2596      0.00000
     37      -0.5746      0.00000
     38      -0.6292      0.00000
     39      -0.9833      0.00000
     40       1.0115      0.00000

 k-point  24 :       0.1818    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0280      0.00000
      2      -0.0232      0.00000
      3      -0.1234      0.00000
      4      -0.3362      0.00000
      5       0.0387      0.00000
      6       0.1774      0.00000
      7      -0.4486      0.00000
      8       0.0246      0.00000
      9       0.1116      0.00000
     10      -0.0184      0.00000
     11      -0.0510      0.00000
     12       0.1793      0.00000
     13       0.6022      0.00000
     14       0.5032      0.00000
     15      -0.0772      0.00000
     16       0.3016      0.00000
     17      -0.3171      0.00000
     18      -0.0835      0.00000
     19       0.2231      0.00000
     20       0.0175      0.00000
     21      -1.0658      0.00000
     22       0.6273      0.00000
     23      -0.8188      0.00000
     24      -0.7755      0.00000
     25       0.4614      0.00000
     26       0.4501      0.00000
     27       1.3904      0.00000
     28      -0.0716      0.00000
     29      -0.8978      0.00000
     30      -0.1560      0.00000
     31       1.3625      0.00000
     32       1.1409      0.00000
     33      -1.2760      0.00000
     34      -1.5610      0.00000
     35      -1.1795      0.00000
     36       0.1905      0.00000
     37       1.3837      0.00000
     38       0.9706      0.00000
     39       0.6048      0.00000
     40      -1.0109      0.00000

 k-point  25 :       0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0397      0.00000
      2       0.0016      0.00000
      3      -0.0392      0.00000
      4      -0.3629      0.00000
      5       0.0938      0.00000
      6       0.2158      0.00000
      7      -0.3749      0.00000
      8       0.1862      0.00000
      9       0.1672      0.00000
     10      -0.0245      0.00000
     11      -0.0703      0.00000
     12       0.0539      0.00000
     13       0.4490      0.00000
     14       0.2734      0.00000
     15      -0.1821      0.00000
     16       0.2399      0.00000
     17      -0.4810      0.00000
     18      -0.0562      0.00000
     19       0.4680      0.00000
     20       0.2073      0.00000
     21      -1.9716      0.00000
     22       1.4230      0.00000
     23      -0.8569      0.00000
     24      -0.6522      0.00000
     25       0.4391      0.00000
     26       0.5954      0.00000
     27       1.2600      0.00000
     28       0.3964      0.00000
     29      -1.1504      0.00000
     30       0.3933      0.00000
     31       0.1881      0.00000
     32       0.2559      0.00000
     33      -1.6561      0.00000
     34      -1.5323      0.00000
     35       2.4881      0.00000
     36       0.9625      0.00000
     37      -0.7842      0.00000
     38      -0.4575      0.00000
     39      -0.0315      0.00000
     40      -0.6421      0.00000

 k-point  26 :       0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0475      0.00000
      2       0.0217      0.00000
      3       0.0731      0.00000
      4      -0.3571      0.00000
      5       0.1508      0.00000
      6       0.2673      0.00000
      7       0.6604      0.00000
      8      -0.4165      0.00000
      9       0.2584      0.00000
     10      -0.0467      0.00000
     11      -0.0556      0.00000
     12      -0.0952      0.00000
     13      -0.1304      0.00000
     14      -0.3771      0.00000
     15       0.2729      0.00000
     16       0.2092      0.00000
     17      -0.0863      0.00000
     18      -0.4879      0.00000
     19       0.7684      0.00000
     20      -0.8759      0.00000
     21       0.8704      0.00000
     22      -0.1209      0.00000
     23      -1.1460      0.00000
     24      -0.4054      0.00000
     25       0.1978      0.00000
     26       0.7399      0.00000
     27       0.7722      0.00000
     28       1.1276      0.00000
     29      -0.9851      0.00000
     30       0.1883      0.00000
     31      -0.5690      0.00000
     32      -0.4285      0.00000
     33      -0.9577      0.00000
     34       1.0281      0.00000
     35       0.2089      0.00000
     36       0.9949      0.00000
     37      -1.4945      0.00000
     38       0.1629      0.00000
     39      -0.6195      0.00000
     40       1.1963      0.00000

 k-point  27 :       0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0491      0.00000
      2       0.0305      0.00000
      3       0.0654      0.00000
      4      -0.2240      0.00000
      5       0.2190      0.00000
      6       0.0457      0.00000
      7       1.0068      0.00000
      8      -0.4197      0.00000
      9       0.1811      0.00000
     10      -0.0613      0.00000
     11       0.0056      0.00000
     12      -0.0658      0.00000
     13       0.0997      0.00000
     14      -1.1536      0.00000
     15       0.3624      0.00000
     16       0.2536      0.00000
     17       0.1208      0.00000
     18      -0.6585      0.00000
     19       0.1461      0.00000
     20       0.2575      0.00000
     21       0.6548      0.00000
     22      -0.0235      0.00000
     23      -1.3637      0.00000
     24      -0.0869      0.00000
     25       0.0127      0.00000
     26       0.4642      0.00000
     27       0.4807      0.00000
     28       0.9272      0.00000
     29      -0.2304      0.00000
     30      -0.3296      0.00000
     31      -0.0684      0.00000
     32      -0.0117      0.00000
     33      -0.6573      0.00000
     34      -0.2896      0.00000
     35      -0.1966      0.00000
     36       0.1689      0.00000
     37       0.0705      0.00000
     38       0.8297      0.00000
     39       0.0712      0.00000
     40       0.1461      0.00000

 k-point  28 :       0.1818    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0378      0.00000
      2      -0.0012      0.00000
      3      -0.1798      0.00000
      4       0.0131      0.00000
      5       0.4057      0.00000
      6      -0.3552      0.00000
      7      -0.3077      0.00000
      8      -0.0365      0.00000
      9       0.0778      0.00000
     10      -0.0743      0.00000
     11      -0.0201      0.00000
     12       0.2292      0.00000
     13       0.6523      0.00000
     14       0.0459      0.00000
     15       0.3028      0.00000
     16      -0.0640      0.00000
     17      -0.6258      0.00000
     18       0.0890      0.00000
     19       0.1238      0.00000
     20       0.1271      0.00000
     21      -0.2725      0.00000
     22       0.2243      0.00000
     23      -0.3376      0.00000
     24      -0.8440      0.00000
     25       0.6490      0.00000
     26       0.0050      0.00000
     27      -0.3593      0.00000
     28       1.0776      0.00000
     29       0.4675      0.00000
     30      -0.1697      0.00000
     31      -0.1162      0.00000
     32       0.2936      0.00000
     33      -0.5034      0.00000
     34      -0.7439      0.00000
     35      -0.1543      0.00000
     36      -0.4116      0.00000
     37      -0.1570      0.00000
     38       0.6315      0.00000
     39       0.0346      0.00000
     40      -0.0048      0.00000

 k-point  29 :       0.2727    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0460      0.00000
      2       0.0194      0.00000
      3       0.1181      0.00000
      4      -0.1608      0.00000
      5       0.1038      0.00000
      6       0.2505      0.00000
      7      -0.0218      0.00000
      8      -0.2640      0.00000
      9       0.1949      0.00000
     10       0.0051      0.00000
     11      -0.0384      0.00000
     12      -0.0315      0.00000
     13       0.2781      0.00000
     14      -0.0610      0.00000
     15      -0.0482      0.00000
     16       0.1708      0.00000
     17      -0.8765      0.00000
     18       0.2000      0.00000
     19       0.4314      0.00000
     20      -0.1066      0.00000
     21      -1.1376      0.00000
     22       1.7921      0.00000
     23      -0.4326      0.00000
     24      -1.0379      0.00000
     25       0.3048      0.00000
     26      -0.0645      0.00000
     27       0.2307      0.00000
     28       1.3687      0.00000
     29      -0.6750      0.00000
     30      -0.8659      0.00000
     31       1.8374      0.00000
     32      -0.5045      0.00000
     33      -1.1220      0.00000
     34      -0.0453      0.00000
     35       0.2386      0.00000
     36      -0.4350      0.00000
     37       1.1343      0.00000
     38      -0.8752      0.00000
     39      -0.3618      0.00000
     40       0.8769      0.00000

 k-point  30 :       0.3636    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0492      0.00000
      2       0.0331      0.00000
      3       0.2179      0.00000
      4      -0.0701      0.00000
      5       0.0997      0.00000
      6       0.2548      0.00000
      7       0.5195      0.00000
      8      -0.3708      0.00000
      9       0.3418      0.00000
     10      -0.1394      0.00000
     11      -0.0451      0.00000
     12      -0.0490      0.00000
     13      -0.1666      0.00000
     14      -0.6144      0.00000
     15       0.0379      0.00000
     16       0.3733      0.00000
     17      -0.7950      0.00000
     18       0.0533      0.00000
     19       0.7739      0.00000
     20      -2.0025      0.00000
     21       3.0067      0.00000
     22      -0.1799      0.00000
     23      -1.0836      0.00000
     24      -0.3106      0.00000
     25      -0.2589      0.00000
     26      -0.0339      0.00000
     27       0.4495      0.00000
     28       1.5701      0.00000
     29      -1.0098      0.00000
     30      -1.1248      0.00000
     31       1.5843      0.00000
     32      -0.5627      0.00000
     33      -0.5962      0.00000
     34       0.4362      0.00000
     35      -0.4193      0.00000
     36       0.3699      0.00000
     37       0.1314      0.00000
     38      -0.0580      0.00000
     39      -0.0459      0.00000
     40       0.0286      0.00000

 k-point  31 :       0.2727    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0488      0.00000
      2       0.0344      0.00000
      3       0.3114      0.00000
      4       0.0917      0.00000
      5       0.2637      0.00000
      6       0.0806      0.00000
      7      -0.0296      0.00000
      8      -0.2713      0.00000
      9       0.1636      0.00000
     10       0.1012      0.00000
     11      -0.0773      0.00000
     12       0.0700      0.00000
     13      -0.0381      0.00000
     14      -0.1540      0.00000
     15      -0.4222      0.00000
     16       0.3006      0.00000
     17      -1.1308      0.00000
     18       0.3402      0.00000
     19       0.1315      0.00000
     20       0.9243      0.00000
     21       0.2526      0.00000
     22       0.3768      0.00000
     23      -0.3025      0.00000
     24      -0.7299      0.00000
     25      -0.5086      0.00000
     26      -0.0912      0.00000
     27       0.0280      0.00000
     28       0.7929      0.00000
     29       0.1124      0.00000
     30       0.4978      0.00000
     31      -0.4046      0.00000
     32       0.3072      0.00000
     33      -0.4809      0.00000
     34      -0.0748      0.00000
     35      -0.4109      0.00000
     36      -0.7922      0.00000
     37      -0.0648      0.00000
     38       0.6937      0.00000
     39       0.8180      0.00000
     40      -0.1577      0.00000

 k-point  32 :       0.3636    0.2727    0.1667
  band No.  band energies     occupation 
      1       0.0479      0.00000
      2       0.0417      0.00000
      3       0.3713      0.00000
      4       0.2366      0.00000
      5       0.2783      0.00000
      6      -0.2747      0.00000
      7       0.5199      0.00000
      8      -0.1726      0.00000
      9       0.1468      0.00000
     10       0.0278      0.00000
     11      -0.2029      0.00000
     12       0.0244      0.00000
     13      -0.1771      0.00000
     14      -0.5287      0.00000
     15      -0.1388      0.00000
     16       0.4288      0.00000
     17      -1.2923      0.00000
     18       0.2661      0.00000
     19       0.1066      0.00000
     20       0.2033      0.00000
     21       1.5271      0.00000
     22       0.2841      0.00000
     23      -0.7971      0.00000
     24      -0.5578      0.00000
     25      -0.5309      0.00000
     26      -0.1033      0.00000
     27       0.0509      0.00000
     28       0.5984      0.00000
     29       0.3201      0.00000
     30       0.4506      0.00000
     31      -0.3713      0.00000
     32       0.2467      0.00000
     33      -0.2262      0.00000
     34      -0.2032      0.00000
     35      -0.5742      0.00000
     36      -0.1553      0.00000
     37      -0.4942      0.00000
     38      -0.0657      0.00000
     39       0.5198      0.00000
     40       0.8932      0.00000

 k-point  33 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0075      0.00000
      2      -0.0493      0.00000
      3       0.7931      0.00000
      4       0.9025      0.00000
      5      -0.4767      0.00000
      6      -0.4767      0.00000
      7      -0.6568      0.00000
      8      -0.6568      0.00000
      9       0.0161      0.00000
     10       0.0161      0.00000
     11      -0.0215      0.00000
     12      -0.0215      0.00000
     13       0.2374      0.00000
     14      -0.1752      0.00000
     15       0.6596      0.00000
     16       0.6596      0.00000
     17       0.2935      0.00000
     18       0.2935      0.00000
     19       0.0262      0.00000
     20      -0.1220      0.00000
     21      -0.7651      0.00000
     22      -0.7716      0.00000
     23      -0.1461      0.00000
     24      -0.1461      0.00000
     25      -0.2601      0.00000
     26      -0.2601      0.00000
     27       0.1523      0.00000
     28       0.0795      0.00000
     29       0.9911      0.00000
     30       0.9911      0.00000
     31       0.7714      0.00000
     32       0.7714      0.00000
     33      -1.4071      0.00000
     34      -0.4011      0.00000
     35      -0.4011      0.00000
     36      -0.8893      0.00000
     37      -0.6549      0.00000
     38      -0.6549      0.00000
     39      -0.3849      0.00000
     40       1.2471      0.00000

 k-point  34 :       0.0909    0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0032      0.00000
      2      -0.0431      0.00000
      3       0.8476      0.00000
      4       0.0098      0.00000
      5      -0.4580      0.00000
      6       0.1314      0.00000
      7      -0.4818      0.00000
      8      -0.6195      0.00000
      9       0.0138      0.00000
     10       0.0410      0.00000
     11      -0.0522      0.00000
     12       0.0180      0.00000
     13       0.2624      0.00000
     14      -0.0814      0.00000
     15       0.5060      0.00000
     16       0.6120      0.00000
     17       0.2661      0.00000
     18       0.2148      0.00000
     19       0.0613      0.00000
     20      -0.1056      0.00000
     21      -0.8070      0.00000
     22      -0.3279      0.00000
     23      -0.4552      0.00000
     24      -0.5898      0.00000
     25      -0.6446      0.00000
     26       0.6472      0.00000
     27       1.6118      0.00000
     28       0.0939      0.00000
     29       0.2007      0.00000
     30       0.1337      0.00000
     31      -0.8711      0.00000
     32       1.6478      0.00000
     33      -0.6865      0.00000
     34       0.9905      0.00000
     35      -2.1207      0.00000
     36      -0.1241      0.00000
     37      -2.0041      0.00000
     38       1.3768      0.00000
     39      -1.4696      0.00000
     40       1.4059      0.00000

 k-point  35 :       0.1818    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0083      0.00000
      2      -0.0264      0.00000
      3       0.2888      0.00000
      4      -0.1976      0.00000
      5      -0.3658      0.00000
      6       0.5238      0.00000
      7      -0.2299      0.00000
      8      -0.5490      0.00000
      9       0.0994      0.00000
     10       0.0538      0.00000
     11      -0.0797      0.00000
     12       0.0264      0.00000
     13       0.2973      0.00000
     14       0.2463      0.00000
     15       0.0742      0.00000
     16       0.4671      0.00000
     17       0.1740      0.00000
     18       0.0153      0.00000
     19       0.2186      0.00000
     20      -0.0834      0.00000
     21      -1.1861      0.00000
     22       1.4556      0.00000
     23      -3.3405      0.00000
     24       0.5036      0.00000
     25      -0.7429      0.00000
     26       1.5425      0.00000
     27       2.5249      0.00000
     28      -0.8391      0.00000
     29      -0.1800      0.00000
     30       0.4187      0.00000
     31       1.2106      0.00000
     32      -1.6745      0.00000
     33      -1.5098      0.00000
     34       2.3530      0.00000
     35      -3.0365      0.00000
     36       0.0677      0.00000
     37       2.9278      0.00000
     38      -1.0906      0.00000
     39      -1.0763      0.00000
     40      -0.1635      0.00000

 k-point  36 :       0.2727    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0236      0.00000
      2      -0.0044      0.00000
      3       0.1361      0.00000
      4      -0.2945      0.00000
      5      -0.2088      0.00000
      6       0.4689      0.00000
      7       0.0121      0.00000
      8      -0.4581      0.00000
      9       0.2435      0.00000
     10       0.0634      0.00000
     11      -0.1121      0.00000
     12      -0.0282      0.00000
     13       0.1828      0.00000
     14       0.2136      0.00000
     15       0.0563      0.00000
     16       0.2669      0.00000
     17       0.1055      0.00000
     18      -0.2471      0.00000
     19       0.5372      0.00000
     20      -0.1614      0.00000
     21      -2.0506      0.00000
     22       2.1018      0.00000
     23      -2.5324      0.00000
     24      -0.5187      0.00000
     25      -0.4492      0.00000
     26       2.0912      0.00000
     27       2.2624      0.00000
     28      -0.3602      0.00000
     29      -0.4374      0.00000
     30       0.4622      0.00000
     31      -0.8783      0.00000
     32      -0.0123      0.00000
     33       0.2258      0.00000
     34      -0.8804      0.00000
     35      -3.1692      0.00000
     36       3.5129      0.00000
     37       1.6022      0.00000
     38       0.5840      0.00000
     39      -2.2608      0.00000
     40      -3.1618      0.00000

 k-point  37 :       0.3636    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0374      0.00000
      2       0.0165      0.00000
      3       0.1321      0.00000
      4      -0.2587      0.00000
      5      -0.0406      0.00000
      6       0.3331      0.00000
      7       0.2852      0.00000
      8      -0.3622      0.00000
      9       0.3839      0.00000
     10       0.0898      0.00000
     11      -0.1505      0.00000
     12      -0.1810      0.00000
     13      -0.1141      0.00000
     14      -0.1870      0.00000
     15       0.3851      0.00000
     16       0.0653      0.00000
     17      -0.4991      0.00000
     18       0.1658      0.00000
     19       1.0246      0.00000
     20      -0.7011      0.00000
     21      -1.1242      0.00000
     22       1.1425      0.00000
     23      -1.6887      0.00000
     24      -1.1959      0.00000
     25       0.6837      0.00000
     26       1.5697      0.00000
     27       1.4367      0.00000
     28       0.5255      0.00000
     29      -0.6307      0.00000
     30      -0.7728      0.00000
     31       0.1886      0.00000
     32      -1.2229      0.00000
     33       0.0060      0.00000
     34       1.2040      0.00000
     35      -1.5595      0.00000
     36       2.0055      0.00000
     37      -2.3604      0.00000
     38       0.2741      0.00000
     39      -0.6138      0.00000
     40      -0.0268      0.00000

 k-point  38 :       0.4545    0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0444      0.00000
      2       0.0303      0.00000
      3       0.1459      0.00000
      4      -0.1650      0.00000
      5       0.0654      0.00000
      6       0.3959      0.00000
      7       0.4497      0.00000
      8      -0.2954      0.00000
      9       0.0606      0.00000
     10       0.3688      0.00000
     11      -0.1115      0.00000
     12      -0.1819      0.00000
     13      -0.4609      0.00000
     14      -0.4252      0.00000
     15       0.4679      0.00000
     16      -0.0718      0.00000
     17      -0.6581      0.00000
     18       0.2981      0.00000
     19       0.9930      0.00000
     20      -0.8121      0.00000
     21       1.2474      0.00000
     22      -0.7675      0.00000
     23      -1.4656      0.00000
     24      -1.5821      0.00000
     25       1.5169      0.00000
     26       1.0398      0.00000
     27       0.7398      0.00000
     28       0.8620      0.00000
     29      -0.2145      0.00000
     30      -1.0323      0.00000
     31      -0.0169      0.00000
     32      -1.4342      0.00000
     33      -0.1399      0.00000
     34       0.8521      0.00000
     35      -0.4621      0.00000
     36       0.9229      0.00000
     37      -1.7106      0.00000
     38       1.3257      0.00000
     39      -0.2802      0.00000
     40       1.2513      0.00000

 k-point  39 :       0.0909    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0045      0.00000
      2      -0.0315      0.00000
      3       0.1434      0.00000
      4       0.2197      0.00000
      5      -0.3495      0.00000
      6       0.0957      0.00000
      7      -0.1641      0.00000
      8      -0.5008      0.00000
      9       0.0443      0.00000
     10      -0.0005      0.00000
     11      -0.0195      0.00000
     12       0.0533      0.00000
     13       0.3147      0.00000
     14      -0.0420      0.00000
     15       0.5076      0.00000
     16       0.4593      0.00000
     17       0.1589      0.00000
     18       0.0791      0.00000
     19       0.0313      0.00000
     20      -0.0727      0.00000
     21      -0.6678      0.00000
     22       0.0731      0.00000
     23      -1.1655      0.00000
     24      -0.3727      0.00000
     25       0.2746      0.00000
     26       0.1312      0.00000
     27       1.1731      0.00000
     28       0.3706      0.00000
     29       0.6629      0.00000
     30      -0.1400      0.00000
     31      -0.0206      0.00000
     32      -0.1193      0.00000
     33      -0.6081      0.00000
     34       0.1051      0.00000
     35      -0.2468      0.00000
     36      -0.2320      0.00000
     37      -0.6607      0.00000
     38      -0.7963      0.00000
     39      -0.3516      0.00000
     40       0.4151      0.00000

 k-point  40 :       0.1818    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0178      0.00000
      2      -0.0121      0.00000
      3       0.1398      0.00000
      4      -0.1841      0.00000
      5       0.0366      0.00000
      6      -0.0877      0.00000
      7       0.0144      0.00000
      8      -0.3626      0.00000
      9       0.1466      0.00000
     10       0.0101      0.00000
     11      -0.0661      0.00000
     12       0.0610      0.00000
     13       0.3098      0.00000
     14       0.1795      0.00000
     15       0.1276      0.00000
     16       0.2792      0.00000
     17       0.0320      0.00000
     18      -0.0605      0.00000
     19       0.2416      0.00000
     20      -0.0658      0.00000
     21      -1.1568      0.00000
     22       1.2859      0.00000
     23      -2.8826      0.00000
     24       0.6257      0.00000
     25      -0.1693      0.00000
     26       1.1291      0.00000
     27       1.5385      0.00000
     28       0.1497      0.00000
     29      -0.5170      0.00000
     30       0.5812      0.00000
     31      -0.0789      0.00000
     32      -0.1783      0.00000
     33      -0.7801      0.00000
     34      -0.7584      0.00000
     35      -1.3356      0.00000
     36       1.7954      0.00000
     37       0.9313      0.00000
     38      -0.4192      0.00000
     39      -0.7492      0.00000
     40      -1.0689      0.00000

 k-point  41 :       0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0323      0.00000
      2       0.0093      0.00000
      3       0.1463      0.00000
      4      -0.2546      0.00000
      5      -0.0093      0.00000
      6       0.1632      0.00000
      7       0.0629      0.00000
      8      -0.2426      0.00000
      9       0.2898      0.00000
     10       0.0251      0.00000
     11      -0.1034      0.00000
     12      -0.0360      0.00000
     13       0.0861      0.00000
     14      -0.0225      0.00000
     15       0.2237      0.00000
     16       0.1017      0.00000
     17      -0.3967      0.00000
     18       0.1314      0.00000
     19       0.6643      0.00000
     20      -0.3401      0.00000
     21      -1.8604      0.00000
     22       1.9860      0.00000
     23      -1.7329      0.00000
     24      -0.1104      0.00000
     25      -0.5753      0.00000
     26       1.6420      0.00000
     27       1.2514      0.00000
     28       0.6116      0.00000
     29      -0.8242      0.00000
     30      -1.1432      0.00000
     31       2.6166      0.00000
     32      -1.9583      0.00000
     33      -0.4780      0.00000
     34      -1.5479      0.00000
     35       0.4789      0.00000
     36       0.7932      0.00000
     37       1.0135      0.00000
     38      -0.2595      0.00000
     39      -1.2135      0.00000
     40      -1.4464      0.00000

 k-point  42 :       0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0427      0.00000
      2       0.0265      0.00000
      3       0.1934      0.00000
      4      -0.1986      0.00000
      5       0.0621      0.00000
      6       0.4460      0.00000
      7      -0.0196      0.00000
      8      -0.1118      0.00000
      9       0.4169      0.00000
     10      -0.1044      0.00000
     11      -0.0100      0.00000
     12      -0.1590      0.00000
     13      -0.2528      0.00000
     14      -0.3272      0.00000
     15       0.1681      0.00000
     16       0.1705      0.00000
     17      -0.5720      0.00000
     18       0.1956      0.00000
     19       1.1927      0.00000
     20      -1.1683      0.00000
     21       1.3182      0.00000
     22      -0.7198      0.00000
     23      -1.1147      0.00000
     24      -0.4447      0.00000
     25      -0.8193      0.00000
     26       1.7458      0.00000
     27       0.9162      0.00000
     28       0.9117      0.00000
     29      -0.6670      0.00000
     30      -1.1547      0.00000
     31       0.7551      0.00000
     32      -0.7849      0.00000
     33      -0.2819      0.00000
     34      -0.1160      0.00000
     35       0.7138      0.00000
     36       0.0498      0.00000
     37      -1.9339      0.00000
     38       0.6900      0.00000
     39       0.3946      0.00000
     40       0.8748      0.00000

 k-point  43 :       0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0451      0.00000
      2       0.0344      0.00000
      3       0.1060      0.00000
      4      -0.0034      0.00000
      5       0.1807      0.00000
      6       0.1366      0.00000
      7       0.5680      0.00000
      8      -0.2856      0.00000
      9       0.6073      0.00000
     10      -0.5338      0.00000
     11      -0.0106      0.00000
     12      -0.0434      0.00000
     13      -0.0426      0.00000
     14      -0.7423      0.00000
     15      -0.0262      0.00000
     16       0.3083      0.00000
     17      -0.6550      0.00000
     18       0.2696      0.00000
     19       0.1720      0.00000
     20       0.2247      0.00000
     21       0.4471      0.00000
     22       0.1087      0.00000
     23      -1.1762      0.00000
     24      -0.5436      0.00000
     25       0.0586      0.00000
     26       0.4781      0.00000
     27       0.9216      0.00000
     28       0.8145      0.00000
     29      -0.6054      0.00000
     30      -0.1261      0.00000
     31      -0.0496      0.00000
     32      -0.2962      0.00000
     33      -0.4622      0.00000
     34      -0.2997      0.00000
     35      -0.2345      0.00000
     36      -0.1010      0.00000
     37       0.9590      0.00000
     38       0.8896      0.00000
     39       0.4344      0.00000
     40      -0.0421      0.00000

 k-point  44 :       0.1818    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0298      0.00000
      2       0.0072      0.00000
      3       0.0118      0.00000
      4       0.0371      0.00000
      5       0.0896      0.00000
      6      -0.2012      0.00000
      7       0.0182      0.00000
      8      -0.1854      0.00000
      9       0.1411      0.00000
     10      -0.0688      0.00000
     11      -0.0341      0.00000
     12       0.1490      0.00000
     13       0.3062      0.00000
     14      -0.0800      0.00000
     15       0.3108      0.00000
     16      -0.0396      0.00000
     17      -0.4101      0.00000
     18       0.2036      0.00000
     19       0.0762      0.00000
     20       0.0483      0.00000
     21      -0.0976      0.00000
     22       0.3428      0.00000
     23      -0.4389      0.00000
     24      -0.9543      0.00000
     25       0.3250      0.00000
     26       0.0031      0.00000
     27       0.0914      0.00000
     28       1.3082      0.00000
     29       0.4423      0.00000
     30      -0.2964      0.00000
     31      -0.3712      0.00000
     32       0.0422      0.00000
     33      -0.3871      0.00000
     34      -0.0886      0.00000
     35      -1.0450      0.00000
     36      -0.1930      0.00000
     37      -0.2066      0.00000
     38      -0.1539      0.00000
     39       0.5470      0.00000
     40       0.6946      0.00000

 k-point  45 :       0.2727    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0407      0.00000
      2       0.0247      0.00000
      3       0.2665      0.00000
      4      -0.1268      0.00000
      5       0.0424      0.00000
      6       0.3066      0.00000
      7      -0.2344      0.00000
      8      -0.0872      0.00000
      9       0.2930      0.00000
     10      -0.0343      0.00000
     11      -0.0467      0.00000
     12      -0.0208      0.00000
     13       0.0328      0.00000
     14      -0.2072      0.00000
     15      -0.1549      0.00000
     16       0.1454      0.00000
     17      -0.5140      0.00000
     18       0.2518      0.00000
     19       0.6286      0.00000
     20      -0.5435      0.00000
     21      -0.8101      0.00000
     22       1.6171      0.00000
     23      -0.3564      0.00000
     24      -0.6654      0.00000
     25      -0.3248      0.00000
     26      -0.0985      0.00000
     27       0.6336      0.00000
     28       1.4410      0.00000
     29      -1.0676      0.00000
     30       0.2592      0.00000
     31       0.1792      0.00000
     32      -0.1672      0.00000
     33       0.4936      0.00000
     34      -1.0189      0.00000
     35      -0.4692      0.00000
     36      -0.1643      0.00000
     37      -0.5051      0.00000
     38       0.4488      0.00000
     39       0.3786      0.00000
     40       0.6509      0.00000

 k-point  46 :       0.3636    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0461      0.00000
      2       0.0361      0.00000
      3       0.2813      0.00000
      4       0.0068      0.00000
      5       0.2733      0.00000
      6       0.2673      0.00000
      7       0.0803      0.00000
      8      -0.2850      0.00000
      9       0.3802      0.00000
     10      -0.1682      0.00000
     11      -0.0175      0.00000
     12      -0.0451      0.00000
     13      -0.2042      0.00000
     14      -0.4199      0.00000
     15      -0.2199      0.00000
     16      -0.6512      0.00000
     17       0.1579      0.00000
     18       0.3031      0.00000
     19       1.1751      0.00000
     20      -1.6938      0.00000
     21       2.3440      0.00000
     22      -0.5674      0.00000
     23      -0.6289      0.00000
     24      -0.3347      0.00000
     25      -0.4515      0.00000
     26      -0.2257      0.00000
     27       0.6915      0.00000
     28       1.1300      0.00000
     29      -0.6774      0.00000
     30       0.0423      0.00000
     31      -0.0258      0.00000
     32       0.0545      0.00000
     33      -0.2285      0.00000
     34      -0.3706      0.00000
     35      -0.0319      0.00000
     36      -0.6086      0.00000
     37       0.8495      0.00000
     38       0.4403      0.00000
     39      -0.0213      0.00000
     40       0.0058      0.00000

 k-point  47 :       0.2727    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0456      0.00000
      2       0.0373      0.00000
      3       0.2599      0.00000
      4       0.2694      0.00000
      5       0.3784      0.00000
      6      -0.0385      0.00000
      7      -0.3637      0.00000
      8       0.0252      0.00000
      9       0.1769      0.00000
     10       0.0595      0.00000
     11      -0.0498      0.00000
     12      -0.0022      0.00000
     13      -0.0063      0.00000
     14      -0.3030      0.00000
     15      -0.4059      0.00000
     16      -0.8837      0.00000
     17       0.2560      0.00000
     18       0.3395      0.00000
     19       0.0753      0.00000
     20       0.4321      0.00000
     21       0.4582      0.00000
     22       0.1775      0.00000
     23       0.0611      0.00000
     24      -0.4802      0.00000
     25      -0.5523      0.00000
     26      -0.6146      0.00000
     27       0.0173      0.00000
     28       1.0969      0.00000
     29       0.0302      0.00000
     30       0.5062      0.00000
     31      -0.3269      0.00000
     32       0.1481      0.00000
     33      -0.1603      0.00000
     34      -0.3320      0.00000
     35      -0.2022      0.00000
     36      -0.2705      0.00000
     37       0.1515      0.00000
     38       0.4123      0.00000
     39       0.1725      0.00000
     40       0.0439      0.00000

 k-point  48 :       0.3636    0.2727    0.3333
  band No.  band energies     occupation 
      1       0.0465      0.00000
      2       0.0429      0.00000
      3       0.3190      0.00000
      4       0.3800      0.00000
      5       0.3826      0.00000
      6      -0.0086      0.00000
      7       0.0018      0.00000
      8      -0.2643      0.00000
      9       0.0664      0.00000
     10       0.0409      0.00000
     11      -0.0090      0.00000
     12       0.0306      0.00000
     13      -0.1132      0.00000
     14      -0.3260      0.00000
     15      -0.4672      0.00000
     16      -1.1656      0.00000
     17       0.3951      0.00000
     18       0.3696      0.00000
     19       0.0885      0.00000
     20       0.1969      0.00000
     21       1.0032      0.00000
     22       0.2541      0.00000
     23      -0.3711      0.00000
     24      -0.2631      0.00000
     25      -0.3676      0.00000
     26      -0.5400      0.00000
     27      -0.2993      0.00000
     28       0.4502      0.00000
     29       0.5854      0.00000
     30       0.6072      0.00000
     31      -0.3845      0.00000
     32       0.0413      0.00000
     33      -0.1730      0.00000
     34      -0.2525      0.00000
     35      -0.0015      0.00000
     36       0.2178      0.00000
     37       0.0614      0.00000
     38      -0.1159      0.00000
     39       0.3056      0.00000
     40      -0.0943      0.00000

 k-point  49 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.5246      0.00000
      2       0.4690      0.00000
      3       0.0426      0.00000
      4       1.6779      0.00000
      5      -0.4787      0.00000
      6      -0.4787      0.00000
      7      -0.6409      0.00000
      8      -0.6409      0.00000
      9       0.8582      0.00000
     10       0.8582      0.00000
     11      -0.8682      0.00000
     12      -0.8682      0.00000
     13      -0.9859      0.00000
     14       1.0101      0.00000
     15      -0.4453      0.00000
     16      -0.4453      0.00000
     17       1.3948      0.00000
     18       1.3948      0.00000
     19      -0.4382      0.00000
     20       0.4589      0.00000
     21      -4.8123      0.00000
     22       3.1304      0.00000
     23      -0.8059      0.00000
     24      -0.8059      0.00000
     25       0.4088      0.00000
     26       0.4088      0.00000
     27      -0.6933      0.00000
     28       1.0024      0.00000
     29      -1.0445      0.00000
     30      -1.0445      0.00000
     31       2.9875      0.00000
     32       2.9875      0.00000
     33      -5.7331      0.00000
     34       2.9118      0.00000
     35      -2.2903      0.00000
     36      -2.2903      0.00000
     37       1.1041      0.00000
     38       1.1041      0.00000
     39      -0.1446      0.00000
     40       1.0501      0.00000

 k-point  50 :       0.0909    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.5042      0.00000
      2       0.4589      0.00000
      3      -0.0639      0.00000
      4       1.1854      0.00000
      5      -0.4286      0.00000
      6      -0.4481      0.00000
      7      -0.6362      0.00000
      8      -0.1247      0.00000
      9       0.8548      0.00000
     10      -0.8660      0.00000
     11       0.8676      0.00000
     12      -0.8452      0.00000
     13      -0.8377      0.00000
     14       0.9162      0.00000
     15      -0.3571      0.00000
     16       1.2212      0.00000
     17      -0.4656      0.00000
     18       1.2846      0.00000
     19      -1.1658      0.00000
     20       1.1813      0.00000
     21      -3.8907      0.00000
     22       2.3613      0.00000
     23      -1.2251      0.00000
     24       0.5868      0.00000
     25      -1.0966      0.00000
     26       0.9636      0.00000
     27      -0.2703      0.00000
     28       1.9341      0.00000
     29      -1.0358      0.00000
     30       2.6359      0.00000
     31      -1.1254      0.00000
     32       1.1743      0.00000
     33      -2.1816      0.00000
     34       0.8764      0.00000
     35      -3.4317      0.00000
     36       2.3759      0.00000
     37      -3.1174      0.00000
     38       1.3341      0.00000
     39       0.0908      0.00000
     40       0.6453      0.00000

 k-point  51 :       0.1818    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.4454      0.00000
      2       0.4281      0.00000
      3      -0.1193      0.00000
      4       0.5146      0.00000
      5      -0.3920      0.00000
      6       0.4228      0.00000
      7      -0.2786      0.00000
      8      -0.6239      0.00000
      9       0.8369      0.00000
     10      -0.8556      0.00000
     11       0.8814      0.00000
     12      -0.7679      0.00000
     13      -0.1509      0.00000
     14       0.3400      0.00000
     15      -0.2868      0.00000
     16       0.9435      0.00000
     17      -0.5383      0.00000
     18       1.0071      0.00000
     19      -2.0328      0.00000
     20       2.0355      0.00000
     21      -1.4213      0.00000
     22       0.6462      0.00000
     23      -3.0719      0.00000
     24       1.5266      0.00000
     25      -1.6255      0.00000
     26       2.1936      0.00000
     27      -0.5817      0.00000
     28       2.6099      0.00000
     29      -0.7761      0.00000
     30       1.5360      0.00000
     31      -1.7591      0.00000
     32       0.8119      0.00000
     33      -2.4829      0.00000
     34       1.9735      0.00000
     35      -4.7670      0.00000
     36       3.9622      0.00000
     37      -2.8903      0.00000
     38       1.6533      0.00000
     39      -1.5505      0.00000
     40       2.5048      0.00000

 k-point  52 :       0.2727    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.3553      0.00000
      2       0.3750      0.00000
      3      -0.0185      0.00000
      4       0.1029      0.00000
      5      -0.3442      0.00000
      6       0.6015      0.00000
      7      -0.0367      0.00000
      8      -0.6137      0.00000
      9       0.7905      0.00000
     10      -0.8272      0.00000
     11      -0.1094      0.00000
     12       0.3253      0.00000
     13      -0.3030      0.00000
     14       0.4041      0.00000
     15      -0.6220      0.00000
     16       1.1732      0.00000
     17      -0.7075      0.00000
     18       0.7068      0.00000
     19      -2.8331      0.00000
     20       2.8650      0.00000
     21      -2.1688      0.00000
     22       2.3204      0.00000
     23      -4.2233      0.00000
     24       1.5939      0.00000
     25      -2.1044      0.00000
     26       3.5360      0.00000
     27      -0.5328      0.00000
     28       2.2867      0.00000
     29      -0.2286      0.00000
     30      -0.0141      0.00000
     31      -3.2969      0.00000
     32       3.1195      0.00000
     33      -1.9146      0.00000
     34       0.9918      0.00000
     35      -5.0877      0.00000
     36       4.4733      0.00000
     37      -1.2358      0.00000
     38       0.5671      0.00000
     39      -3.7933      0.00000
     40       5.3217      0.00000

 k-point  53 :       0.3636    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.2504      0.00000
      2       0.3045      0.00000
      3       0.1302      0.00000
      4      -0.0791      0.00000
      5       0.2442      0.00000
      6      -0.6175      0.00000
      7      -0.3403      0.00000
      8       0.7525      0.00000
      9       0.7549      0.00000
     10      -0.8073      0.00000
     11      -0.2017      0.00000
     12       0.4093      0.00000
     13      -0.7264      0.00000
     14       0.4509      0.00000
     15      -0.6157      0.00000
     16       1.2577      0.00000
     17      -0.9704      0.00000
     18       0.5094      0.00000
     19      -2.8083      0.00000
     20       2.9705      0.00000
     21      -2.4654      0.00000
     22       2.9610      0.00000
     23      -3.8892      0.00000
     24       0.8332      0.00000
     25      -2.4490      0.00000
     26       4.5789      0.00000
     27      -1.0613      0.00000
     28       2.5110      0.00000
     29      -3.7070      0.00000
     30       3.7455      0.00000
     31      -1.9188      0.00000
     32       0.7534      0.00000
     33      -1.0832      0.00000
     34       0.6755      0.00000
     35      -3.6048      0.00000
     36       3.0721      0.00000
     37      -2.1402      0.00000
     38       1.9785      0.00000
     39      -2.6449      0.00000
     40       4.3828      0.00000

 k-point  54 :       0.4545    0.0000    0.5000
  band No.  band energies     occupation 
      1      -0.1673      0.00000
      2       0.2421      0.00000
      3       0.0453      0.00000
      4       0.0556      0.00000
      5       0.4106      0.00000
      6      -0.6004      0.00000
      7      -0.3259      0.00000
      8       1.0308      0.00000
      9       0.7673      0.00000
     10      -0.8161      0.00000
     11       0.3679      0.00000
     12      -0.3338      0.00000
     13      -1.2540      0.00000
     14       0.6107      0.00000
     15      -1.1860      0.00000
     16       0.4267      0.00000
     17      -0.4674      0.00000
     18       1.2021      0.00000
     19      -1.2364      0.00000
     20       1.5749      0.00000
     21      -1.7942      0.00000
     22       2.2995      0.00000
     23      -3.5443      0.00000
     24       0.4552      0.00000
     25      -2.6204      0.00000
     26       5.1133      0.00000
     27      -1.8232      0.00000
     28       2.9991      0.00000
     29      -3.5987      0.00000
     30       3.6449      0.00000
     31      -4.0746      0.00000
     32       2.1949      0.00000
     33      -0.4077      0.00000
     34       0.3766      0.00000
     35      -0.8690      0.00000
     36       0.4732      0.00000
     37      -2.0546      0.00000
     38       4.1783      0.00000
     39      -1.1756      0.00000
     40       2.4025      0.00000

 k-point  55 :       0.0909    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.4647      0.00000
      2       0.4385      0.00000
      3      -0.1195      0.00000
      4       0.6895      0.00000
      5      -0.3940      0.00000
      6      -0.1724      0.00000
      7      -0.2427      0.00000
      8      -0.2556      0.00000
      9       0.7857      0.00000
     10      -0.7996      0.00000
     11       0.8193      0.00000
     12      -0.7368      0.00000
     13      -0.4028      0.00000
     14       0.5694      0.00000
     15      -0.2478      0.00000
     16       0.9650      0.00000
     17      -0.4609      0.00000
     18       1.0333      0.00000
     19      -1.7874      0.00000
     20       1.7947      0.00000
     21      -1.9871      0.00000
     22       0.9223      0.00000
     23      -2.5926      0.00000
     24       1.4041      0.00000
     25      -0.6286      0.00000
     26       0.9860      0.00000
     27      -0.3248      0.00000
     28       2.4544      0.00000
     29      -0.7636      0.00000
     30       1.5024      0.00000
     31      -1.2149      0.00000
     32       0.1296      0.00000
     33      -2.0286      0.00000
     34       1.9353      0.00000
     35      -3.7000      0.00000
     36       2.7226      0.00000
     37      -2.8441      0.00000
     38       1.3712      0.00000
     39      -0.6775      0.00000
     40       1.6198      0.00000

 k-point  56 :       0.1818    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.3899      0.00000
      2       0.3962      0.00000
      3      -0.0886      0.00000
      4       0.2796      0.00000
      5      -0.3491      0.00000
      6       0.0127      0.00000
      7      -0.1682      0.00000
      8      -0.0749      0.00000
      9       0.6281      0.00000
     10      -0.6395      0.00000
     11       0.2987      0.00000
     12      -0.1333      0.00000
     13      -0.1118      0.00000
     14       0.3138      0.00000
     15      -0.4442      0.00000
     16       0.9323      0.00000
     17      -0.4744      0.00000
     18       0.6771      0.00000
     19      -2.6397      0.00000
     20       2.6578      0.00000
     21      -1.1566      0.00000
     22       1.0233      0.00000
     23      -3.7122      0.00000
     24       1.7027      0.00000
     25      -0.7778      0.00000
     26       1.6588      0.00000
     27      -0.1235      0.00000
     28       1.9614      0.00000
     29      -0.4122      0.00000
     30       0.6545      0.00000
     31      -3.8141      0.00000
     32       2.8508      0.00000
     33      -1.1299      0.00000
     34       0.7570      0.00000
     35      -3.6531      0.00000
     36       3.1245      0.00000
     37      -1.8202      0.00000
     38       0.8113      0.00000
     39      -1.2002      0.00000
     40       2.3473      0.00000

 k-point  57 :       0.2727    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.2909      0.00000
      2       0.3327      0.00000
      3       0.1650      0.00000
      4      -0.0697      0.00000
      5      -0.1835      0.00000
      6       0.0121      0.00000
      7      -0.1041      0.00000
      8       0.0765      0.00000
      9       0.4008      0.00000
     10      -0.3324      0.00000
     11      -0.0604      0.00000
     12       0.1875      0.00000
     13      -0.5202      0.00000
     14       0.4673      0.00000
     15      -0.0836      0.00000
     16       0.0685      0.00000
     17       0.0821      0.00000
     18       0.1590      0.00000
     19      -3.1579      0.00000
     20       3.2514      0.00000
     21      -2.0848      0.00000
     22       2.5302      0.00000
     23      -2.7527      0.00000
     24       0.5698      0.00000
     25      -1.1358      0.00000
     26       2.0801      0.00000
     27      -0.4389      0.00000
     28       2.1326      0.00000
     29      -0.2153      0.00000
     30      -0.0758      0.00000
     31      -3.9478      0.00000
     32       3.5630      0.00000
     33      -2.4712      0.00000
     34       1.9981      0.00000
     35      -2.9647      0.00000
     36       1.9908      0.00000
     37      -0.6877      0.00000
     38       0.2638      0.00000
     39      -1.6357      0.00000
     40       2.9268      0.00000

 k-point  58 :       0.3636    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.1913      0.00000
      2       0.2605      0.00000
      3       0.0925      0.00000
      4       0.0564      0.00000
      5       0.1992      0.00000
      6      -0.1187      0.00000
      7      -0.2825      0.00000
      8       0.4318      0.00000
      9       0.5334      0.00000
     10      -0.4285      0.00000
     11       0.1607      0.00000
     12      -0.1592      0.00000
     13      -0.9748      0.00000
     14       0.5194      0.00000
     15      -0.9597      0.00000
     16       0.3199      0.00000
     17      -0.3376      0.00000
     18       0.9196      0.00000
     19      -2.4393      0.00000
     20       2.6942      0.00000
     21      -2.0340      0.00000
     22       2.6006      0.00000
     23      -1.6430      0.00000
     24      -0.3271      0.00000
     25      -1.4508      0.00000
     26       2.3344      0.00000
     27      -1.1956      0.00000
     28       2.7369      0.00000
     29      -1.2130      0.00000
     30       0.7647      0.00000
     31      -3.1791      0.00000
     32       2.5875      0.00000
     33      -0.3840      0.00000
     34       0.1625      0.00000
     35      -3.4372      0.00000
     36       2.5608      0.00000
     37      -1.5487      0.00000
     38       2.8861      0.00000
     39      -0.9023      0.00000
     40       0.7927      0.00000

 k-point  59 :       0.4545    0.0909    0.5000
  band No.  band energies     occupation 
      1      -0.1437      0.00000
      2       0.2231      0.00000
      3       0.0802      0.00000
      4       0.1087      0.00000
      5       0.5989      0.00000
      6      -0.3870      0.00000
      7      -0.4130      0.00000
      8       0.7250      0.00000
      9       0.7404      0.00000
     10      -0.6799      0.00000
     11       0.6059      0.00000
     12      -0.6725      0.00000
     13      -1.4366      0.00000
     14       0.7584      0.00000
     15      -1.1888      0.00000
     16       0.3718      0.00000
     17      -0.3115      0.00000
     18       0.9644      0.00000
     19      -0.4661      0.00000
     20       0.8322      0.00000
     21      -1.2588      0.00000
     22       1.7902      0.00000
     23      -1.2667      0.00000
     24      -0.5982      0.00000
     25      -1.5326      0.00000
     26       2.4598      0.00000
     27      -1.5629      0.00000
     28       2.9660      0.00000
     29      -1.9529      0.00000
     30       2.0032      0.00000
     31      -1.0735      0.00000
     32      -0.1256      0.00000
     33      -0.7332      0.00000
     34       0.1527      0.00000
     35      -1.6768      0.00000
     36       1.1602      0.00000
     37       0.1152      0.00000
     38       2.0697      0.00000
     39      -0.5003      0.00000
     40       2.1006      0.00000

 k-point  60 :       0.1818    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.3052      0.00000
      2       0.3424      0.00000
      3      -0.0330      0.00000
      4       0.1990      0.00000
      5      -0.2579      0.00000
      6      -0.0175      0.00000
      7      -0.0666      0.00000
      8       0.0137      0.00000
      9       0.2833      0.00000
     10      -0.1908      0.00000
     11      -0.0253      0.00000
     12       0.1359      0.00000
     13      -0.3935      0.00000
     14       0.4728      0.00000
     15      -0.5027      0.00000
     16       0.1024      0.00000
     17      -0.2319      0.00000
     18       0.8110      0.00000
     19      -3.3168      0.00000
     20       3.3897      0.00000
     21      -0.7446      0.00000
     22       1.1693      0.00000
     23      -2.3508      0.00000
     24       0.7610      0.00000
     25       0.0143      0.00000
     26       0.2547      0.00000
     27       0.0697      0.00000
     28       1.6911      0.00000
     29      -0.8558      0.00000
     30       0.7705      0.00000
     31      -4.5611      0.00000
     32       4.1390      0.00000
     33      -3.0442      0.00000
     34       2.3775      0.00000
     35      -1.8969      0.00000
     36       0.6781      0.00000
     37      -1.2850      0.00000
     38       1.4398      0.00000
     39      -1.7718      0.00000
     40       1.9267      0.00000

 k-point  61 :       0.2727    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.2064      0.00000
      2       0.2718      0.00000
      3       0.1693      0.00000
      4       0.1223      0.00000
      5       0.1057      0.00000
      6      -0.0706      0.00000
      7      -0.1228      0.00000
      8       0.0097      0.00000
      9       0.2600      0.00000
     10      -0.0432      0.00000
     11       0.0696      0.00000
     12      -0.0802      0.00000
     13      -0.7428      0.00000
     14       0.5321      0.00000
     15      -1.1720      0.00000
     16       0.2495      0.00000
     17      -0.3853      0.00000
     18       1.0794      0.00000
     19      -3.5187      0.00000
     20       3.6876      0.00000
     21      -1.2808      0.00000
     22       1.9699      0.00000
     23      -1.3427      0.00000
     24       0.3611      0.00000
     25      -0.4968      0.00000
     26      -0.0238      0.00000
     27      -0.6218      0.00000
     28       2.2244      0.00000
     29      -0.5492      0.00000
     30       0.4589      0.00000
     31      -3.9502      0.00000
     32       3.7893      0.00000
     33      -2.9164      0.00000
     34       2.4298      0.00000
     35      -2.7451      0.00000
     36       1.6741      0.00000
     37      -0.5002      0.00000
     38       0.9318      0.00000
     39      -0.8852      0.00000
     40       1.0887      0.00000

 k-point  62 :       0.3636    0.1818    0.5000
  band No.  band energies     occupation 
      1      -0.1279      0.00000
      2       0.2100      0.00000
      3       0.2184      0.00000
      4       0.1887      0.00000
      5       0.3403      0.00000
      6       0.0877      0.00000
      7      -0.4290      0.00000
      8       0.2281      0.00000
      9       0.6240      0.00000
     10      -0.4623      0.00000
     11       0.2483      0.00000
     12      -0.2951      0.00000
     13      -1.2380      0.00000
     14       0.7369      0.00000
     15      -1.5044      0.00000
     16       0.3246      0.00000
     17      -0.2333      0.00000
     18       0.9627      0.00000
     19      -1.9579      0.00000
     20       2.2569      0.00000
     21      -1.1721      0.00000
     22       1.8351      0.00000
     23      -2.2759      0.00000
     24       1.6113      0.00000
     25      -0.4496      0.00000
     26      -0.3684      0.00000
     27      -1.1088      0.00000
     28       2.4775      0.00000
     29      -0.3920      0.00000
     30       0.5422      0.00000
     31      -3.1458      0.00000
     32       2.8569      0.00000
     33      -2.0681      0.00000
     34       1.5828      0.00000
     35      -3.2879      0.00000
     36       2.6775      0.00000
     37       0.0313      0.00000
     38       1.1284      0.00000
     39      -0.4382      0.00000
     40       1.2486      0.00000

 k-point  63 :       0.2727    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.1226      0.00000
      2       0.2055      0.00000
      3       0.3862      0.00000
      4       0.2131      0.00000
      5       0.6348      0.00000
      6      -0.2755      0.00000
      7      -0.4016      0.00000
      8       0.0099      0.00000
      9       0.5280      0.00000
     10      -0.3207      0.00000
     11       0.0446      0.00000
     12      -0.0596      0.00000
     13      -1.0173      0.00000
     14       0.7149      0.00000
     15      -1.6989      0.00000
     16       0.2618      0.00000
     17      -0.1902      0.00000
     18       0.9407      0.00000
     19      -3.6258      0.00000
     20       3.8394      0.00000
     21      -1.3703      0.00000
     22       2.2782      0.00000
     23      -2.0103      0.00000
     24       1.5619      0.00000
     25      -1.1375      0.00000
     26      -0.1115      0.00000
     27      -1.0880      0.00000
     28       1.9355      0.00000
     29      -0.0357      0.00000
     30       0.8814      0.00000
     31      -2.3910      0.00000
     32       2.1654      0.00000
     33      -3.8010      0.00000
     34       3.3432      0.00000
     35      -2.5713      0.00000
     36       2.4681      0.00000
     37      -1.2670      0.00000
     38       1.0890      0.00000
     39      -0.2440      0.00000
     40       0.8520      0.00000

 k-point  64 :       0.3636    0.2727    0.5000
  band No.  band energies     occupation 
      1      -0.0972      0.00000
      2       0.1864      0.00000
      3       0.4930      0.00000
      4       0.2735      0.00000
      5       0.2855      0.00000
      6       0.1566      0.00000
      7      -0.5866      0.00000
      8       0.1661      0.00000
      9       0.8415      0.00000
     10      -0.7501      0.00000
     11       0.2449      0.00000
     12      -0.2063      0.00000
     13      -1.3105      0.00000
     14       0.9855      0.00000
     15      -1.9641      0.00000
     16       0.3017      0.00000
     17      -0.0409      0.00000
     18       0.8036      0.00000
     19      -1.3975      0.00000
     20       1.5844      0.00000
     21      -0.5500      0.00000
     22       1.4519      0.00000
     23      -3.4570      0.00000
     24       3.2547      0.00000
     25      -1.5469      0.00000
     26       0.2626      0.00000
     27      -1.4366      0.00000
     28       1.5464      0.00000
     29       0.4042      0.00000
     30       1.1407      0.00000
     31      -1.7305      0.00000
     32       1.3069      0.00000
     33      -3.6548      0.00000
     34       3.2855      0.00000
     35      -4.0662      0.00000
     36       4.4223      0.00000
     37      -0.9209      0.00000
     38       0.9129      0.00000
     39      -0.5948      0.00000
     40       0.6575      0.00000

 k-point  65 :      -0.4545   -0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0479      0.00000
      2       0.0270      0.00000
      3      -0.0533      0.00000
      4      -0.1435      0.00000
      5       0.1743      0.00000
      6       0.2154      0.00000
      7       0.8819      0.00000
      8      -0.4799      0.00000
      9      -0.1402      0.00000
     10      -0.1319      0.00000
     11       0.0691      0.00000
     12       0.0466      0.00000
     13       0.2393      0.00000
     14      -0.9043      0.00000
     15       0.3707      0.00000
     16       0.1821      0.00000
     17       0.4160      0.00000
     18      -0.8522      0.00000
     19      -0.3943      0.00000
     20       1.0155      0.00000
     21      -0.0139      0.00000
     22       0.3597      0.00000
     23      -1.5137      0.00000
     24      -1.3295      0.00000
     25       2.1745      0.00000
     26       0.4732      0.00000
     27      -0.6224      0.00000
     28       1.0337      0.00000
     29       1.0104      0.00000
     30      -1.6348      0.00000
     31       0.2577      0.00000
     32      -0.5791      0.00000
     33       1.8287      0.00000
     34      -1.0654      0.00000
     35      -1.2892      0.00000
     36      -1.5389      0.00000
     37       3.1403      0.00000
     38      -0.9984      0.00000
     39       1.1540      0.00000
     40       1.1210      0.00000

 k-point  66 :      -0.3636   -0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0424      0.00000
      2       0.0116      0.00000
      3      -0.1844      0.00000
      4       0.0141      0.00000
      5       0.0816      0.00000
      6       0.3424      0.00000
      7      -0.5386      0.00000
      8       0.3163      0.00000
      9      -0.5068      0.00000
     10      -0.1502      0.00000
     11       0.0778      0.00000
     12       0.4136      0.00000
     13       0.5828      0.00000
     14      -0.0230      0.00000
     15      -0.1656      0.00000
     16       0.2864      0.00000
     17       0.2479      0.00000
     18      -0.6808      0.00000
     19      -0.4032      0.00000
     20       0.2242      0.00000
     21       1.4597      0.00000
     22      -0.5013      0.00000
     23      -1.2141      0.00000
     24      -1.2582      0.00000
     25       2.2251      0.00000
     26       0.1104      0.00000
     27      -1.1781      0.00000
     28       1.6037      0.00000
     29      -1.3634      0.00000
     30       0.8106      0.00000
     31       0.2881      0.00000
     32      -0.2904      0.00000
     33       1.6723      0.00000
     34      -2.5699      0.00000
     35      -0.2169      0.00000
     36      -2.4011      0.00000
     37       2.1557      0.00000
     38       0.7770      0.00000
     39       0.6103      0.00000
     40       0.5270      0.00000

 k-point  67 :      -0.2727   -0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0320      0.00000
      2      -0.0133      0.00000
      3      -0.2665      0.00000
      4       0.1008      0.00000
      5      -0.0830      0.00000
      6       0.3374      0.00000
      7      -0.6206      0.00000
      8      -0.0785      0.00000
      9      -0.1949      0.00000
     10      -0.0959      0.00000
     11       0.0406      0.00000
     12       0.4618      0.00000
     13       0.6950      0.00000
     14       0.2259      0.00000
     15      -0.1057      0.00000
     16       0.4491      0.00000
     17       0.0171      0.00000
     18      -0.4091      0.00000
     19      -0.2085      0.00000
     20      -0.3457      0.00000
     21       1.1316      0.00000
     22      -0.7509      0.00000
     23      -0.1897      0.00000
     24      -1.2690      0.00000
     25       1.6578      0.00000
     26      -0.0083      0.00000
     27      -1.2273      0.00000
     28      -0.7484      0.00000
     29       1.9213      0.00000
     30       0.7235      0.00000
     31      -0.4644      0.00000
     32      -0.2652      0.00000
     33      -0.2445      0.00000
     34      -0.0451      0.00000
     35       3.0407      0.00000
     36      -0.1792      0.00000
     37      -4.9598      0.00000
     38      -1.6449      0.00000
     39      -0.8590      0.00000
     40       2.4337      0.00000

 k-point  68 :      -0.1818   -0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0199      0.00000
      2      -0.0393      0.00000
      3      -0.2968      0.00000
      4       0.3639      0.00000
      5      -0.2555      0.00000
      6       0.1119      0.00000
      7      -0.6901      0.00000
      8       0.0106      0.00000
      9      -0.0244      0.00000
     10      -0.0346      0.00000
     11       0.0126      0.00000
     12       0.2398      0.00000
     13       0.5624      0.00000
     14       0.2809      0.00000
     15       0.2515      0.00000
     16       0.6171      0.00000
     17      -0.1463      0.00000
     18      -0.1264      0.00000
     19      -0.0708      0.00000
     20      -0.2892      0.00000
     21      -0.1369      0.00000
     22      -0.4937      0.00000
     23       0.5538      0.00000
     24       0.9128      0.00000
     25      -1.3299      0.00000
     26      -0.3270      0.00000
     27      -0.4804      0.00000
     28       0.1830      0.00000
     29       1.3200      0.00000
     30       0.1145      0.00000
     31       0.4910      0.00000
     32      -0.1865      0.00000
     33      -0.7467      0.00000
     34      -0.4950      0.00000
     35       2.0960      0.00000
     36      -0.2439      0.00000
     37       0.1416      0.00000
     38      -4.3859      0.00000
     39      -4.2051      0.00000
     40       5.6623      0.00000

 k-point  69 :      -0.0909   -0.0000    0.1667
  band No.  band energies     occupation 
      1       0.0103      0.00000
      2      -0.0587      0.00000
      3      -0.1930      0.00000
      4      -0.3755      0.00000
      5       1.1954      0.00000
      6      -0.3908      0.00000
      7      -0.7322      0.00000
      8      -0.2281      0.00000
      9       0.0338      0.00000
     10       0.0081      0.00000
     11      -0.0079      0.00000
     12       0.0297      0.00000
     13       0.4773      0.00000
     14       0.3700      0.00000
     15       0.2706      0.00000
     16       0.7459      0.00000
     17      -0.0766      0.00000
     18       0.0854      0.00000
     19       0.0109      0.00000
     20      -0.3257      0.00000
     21      -0.5106      0.00000
     22      -0.3739      0.00000
     23       0.3574      0.00000
     24      -0.1684      0.00000
     25      -0.4294      0.00000
     26      -0.6326      0.00000
     27       0.2921      0.00000
     28       0.9769      0.00000
     29      -0.0541      0.00000
     30       0.8305      0.00000
     31      -0.1078      0.00000
     32       0.0968      0.00000
     33       0.3557      0.00000
     34      -1.9021      0.00000
     35      -0.5025      0.00000
     36       0.9361      0.00000
     37       0.2744      0.00000
     38      -2.7042      0.00000
     39      -3.1361      0.00000
     40       4.1978      0.00000

 k-point  70 :      -0.4545    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0464      0.00000
      2       0.0229      0.00000
      3      -0.1039      0.00000
      4       0.0536      0.00000
      5       0.1394      0.00000
      6       0.0910      0.00000
      7       0.6227      0.00000
      8      -0.4343      0.00000
      9      -0.4013      0.00000
     10       0.0464      0.00000
     11       0.0308      0.00000
     12       0.0886      0.00000
     13       0.3882      0.00000
     14      -0.4062      0.00000
     15       0.0883      0.00000
     16       0.2145      0.00000
     17      -0.0406      0.00000
     18      -0.4749      0.00000
     19      -0.4692      0.00000
     20       1.3636      0.00000
     21      -0.1819      0.00000
     22       0.3151      0.00000
     23      -1.2863      0.00000
     24      -1.0737      0.00000
     25       1.4994      0.00000
     26      -0.2929      0.00000
     27       0.1976      0.00000
     28       0.2713      0.00000
     29       0.6311      0.00000
     30      -0.3148      0.00000
     31       0.4263      0.00000
     32       0.1536      0.00000
     33      -0.2010      0.00000
     34      -1.4531      0.00000
     35      -0.4725      0.00000
     36      -0.9067      0.00000
     37       1.4088      0.00000
     38       1.1553      0.00000
     39       0.3421      0.00000
     40      -0.5263      0.00000

 k-point  71 :      -0.3636    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0389      0.00000
      2       0.0025      0.00000
      3      -0.2272      0.00000
      4       0.1444      0.00000
      5      -0.0071      0.00000
      6       0.1876      0.00000
      7      -0.5058      0.00000
      8       0.0671      0.00000
      9      -0.2291      0.00000
     10      -0.1019      0.00000
     11       0.0375      0.00000
     12       0.3919      0.00000
     13       0.6941      0.00000
     14       0.1226      0.00000
     15      -0.1049      0.00000
     16       0.1925      0.00000
     17      -0.3947      0.00000
     18      -0.0796      0.00000
     19      -0.2182      0.00000
     20      -0.0229      0.00000
     21       1.5259      0.00000
     22      -0.8647      0.00000
     23      -0.7180      0.00000
     24      -1.0177      0.00000
     25       1.5195      0.00000
     26      -0.6334      0.00000
     27      -0.1941      0.00000
     28       0.1760      0.00000
     29       1.2047      0.00000
     30       0.3618      0.00000
     31      -0.4263      0.00000
     32      -0.4454      0.00000
     33       0.5737      0.00000
     34       0.9542      0.00000
     35      -2.9958      0.00000
     36      -1.3255      0.00000
     37       0.1428      0.00000
     38       1.4997      0.00000
     39       0.1171      0.00000
     40       1.1422      0.00000

 k-point  72 :      -0.2727    0.0909    0.1667
  band No.  band energies     occupation 
      1       0.0278      0.00000
      2      -0.0229      0.00000
      3      -0.2758      0.00000
      4       0.1098      0.00000
      5      -0.0476      0.00000
      6       0.0449      0.00000
      7      -0.5168      0.00000
      8      -0.0137      0.00000
      9      -0.0305      0.00000
     10      -0.0610      0.00000
     11       0.0061      0.00000
     12       0.3252      0.00000
     13       0.6424      0.00000
     14       0.2322      0.00000
     15       0.2502      0.00000
     16       0.2723      0.00000
     17      -0.2213      0.00000
     18      -0.1534      0.00000
     19      -0.0380      0.00000
     20      -0.2089      0.00000
     21       0.0994      0.00000
     22      -0.3310      0.00000
     23       0.0903      0.00000
     24      -0.9552      0.00000
     25       0.9560      0.00000
     26      -0.3112      0.00000
     27      -0.6183      0.00000
     28       0.6746      0.00000
     29       1.2496      0.00000
     30       0.7457      0.00000
     31      -1.5294      0.00000
     32      -0.7405      0.00000
     33       1.3712      0.00000
     34      -0.3606      0.00000
     35       1.1361      0.00000
     36      -0.2144      0.00000
     37      -2.0004      0.00000
     38      -2.3105      0.00000
     39      -1.1811      0.00000
     40       2.5854      0.00000

 k-point  73 :      -0.5455    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0487      0.00000
      2       0.0337      0.00000
      3       0.1104      0.00000
      4       0.2158      0.00000
      5       0.1859      0.00000
      6      -0.1902      0.00000
      7       0.7213      0.00000
      8      -0.3783      0.00000
      9      -0.2017      0.00000
     10       0.2511      0.00000
     11      -0.0783      0.00000
     12       0.0309      0.00000
     13       0.0478      0.00000
     14      -0.6506      0.00000
     15      -0.0445      0.00000
     16       0.3813      0.00000
     17      -0.8291      0.00000
     18       0.0905      0.00000
     19      -0.4811      0.00000
     20       2.9814      0.00000
     21      -1.4229      0.00000
     22       0.2639      0.00000
     23      -0.8868      0.00000
     24       0.1802      0.00000
     25      -0.7337      0.00000
     26      -0.0124      0.00000
     27       0.5019      0.00000
     28      -0.2775      0.00000
     29       1.1402      0.00000
     30       1.2382      0.00000
     31      -1.5499      0.00000
     32       0.3354      0.00000
     33       0.1624      0.00000
     34      -1.1175      0.00000
     35      -0.6861      0.00000
     36      -0.3418      0.00000
     37       0.4889      0.00000
     38      -0.2136      0.00000
     39       1.7025      0.00000
     40      -0.2721      0.00000

 k-point  74 :      -0.4545    0.1818    0.1667
  band No.  band energies     occupation 
      1       0.0456      0.00000
      2       0.0199      0.00000
      3      -0.1451      0.00000
      4       0.2885      0.00000
      5       0.1570      0.00000
      6       0.0178      0.00000
      7      -0.1126      0.00000
      8      -0.2045      0.00000
      9      -0.0569      0.00000
     10       0.0740      0.00000
     11      -0.0125      0.00000
     12       0.0626      0.00000
     13       0.4713      0.00000
     14      -0.0911      0.00000
     15      -0.1647      0.00000
     16       0.2223      0.00000
     17      -0.8866      0.00000
     18       0.2284      0.00000
     19      -0.1384      0.00000
     20       1.0007      0.00000
     21       1.1336      0.00000
     22      -1.1156      0.00000
     23      -0.6392      0.00000
     24       0.2680      0.00000
     25      -0.5471      0.00000
     26      -0.2931      0.00000
     27       0.2295      0.00000
     28       0.3371      0.00000
     29       1.2512      0.00000
     30       1.0382      0.00000
     31      -1.4988      0.00000
     32      -0.3491      0.00000
     33       0.5135      0.00000
     34      -0.2126      0.00000
     35      -1.3921      0.00000
     36      -0.6907      0.00000
     37      -0.5745      0.00000
     38       1.6973      0.00000
     39       0.6550      0.00000
     40       0.1013      0.00000

 k-point  75 :      -0.4545   -0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0430      0.00000
      2       0.0318      0.00000
      3      -0.0331      0.00000
      4       0.0729      0.00000
      5       0.0732      0.00000
      6       0.0512      0.00000
      7       0.7488      0.00000
      8      -0.3008      0.00000
      9      -0.1579      0.00000
     10      -0.2965      0.00000
     11       0.1080      0.00000
     12       0.2000      0.00000
     13       0.2494      0.00000
     14      -0.8118      0.00000
     15       0.3831      0.00000
     16      -0.0792      0.00000
     17      -0.6550      0.00000
     18       0.3841      0.00000
     19      -0.6596      0.00000
     20       1.1785      0.00000
     21      -0.5298      0.00000
     22       1.0241      0.00000
     23      -1.4962      0.00000
     24      -1.8994      0.00000
     25       1.8748      0.00000
     26       0.6622      0.00000
     27       0.3673      0.00000
     28       0.7999      0.00000
     29      -0.1743      0.00000
     30      -1.4995      0.00000
     31       0.9484      0.00000
     32       0.2489      0.00000
     33      -0.5767      0.00000
     34      -0.7226      0.00000
     35      -0.0490      0.00000
     36      -1.2494      0.00000
     37       3.2883      0.00000
     38       0.6533      0.00000
     39       1.4516      0.00000
     40      -1.7176      0.00000

 k-point  76 :      -0.3636   -0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0352      0.00000
      2       0.0189      0.00000
      3      -0.1440      0.00000
      4       0.1713      0.00000
      5      -0.0158      0.00000
      6       0.1553      0.00000
      7       0.2705      0.00000
      8      -0.3847      0.00000
      9      -0.3449      0.00000
     10      -0.1852      0.00000
     11       0.1299      0.00000
     12       0.4525      0.00000
     13       0.3133      0.00000
     14      -0.4016      0.00000
     15       0.3066      0.00000
     16       0.0465      0.00000
     17      -0.4905      0.00000
     18       0.3054      0.00000
     19      -0.7963      0.00000
     20       0.8389      0.00000
     21       1.3057      0.00000
     22      -0.5039      0.00000
     23      -1.0599      0.00000
     24      -2.1663      0.00000
     25       2.1887      0.00000
     26      -0.0220      0.00000
     27      -0.1030      0.00000
     28       1.2646      0.00000
     29      -1.2166      0.00000
     30       0.3671      0.00000
     31       0.6246      0.00000
     32       0.6357      0.00000
     33      -0.9924      0.00000
     34      -1.6007      0.00000
     35       1.1264      0.00000
     36      -2.5475      0.00000
     37       2.7512      0.00000
     38      -0.0595      0.00000
     39       1.5013      0.00000
     40       0.3145      0.00000

 k-point  77 :      -0.2727   -0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0224      0.00000
      2      -0.0029      0.00000
      3      -0.1914      0.00000
      4       0.2504      0.00000
      5      -0.1669      0.00000
      6       0.1284      0.00000
      7       0.0887      0.00000
      8      -0.5013      0.00000
      9      -0.1125      0.00000
     10      -0.1213      0.00000
     11       0.0820      0.00000
     12       0.3165      0.00000
     13       0.4526      0.00000
     14      -0.2415      0.00000
     15       0.4147      0.00000
     16       0.2424      0.00000
     17       0.1513      0.00000
     18      -0.2341      0.00000
     19      -0.4184      0.00000
     20       0.1212      0.00000
     21       1.5379      0.00000
     22      -1.4781      0.00000
     23       0.3817      0.00000
     24      -2.3947      0.00000
     25       2.0595      0.00000
     26      -0.6359      0.00000
     27      -0.6286      0.00000
     28       2.1687      0.00000
     29      -0.4491      0.00000
     30       0.2675      0.00000
     31       0.0749      0.00000
     32       0.2502      0.00000
     33      -1.5103      0.00000
     34       0.0551      0.00000
     35       2.8906      0.00000
     36      -4.3910      0.00000
     37      -1.3544      0.00000
     38      -1.2699      0.00000
     39       2.6394      0.00000
     40       3.0651      0.00000

 k-point  78 :      -0.1818   -0.0000    0.3333
  band No.  band energies     occupation 
      1       0.0079      0.00000
      2      -0.0259      0.00000
      3      -0.1560      0.00000
      4       0.4868      0.00000
      5      -0.3194      0.00000
      6       0.0229      0.00000
      7       0.0146      0.00000
      8      -0.5978      0.00000
      9      -0.0003      0.00000
     10      -0.0605      0.00000
     11       0.0434      0.00000
     12       0.1212      0.00000
     13       0.3655      0.00000
     14      -0.2349      0.00000
     15       0.7304      0.00000
     16       0.4432      0.00000
     17       0.0627      0.00000
     18       0.0295      0.00000
     19      -0.1532      0.00000
     20      -0.0469      0.00000
     21      -0.0296      0.00000
     22      -1.1231      0.00000
     23       1.4239      0.00000
     24      -2.1687      0.00000
     25       1.3212      0.00000
     26      -0.8550      0.00000
     27      -0.5812      0.00000
     28       2.5087      0.00000
     29       0.4945      0.00000
     30      -1.0417      0.00000
     31      -0.0937      0.00000
     32       1.0174      0.00000
     33       0.9285      0.00000
     34      -2.9845      0.00000
     35       2.4316      0.00000
     36      -0.4309      0.00000
     37      -3.9782      0.00000
     38      -0.3360      0.00000
     39       0.4745      0.00000
     40       0.6324      0.00000

 k-point  79 :      -0.0909   -0.0000    0.3333
  band No.  band energies     occupation 
      1      -0.0033      0.00000
      2      -0.0430      0.00000
      3      -0.0424      0.00000
      4       1.0355      0.00000
      5      -0.4284      0.00000
      6      -0.1288      0.00000
      7      -0.3584      0.00000
      8      -0.6508      0.00000
      9       0.0355      0.00000
     10      -0.0173      0.00000
     11       0.0111      0.00000
     12      -0.0080      0.00000
     13       0.2689      0.00000
     14      -0.1627      0.00000
     15       0.6891      0.00000
     16       0.5963      0.00000
     17       0.1924      0.00000
     18       0.2249      0.00000
     19      -0.0056      0.00000
     20      -0.0967      0.00000
     21      -0.6855      0.00000
     22      -0.6763      0.00000
     23      -0.5581      0.00000
     24       0.0365      0.00000
     25       0.5845      0.00000
     26      -0.8355      0.00000
     27       0.2792      0.00000
     28       0.9228      0.00000
     29       1.2137      0.00000
     30      -0.1092      0.00000
     31       0.7663      0.00000
     32      -0.0507      0.00000
     33      -0.4986      0.00000
     34      -1.9698      0.00000
     35       1.3183      0.00000
     36      -0.7471      0.00000
     37       0.1544      0.00000
     38      -2.6051      0.00000
     39       0.6639      0.00000
     40       0.5637      0.00000

 k-point  80 :      -0.4545    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0408      0.00000
      2       0.0285      0.00000
      3      -0.0795      0.00000
      4       0.2045      0.00000
      5       0.1165      0.00000
      6      -0.0254      0.00000
      7       0.2265      0.00000
      8      -0.0808      0.00000
      9      -0.2911      0.00000
     10       0.0896      0.00000
     11      -0.0606      0.00000
     12       0.2373      0.00000
     13       0.2302      0.00000
     14      -0.5436      0.00000
     15       0.0355      0.00000
     16       0.2105      0.00000
     17      -0.5908      0.00000
     18       0.2956      0.00000
     19      -0.9119      0.00000
     20       1.4899      0.00000
     21      -0.6926      0.00000
     22       1.1501      0.00000
     23      -1.1963      0.00000
     24      -0.8609      0.00000
     25       1.3908      0.00000
     26      -1.0532      0.00000
     27       0.8071      0.00000
     28       0.8602      0.00000
     29      -0.4526      0.00000
     30       0.9959      0.00000
     31      -0.9776      0.00000
     32       0.3617      0.00000
     33      -0.4421      0.00000
     34      -0.4659      0.00000
     35      -1.2726      0.00000
     36      -0.4954      0.00000
     37       3.1622      0.00000
     38       0.0881      0.00000
     39       0.0450      0.00000
     40      -0.3086      0.00000

 k-point  81 :      -0.3636    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0309      0.00000
      2       0.0108      0.00000
      3      -0.1578      0.00000
      4       0.2384      0.00000
      5      -0.0989      0.00000
      6       0.0828      0.00000
      7      -0.0779      0.00000
      8      -0.1632      0.00000
      9      -0.0939      0.00000
     10      -0.1414      0.00000
     11       0.0543      0.00000
     12       0.3348      0.00000
     13       0.3745      0.00000
     14      -0.2570      0.00000
     15       0.3105      0.00000
     16       0.0493      0.00000
     17      -0.3596      0.00000
     18       0.1803      0.00000
     19      -0.4907      0.00000
     20       0.4269      0.00000
     21       1.7623      0.00000
     22      -1.2533      0.00000
     23      -0.4203      0.00000
     24      -1.7247      0.00000
     25       1.8166      0.00000
     26      -1.0437      0.00000
     27       0.1361      0.00000
     28       1.3146      0.00000
     29       0.2526      0.00000
     30       0.9781      0.00000
     31      -2.8337      0.00000
     32       1.7802      0.00000
     33      -0.5744      0.00000
     34       1.2285      0.00000
     35      -1.5831      0.00000
     36      -1.3806      0.00000
     37      -1.2810      0.00000
     38       0.6720      0.00000
     39       1.6231      0.00000
     40       2.3000      0.00000

 k-point  82 :      -0.2727    0.0909    0.3333
  band No.  band energies     occupation 
      1       0.0174      0.00000
      2      -0.0116      0.00000
      3      -0.1352      0.00000
      4       0.2482      0.00000
      5      -0.1920      0.00000
      6      -0.0221      0.00000
      7      -0.0524      0.00000
      8      -0.3109      0.00000
      9       0.0146      0.00000
     10      -0.0754      0.00000
     11       0.0256      0.00000
     12       0.1891      0.00000
     13       0.4109      0.00000
     14      -0.1717      0.00000
     15       0.5363      0.00000
     16       0.2044      0.00000
     17       0.0818      0.00000
     18      -0.0985      0.00000
     19      -0.1451      0.00000
     20       0.0075      0.00000
     21       0.3490      0.00000
     22      -0.7416      0.00000
     23       1.0398      0.00000
     24      -2.5861      0.00000
     25       1.3936      0.00000
     26      -0.4957      0.00000
     27      -0.4236      0.00000
     28       1.4537      0.00000
     29       1.2314      0.00000
     30      -0.3085      0.00000
     31      -1.2481      0.00000
     32       0.3590      0.00000
     33      -0.1034      0.00000
     34       0.1560      0.00000
     35       1.1331      0.00000
     36      -2.3275      0.00000
     37      -1.8968      0.00000
     38      -0.2666      0.00000
     39       1.0170      0.00000
     40       1.6508      0.00000

 k-point  83 :      -0.5455    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0451      0.00000
      2       0.0370      0.00000
      3       0.0885      0.00000
      4       0.3047      0.00000
      5       0.3091      0.00000
      6      -0.0821      0.00000
      7       0.2154      0.00000
      8      -0.2064      0.00000
      9      -0.1511      0.00000
     10       0.2743      0.00000
     11      -0.0898      0.00000
     12       0.0135      0.00000
     13       0.0585      0.00000
     14      -0.5406      0.00000
     15      -0.2818      0.00000
     16      -0.4803      0.00000
     17      -0.0315      0.00000
     18       0.3573      0.00000
     19      -0.8944      0.00000
     20       2.2504      0.00000
     21      -1.2177      0.00000
     22       0.8717      0.00000
     23      -0.5731      0.00000
     24       0.0244      0.00000
     25      -0.4804      0.00000
     26      -0.2828      0.00000
     27       0.4417      0.00000
     28       0.5160      0.00000
     29       0.3391      0.00000
     30       0.5579      0.00000
     31      -0.7349      0.00000
     32       0.0122      0.00000
     33      -0.2349      0.00000
     34      -0.1251      0.00000
     35      -1.2698      0.00000
     36       0.6319      0.00000
     37       0.7850      0.00000
     38       0.2016      0.00000
     39       0.1680      0.00000
     40       0.1298      0.00000

 k-point  84 :      -0.4545    0.1818    0.3333
  band No.  band energies     occupation 
      1       0.0398      0.00000
      2       0.0256      0.00000
      3      -0.0705      0.00000
      4       0.3512      0.00000
      5       0.1009      0.00000
      6      -0.0308      0.00000
      7      -0.1550      0.00000
      8      -0.0466      0.00000
      9       0.0549      0.00000
     10       0.0460      0.00000
     11      -0.0591      0.00000
     12       0.1172      0.00000
     13       0.2064      0.00000
     14      -0.2826      0.00000
     15      -0.2443      0.00000
     16       0.2309      0.00000
     17      -0.5729      0.00000
     18       0.3010      0.00000
     19      -0.4209      0.00000
     20       0.9132      0.00000
     21       1.0491      0.00000
     22      -0.7907      0.00000
     23      -0.6184      0.00000
     24      -0.0179      0.00000
     25      -0.2138      0.00000
     26      -0.5037      0.00000
     27       0.1277      0.00000
     28       1.0540      0.00000
     29       0.8651      0.00000
     30      -0.2529      0.00000
     31      -0.7484      0.00000
     32       0.3720      0.00000
     33      -0.7997      0.00000
     34       0.5119      0.00000
     35      -0.9588      0.00000
     36      -0.7812      0.00000
     37       1.2337      0.00000
     38       0.0436      0.00000
     39       0.4594      0.00000
     40      -0.1858      0.00000


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


 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    1.30: real time    1.30
    STRESS:  cpu time    2.66: real time    2.66
    FORCOR:  cpu time    0.07: real time    0.07
 FEWALD executed in parallel
    FORLOC:  cpu time    0.01: real time    0.01
    FORNL :  cpu time    1.29: real time    1.30
    STRESS:  cpu time    2.66: real time    2.66
    FORCOR:  cpu time    0.07: real time    0.07
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    1.30: real time    1.30
    STRESS:  cpu time    2.66: real time    2.66
    FORCOR:  cpu time    0.07: real time    0.07
 FEWALD executed in parallel
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    1.30: real time    1.30
    STRESS:  cpu time    2.66: real time    2.67
    FORCOR:  cpu time    0.06: real time    0.06

 INTERNAL STRAIN TENSOR  FOR ION    3  DIRECTION 3   (eV/Angst):
 -----------------------------------------------------------------------------
     3.75585 -0.00000  0.00000
    -0.00000  3.75585 -0.00000
    -0.00000  0.00000 -7.74537


 POSITION                   FORCE-CONSTANT FOR ION    3 DIRECTION 3 (eV/Angst/Angst)
 -----------------------------------------------------------------------------------
      0.95120      1.64753      0.00476         0.000000     -0.000000      4.253289
      1.90240      0.00000      2.64717        -0.000000      0.000000      1.521801
      0.95120      1.64753      2.01669        -0.000000      0.000000    -10.406166
      1.90240      0.00000      4.65910        -0.000000      0.000000      4.631077
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


 BORN EFFECTIVE CHARGE FOR ION    3 DIRECTION 3 :  -0.000   0.000  -2.184
                   rigid augmentation           :   0.000   0.000  -0.624
                   ionic contribution           :   0.000   0.000   6.000
                   Berry contribution           :  -0.000   0.000  -7.560


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


  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2950581330
 C/A-ratio  =     1.6038637181
  
  Lattice vectors:
  
 A1 = (   2.8536040501,  -1.6475290665,   0.0000000000)
 A2 = (   0.0000000000,   3.2950581330,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2848241887)


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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




 MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)
 ------------------------------------------------------
           5.738971     0.000000     0.000000
           0.000000     5.738971     0.000000
          -0.000000     0.000000     5.673464
 ------------------------------------------------------


 PIEZOELECTRIC TENSOR  for field in x, y, z        (e  Angst)
          XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -0.00021    -0.00004     0.00001    -0.00000    -0.00000     1.24679
  y    -0.00008    -0.00020     0.00000    -0.00000     1.24695    -0.00000
  z     1.19427     1.19427    -2.41918    -0.00000    -0.00000    -0.00000

 PIEZOELECTRIC TENSOR  for field in x, y, z        (C/m^2)
          XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -0.00000    -0.00000     0.00000     0.00000     0.00000     0.40201
  y     0.00000     0.00000     0.00000    -0.00000     0.40202     0.00000
  z     0.38506     0.38506    -0.77999     0.00000     0.00000    -0.00000

 BORN EFFECTIVE CHARGES (in e, cummulative output)
 -------------------------------------------------
 ion    1
    1     2.13469    -0.00000    -0.00003
    2     0.00005     2.13469    -0.00003
    3     0.00000     0.00000     2.17943
 ion    2
    1     2.13475    -0.00000    -0.00004
    2    -0.00005     2.13469    -0.00003
    3    -0.00000     0.00000     2.17943
 ion    3
    1    -2.14024     0.00000     0.00004
    2     0.00002    -2.14027     0.00004
    3    -0.00000     0.00000    -2.18486
 ion    4
    1    -2.14027    -0.00000     0.00005
    2    -0.00002    -2.14027     0.00004
    3     0.00000     0.00000    -2.18486

 INTERNAL STRAIN TENSOR FOR ION    1 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -5.94493     5.94493     0.00000    -0.00000    -0.00000    -3.78895
  y     0.00000     0.00000     0.00000     5.94493    -3.63378    -0.00000
  z    -3.74159    -3.74159     7.78924     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    2 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     5.94493    -5.94493     0.00000     0.00000     0.00000    -3.78895
  y     0.00000     0.00000     0.00000    -5.94493    -3.63378     0.00000
  z    -3.74159    -3.74159     7.78924     0.00000     0.00000    -0.00000

 INTERNAL STRAIN TENSOR FOR ION    3 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x    -7.13774     7.13774    -0.00000    -0.00000     0.00000     3.69214
  y     0.00000     0.00000    -0.00000     7.13774     3.93661     0.00000
  z     3.75585     3.75585    -7.74537     0.00000    -0.00000    -0.00000

 INTERNAL STRAIN TENSOR FOR ION    4 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     7.13774    -7.13774     0.00000     0.00000     0.00000     3.69214
  y     0.00000     0.00000     0.00000    -7.13774     3.93661     0.00000
  z     3.75585     3.75585    -7.74537     0.00000     0.00000     0.00000


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



 SECOND DERIVATIVES (NOT SYMMETRIZED)
 ------------------------------------
               1X          1Y          1Z          2X          2Y          2Z          3X          3Y          3Z          4X          4Y          4Z 
  1X    -6.844974    0.000000    0.000000    0.282465   -0.000000   -0.000000    0.126259   -0.000000    0.000000    6.436251    0.000000   -0.000000
  1Y     0.000000   -6.844974    0.000000    0.000000    0.282465    0.000000    0.000000    0.126259    0.000000   -0.000000    6.436251    0.000000
  1Z     0.000000    0.000000  -10.532588    0.000000    0.000000    4.681018   -0.000000    0.000000    4.294309   -0.000000   -0.000000    1.557262
  2X     0.282465    0.000000    0.000000   -6.844974    0.000000   -0.000000    6.436251    0.000000    0.000000    0.126259    0.000000   -0.000000
  2Y    -0.000000    0.282465    0.000000    0.000000   -6.844974    0.000000    0.000000    6.436251    0.000000    0.000000    0.126259    0.000000
  2Z    -0.000000    0.000000    4.681018    0.000000   -0.000000  -10.532588    0.000000    0.000000    1.557262    0.000000    0.000000    4.294309
  3X     0.115394    0.000000    0.000000    6.424565    0.000000    0.000000   -7.398421   -0.000000    0.000000    0.858462   -0.000000    0.000000
  3Y     0.000000    0.115394    0.000000    0.000000    6.424565    0.000000    0.000000   -7.398421   -0.000000   -0.000000    0.858462    0.000000
  3Z     0.000000    0.000000    4.253289    0.000000    0.000000    1.521801    0.000000    0.000000  -10.406166   -0.000000    0.000000    4.631077
  4X     6.424565    0.000000    0.000000    0.115394   -0.000000    0.000000    0.858462   -0.000000    0.000000   -7.398421    0.000000   -0.000000
  4Y     0.000000    6.424565    0.000000    0.000000    0.115394    0.000000    0.000000    0.858462    0.000000   -0.000000   -7.398421    0.000000
  4Z     0.000000    0.000000    1.521801    0.000000    0.000000    4.253289    0.000000   -0.000000    4.631077   -0.000000    0.000000  -10.406166


 Eigenvectors and eigenvalues of the dynamical matrix
 ----------------------------------------------------


   1 f  =   15.235790 THz    95.729293 2PiTHz  508.211241 cm-1    63.010186 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758     0.000000   -0.000000    0.082778  
      1.902403  0.000000  2.647170    -0.000000    0.000000   -0.082778  
      0.951201  1.647529  2.016687     0.000000   -0.000000   -0.702245  
      1.902403  0.000000  4.659099    -0.000000    0.000000    0.702245  

   2 f  =   12.053268 THz    75.732915 2PiTHz  402.053725 cm-1    49.848327 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.251926    0.077749   -0.000000  
      1.902403  0.000000  2.647170     0.251926   -0.077749   -0.000000  
      0.951201  1.647529  2.016687    -0.626938    0.193485    0.000000  
      1.902403  0.000000  4.659099     0.626938   -0.193485    0.000000  

   3 f  =   12.053268 THz    75.732915 2PiTHz  402.053725 cm-1    49.848327 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.077749   -0.251926   -0.000000  
      1.902403  0.000000  2.647170     0.077749    0.251926   -0.000000  
      0.951201  1.647529  2.016687    -0.193485   -0.626938    0.000000  
      1.902403  0.000000  4.659099     0.193485    0.626938    0.000000  

   4 f  =   11.154634 THz    70.086633 2PiTHz  372.078531 cm-1    46.131875 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.293837   -0.110563   -0.000000  
      1.902403  0.000000  2.647170    -0.293837   -0.110563   -0.000000  
      0.951201  1.647529  2.016687     0.592999    0.223130    0.000000  
      1.902403  0.000000  4.659099     0.592999    0.223130    0.000000  

   5 f  =   11.154634 THz    70.086633 2PiTHz  372.078531 cm-1    46.131875 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758     0.110563   -0.293837    0.000000  
      1.902403  0.000000  2.647170     0.110563   -0.293837    0.000000  
      0.951201  1.647529  2.016687    -0.223130    0.592999   -0.000000  
      1.902403  0.000000  4.659099    -0.223130    0.592999   -0.000000  

   6 f  =   10.492187 THz    65.924354 2PiTHz  349.981672 cm-1    43.392213 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.000000   -0.000000    0.315178  
      1.902403  0.000000  2.647170    -0.000000   -0.000000    0.315178  
      0.951201  1.647529  2.016687     0.000000    0.000000   -0.632979  
      1.902403  0.000000  4.659099     0.000000    0.000000   -0.632979  

   7 f  =    7.377447 THz    46.353864 2PiTHz  246.085122 cm-1    30.510677 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758     0.000000   -0.000000   -0.702245  
      1.902403  0.000000  2.647170     0.000000    0.000000    0.702245  
      0.951201  1.647529  2.016687    -0.000000   -0.000000   -0.082778  
      1.902403  0.000000  4.659099    -0.000000    0.000000    0.082778  

   8 f  =    2.735332 THz    17.186597 2PiTHz   91.240848 cm-1    11.312427 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.090900    0.649789   -0.000000  
      1.902403  0.000000  2.647170     0.090900   -0.649789   -0.000000  
      0.951201  1.647529  2.016687     0.036527   -0.261108   -0.000000  
      1.902403  0.000000  4.659099    -0.036527    0.261108   -0.000000  

   9 f  =    2.735332 THz    17.186597 2PiTHz   91.240848 cm-1    11.312427 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.649789   -0.090900    0.000000  
      1.902403  0.000000  2.647170     0.649789    0.090900    0.000000  
      0.951201  1.647529  2.016687     0.261108    0.036527    0.000000  
      1.902403  0.000000  4.659099    -0.261108   -0.036527    0.000000  

  10 f/i=    0.007638 THz     0.047988 2PiTHz    0.254761 cm-1     0.031586 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.580133   -0.254717    0.000000  
      1.902403  0.000000  2.647170    -0.580133   -0.254717    0.000000  
      0.951201  1.647529  2.016687    -0.287462   -0.126215    0.000000  
      1.902403  0.000000  4.659099    -0.287462   -0.126215    0.000000  

  11 f/i=    0.007638 THz     0.047988 2PiTHz    0.254761 cm-1     0.031586 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758     0.254717   -0.580133   -0.000000  
      1.902403  0.000000  2.647170     0.254717   -0.580133   -0.000000  
      0.951201  1.647529  2.016687     0.126215   -0.287462   -0.000000  
      1.902403  0.000000  4.659099     0.126215   -0.287462   -0.000000  

  12 f/i=    0.027539 THz     0.173031 2PiTHz    0.918595 cm-1     0.113891 meV
             X         Y         Z           dx          dy          dz
      0.951201  1.647529  0.004758    -0.000000   -0.000000   -0.632979  
      1.902403  0.000000  2.647170    -0.000000   -0.000000   -0.632979  
      0.951201  1.647529  2.016687    -0.000000   -0.000000   -0.315178  
      1.902403  0.000000  4.659099    -0.000000   -0.000000   -0.315178  



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




 MACROSCOPIC STATIC DIELECTRIC TENSOR IONIC CONTRIBUTION
 ------------------------------------------------------
           5.079146    -0.000000    -0.000104
          -0.000000     5.079129    -0.000095
          -0.000104    -0.000095     5.965385
 ------------------------------------------------------


 ELASTIC MODULI IONIC CONTR (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX        -560.4916    248.7400    322.9781     -0.0000     -0.0000      0.0000
 YY         248.7400   -560.4916    322.9781      0.0000      0.0000     -0.0000
 ZZ         322.9781    322.9781   -669.2177      0.0000     -0.0000     -0.0000
 XY          -0.0000      0.0000      0.0000   -404.6158      0.0000     -0.0000
 YZ          -0.0000      0.0000     -0.0000      0.0000   -141.0186     -0.0000
 ZX           0.0000     -0.0000     -0.0000     -0.0000     -0.0000   -137.7239
 --------------------------------------------------------------------------------


 PIEZOELECTRIC TENSOR IONIC CONTR  for field in x, y, z        (C/m^2)
          XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00001     0.00002    -0.00003    -0.00000    -0.00000    -0.78700
  y    -0.00000     0.00003    -0.00003     0.00000    -0.79635    -0.00000
  z    -0.90736    -0.90736     1.88008    -0.00000     0.00000     0.00000


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


 writing wavefunctions
     LOOP+:  cpu time 1620.29: real time 1631.17
    4ORBIT:  cpu time    0.00: real time    0.00

 total amount of memory used by VASP on root node    87032. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      31517. kBytes
   fftplans  :       2392. kBytes
   grid      :       5080. kBytes
   one-center:         62. kBytes
   wavefun   :      17981. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     1621.895
                            User time (sec):     1620.900
                          System time (sec):        0.994
                         Elapsed time (sec):     1633.655
  
                   Maximum memory used (kb):      389308.
                   Average memory used (kb):           0.
  
                          Minor page faults:       419185
                          Major page faults:            4
                 Voluntary context switches:           49
