 vasp.6.4.3 19Mar24 (build May  1 2024 19:35:17) complex                         
 executed on             LinuxGNU date 2025.05.02  11:27:11
 running   16 mpi-ranks, with    1 threads/rank, on    1 nodes
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   1 cores,   16 groups


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


 INCAR:
   SYSTEM = ZnO
   ISTART = 1
   ICHARG = 11
   PREC = Accurate
   ENCUT = 400
   ISMEAR = 0
   SIGMA = 0.03
   IBRION = 2
   EDIFF = 1E-6
   EDIFFG = -0.01
   LWAVE = T
   LCHARG = T
   LORBIT = 11
   EFERMI = MIDGAP
   GGA = PS

 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

 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You enforced a specific xc type in the INCAR file but a different       |
|     type was found in the POTCAR file.                                      |
|     I HOPE YOU KNOW WHAT YOU ARE DOING!                                     |
|                                                                             |
 -----------------------------------------------------------------------------

  PAW_PBE Zn 06Sep2000                  :
 energy of atom  1       EATOM=-1748.8345
 kinetic energy error for atom=    0.0107 (will be added to EATOM!!)
  PAW_PBE O 08Apr2002                   :
 energy of atom  2       EATOM= -432.3788
 kinetic energy error for atom=    0.1156 (will be added to EATOM!!)


 POSCAR: Zinc oxide
  positions in direct lattice
  velocities in cartesian coordinates


 exchange-correlation table for PS
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000



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


 ion  position               nearest neighbor table
   1  0.333  0.667  0.002-   4 1.97   4 1.97   4 1.97   3 1.98
   2  0.667  0.333  0.502-   3 1.97   3 1.97   3 1.97   4 1.98
   3  0.333  0.667  0.381-   2 1.97   2 1.97   2 1.97   1 1.98
   4  0.667  0.333  0.881-   1 1.97   1 1.97   1 1.97   2 1.98

  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2369649994
 C/A-ratio  =     1.6146940758
  
  Lattice vectors:
  
 A1 = (   3.2369649994,  -0.0000000000,  -0.0000000000)
 A2 = (  -1.6184824997,   2.8032939207,   0.0000000000)
 A3 = (  -0.0000000000,   0.0000000000,   5.2267082081)


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.


 Subroutine INISYM returns: Found 12 space group operations
 (whereof  6 operations are pure point group operations),
 and found     1 'primitive' translations


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

                                     Primitive cell                                     

  volume of cell :      47.4280

  direct lattice vectors                    reciprocal lattice vectors
     3.236964999 -0.000000000 -0.000000000     0.308931360  0.178361604  0.000000000
    -1.618482500  2.803293921  0.000000000     0.000000000  0.356723208  0.000000000
    -0.000000000  0.000000000  5.226708208     0.000000000  0.000000000  0.191325010

  length of vectors
     3.236964999  3.236964999  5.226708208     0.356723208  0.356723208  0.191325010

  position of ions in fractional coordinates (direct lattice)
     0.333333343  0.666666687  0.001883135
     0.666666627  0.333333313  0.501883135
     0.333333343  0.666666687  0.380616858
     0.666666627  0.333333313  0.880616858

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4

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



 KPOINTS: K-Path Generated by VASPKIT.            

Interpolating k-points between supplied coordinates.

 Line segments in fractional coordinates (reciprocal lattice):
    0.000000  0.000000  0.000000  ...  0.500000  0.000000  0.000000
    0.500000  0.000000  0.000000  ...  0.333333  0.333333  0.000000
    0.333333  0.333333  0.000000  ...  0.000000  0.000000  0.000000
    0.000000  0.000000  0.000000  ...  0.000000  0.000000  0.500000
    0.000000  0.000000  0.500000  ...  0.500000  0.000000  0.500000
    0.500000  0.000000  0.500000  ...  0.333333  0.333333  0.500000
    0.333333  0.333333  0.500000  ...  0.000000  0.000000  0.500000
    0.500000  0.000000  0.500000  ...  0.500000  0.000000  0.000000
    0.333333  0.333333  0.500000  ...  0.333333  0.333333  0.000000

 Generated    20 points on each line segment, for a total of    180 k-points:

 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      0.005556
  0.026316  0.000000  0.000000      0.005556
  0.052632  0.000000  0.000000      0.005556
  0.078947  0.000000  0.000000      0.005556
  0.105263  0.000000  0.000000      0.005556
  0.131579  0.000000  0.000000      0.005556
  0.157895  0.000000  0.000000      0.005556
  0.184211  0.000000  0.000000      0.005556
  0.210526  0.000000  0.000000      0.005556
  0.236842  0.000000  0.000000      0.005556
  0.263158  0.000000  0.000000      0.005556
  0.289474  0.000000  0.000000      0.005556
  0.315789  0.000000  0.000000      0.005556
  0.342105  0.000000  0.000000      0.005556
  0.368421  0.000000  0.000000      0.005556
  0.394737  0.000000  0.000000      0.005556
  0.421053  0.000000  0.000000      0.005556
  0.447368  0.000000  0.000000      0.005556
  0.473684  0.000000  0.000000      0.005556
  0.500000  0.000000  0.000000      0.005556
  0.500000  0.000000  0.000000      0.005556
  0.491228  0.017544  0.000000      0.005556
  0.482456  0.035088  0.000000      0.005556
  0.473684  0.052632  0.000000      0.005556
  0.464912  0.070175  0.000000      0.005556
  0.456140  0.087719  0.000000      0.005556
  0.447368  0.105263  0.000000      0.005556
  0.438596  0.122807  0.000000      0.005556
  0.429825  0.140351  0.000000      0.005556
  0.421053  0.157895  0.000000      0.005556
  0.412281  0.175439  0.000000      0.005556
  0.403509  0.192982  0.000000      0.005556
  0.394737  0.210526  0.000000      0.005556
  0.385965  0.228070  0.000000      0.005556
  0.377193  0.245614  0.000000      0.005556
  0.368421  0.263158  0.000000      0.005556
  0.359649  0.280702  0.000000      0.005556
  0.350877  0.298246  0.000000      0.005556
  0.342105  0.315789  0.000000      0.005556
  0.333333  0.333333  0.000000      0.005556
  0.333333  0.333333  0.000000      0.005556
  0.315789  0.315789  0.000000      0.005556
  0.298246  0.298246  0.000000      0.005556
  0.280702  0.280702  0.000000      0.005556
  0.263158  0.263158  0.000000      0.005556
  0.245614  0.245614  0.000000      0.005556
  0.228070  0.228070  0.000000      0.005556
  0.210526  0.210526  0.000000      0.005556
  0.192982  0.192982  0.000000      0.005556
  0.175439  0.175439  0.000000      0.005556
  0.157895  0.157895  0.000000      0.005556
  0.140351  0.140351  0.000000      0.005556
  0.122807  0.122807  0.000000      0.005556
  0.105263  0.105263  0.000000      0.005556
  0.087719  0.087719  0.000000      0.005556
  0.070175  0.070175  0.000000      0.005556
  0.052632  0.052632  0.000000      0.005556
  0.035088  0.035088  0.000000      0.005556
  0.017544  0.017544  0.000000      0.005556
 -0.000000 -0.000000  0.000000      0.005556
  0.000000  0.000000  0.000000      0.005556
  0.000000  0.000000  0.026316      0.005556
  0.000000  0.000000  0.052632      0.005556
  0.000000  0.000000  0.078947      0.005556
  0.000000  0.000000  0.105263      0.005556
  0.000000  0.000000  0.131579      0.005556
  0.000000  0.000000  0.157895      0.005556
  0.000000  0.000000  0.184211      0.005556
  0.000000  0.000000  0.210526      0.005556
  0.000000  0.000000  0.236842      0.005556
  0.000000  0.000000  0.263158      0.005556
  0.000000  0.000000  0.289474      0.005556
  0.000000  0.000000  0.315789      0.005556
  0.000000  0.000000  0.342105      0.005556
  0.000000  0.000000  0.368421      0.005556
  0.000000  0.000000  0.394737      0.005556
  0.000000  0.000000  0.421053      0.005556
  0.000000  0.000000  0.447368      0.005556
  0.000000  0.000000  0.473684      0.005556
  0.000000  0.000000  0.500000      0.005556
  0.000000  0.000000  0.500000      0.005556
  0.026316  0.000000  0.500000      0.005556
  0.052632  0.000000  0.500000      0.005556
  0.078947  0.000000  0.500000      0.005556
  0.105263  0.000000  0.500000      0.005556
  0.131579  0.000000  0.500000      0.005556
  0.157895  0.000000  0.500000      0.005556
  0.184211  0.000000  0.500000      0.005556
  0.210526  0.000000  0.500000      0.005556
  0.236842  0.000000  0.500000      0.005556
  0.263158  0.000000  0.500000      0.005556
  0.289474  0.000000  0.500000      0.005556
  0.315789  0.000000  0.500000      0.005556
  0.342105  0.000000  0.500000      0.005556
  0.368421  0.000000  0.500000      0.005556
  0.394737  0.000000  0.500000      0.005556
  0.421053  0.000000  0.500000      0.005556
  0.447368  0.000000  0.500000      0.005556
  0.473684  0.000000  0.500000      0.005556
  0.500000  0.000000  0.500000      0.005556
  0.500000  0.000000  0.500000      0.005556
  0.491228  0.017544  0.500000      0.005556
  0.482456  0.035088  0.500000      0.005556
  0.473684  0.052632  0.500000      0.005556
  0.464912  0.070175  0.500000      0.005556
  0.456140  0.087719  0.500000      0.005556
  0.447368  0.105263  0.500000      0.005556
  0.438596  0.122807  0.500000      0.005556
  0.429825  0.140351  0.500000      0.005556
  0.421053  0.157895  0.500000      0.005556
  0.412281  0.175439  0.500000      0.005556
  0.403509  0.192982  0.500000      0.005556
  0.394737  0.210526  0.500000      0.005556
  0.385965  0.228070  0.500000      0.005556
  0.377193  0.245614  0.500000      0.005556
  0.368421  0.263158  0.500000      0.005556
  0.359649  0.280702  0.500000      0.005556
  0.350877  0.298246  0.500000      0.005556
  0.342105  0.315789  0.500000      0.005556
  0.333333  0.333333  0.500000      0.005556
  0.333333  0.333333  0.500000      0.005556
  0.315789  0.315789  0.500000      0.005556
  0.298246  0.298246  0.500000      0.005556
  0.280702  0.280702  0.500000      0.005556
  0.263158  0.263158  0.500000      0.005556
  0.245614  0.245614  0.500000      0.005556
  0.228070  0.228070  0.500000      0.005556
  0.210526  0.210526  0.500000      0.005556
  0.192982  0.192982  0.500000      0.005556
  0.175439  0.175439  0.500000      0.005556
  0.157895  0.157895  0.500000      0.005556
  0.140351  0.140351  0.500000      0.005556
  0.122807  0.122807  0.500000      0.005556
  0.105263  0.105263  0.500000      0.005556
  0.087719  0.087719  0.500000      0.005556
  0.070175  0.070175  0.500000      0.005556
  0.052632  0.052632  0.500000      0.005556
  0.035088  0.035088  0.500000      0.005556
  0.017544  0.017544  0.500000      0.005556
 -0.000000 -0.000000  0.500000      0.005556
  0.500000  0.000000  0.500000      0.005556
  0.500000  0.000000  0.473684      0.005556
  0.500000  0.000000  0.447368      0.005556
  0.500000  0.000000  0.421053      0.005556
  0.500000  0.000000  0.394737      0.005556
  0.500000  0.000000  0.368421      0.005556
  0.500000  0.000000  0.342105      0.005556
  0.500000  0.000000  0.315789      0.005556
  0.500000  0.000000  0.289474      0.005556
  0.500000  0.000000  0.263158      0.005556
  0.500000  0.000000  0.236842      0.005556
  0.500000  0.000000  0.210526      0.005556
  0.500000  0.000000  0.184211      0.005556
  0.500000  0.000000  0.157895      0.005556
  0.500000  0.000000  0.131579      0.005556
  0.500000  0.000000  0.105263      0.005556
  0.500000  0.000000  0.078947      0.005556
  0.500000  0.000000  0.052632      0.005556
  0.500000  0.000000  0.026316      0.005556
  0.500000  0.000000  0.000000      0.005556
  0.333333  0.333333  0.500000      0.005556
  0.333333  0.333333  0.473684      0.005556
  0.333333  0.333333  0.447368      0.005556
  0.333333  0.333333  0.421053      0.005556
  0.333333  0.333333  0.394737      0.005556
  0.333333  0.333333  0.368421      0.005556
  0.333333  0.333333  0.342105      0.005556
  0.333333  0.333333  0.315789      0.005556
  0.333333  0.333333  0.289474      0.005556
  0.333333  0.333333  0.263158      0.005556
  0.333333  0.333333  0.236842      0.005556
  0.333333  0.333333  0.210526      0.005556
  0.333333  0.333333  0.184211      0.005556
  0.333333  0.333333  0.157895      0.005556
  0.333333  0.333333  0.131579      0.005556
  0.333333  0.333333  0.105263      0.005556
  0.333333  0.333333  0.078947      0.005556
  0.333333  0.333333  0.052632      0.005556
  0.333333  0.333333  0.026316      0.005556
  0.333333  0.333333  0.000000      0.005556

 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      0.005556
  0.008130  0.004694  0.000000      0.005556
  0.016260  0.009387  0.000000      0.005556
  0.024389  0.014081  0.000000      0.005556
  0.032519  0.018775  0.000000      0.005556
  0.040649  0.023469  0.000000      0.005556
  0.048779  0.028162  0.000000      0.005556
  0.056908  0.032856  0.000000      0.005556
  0.065038  0.037550  0.000000      0.005556
  0.073168  0.042244  0.000000      0.005556
  0.081298  0.046937  0.000000      0.005556
  0.089427  0.051631  0.000000      0.005556
  0.097557  0.056325  0.000000      0.005556
  0.105687  0.061018  0.000000      0.005556
  0.113817  0.065712  0.000000      0.005556
  0.121947  0.070406  0.000000      0.005556
  0.130076  0.075100  0.000000      0.005556
  0.138206  0.079793  0.000000      0.005556
  0.146336  0.084487  0.000000      0.005556
  0.154466  0.089181  0.000000      0.005556
  0.154466  0.089181  0.000000      0.005556
  0.151756  0.093875  0.000000      0.005556
  0.149046  0.098568  0.000000      0.005556
  0.146336  0.103262  0.000000      0.005556
  0.143626  0.107956  0.000000      0.005556
  0.140916  0.112649  0.000000      0.005556
  0.138206  0.117343  0.000000      0.005556
  0.135496  0.122037  0.000000      0.005556
  0.132786  0.126731  0.000000      0.005556
  0.130076  0.131424  0.000000      0.005556
  0.127366  0.136118  0.000000      0.005556
  0.124657  0.140812  0.000000      0.005556
  0.121947  0.145506  0.000000      0.005556
  0.119237  0.150199  0.000000      0.005556
  0.116527  0.154893  0.000000      0.005556
  0.113817  0.159587  0.000000      0.005556
  0.111107  0.164280  0.000000      0.005556
  0.108397  0.168974  0.000000      0.005556
  0.105687  0.173668  0.000000      0.005556
  0.102977  0.178362  0.000000      0.005556
  0.102977  0.178362  0.000000      0.005556
  0.097557  0.168974  0.000000      0.005556
  0.092137  0.159587  0.000000      0.005556
  0.086718  0.150199  0.000000      0.005556
  0.081298  0.140812  0.000000      0.005556
  0.075878  0.131424  0.000000      0.005556
  0.070458  0.122037  0.000000      0.005556
  0.065038  0.112649  0.000000      0.005556
  0.059618  0.103262  0.000000      0.005556
  0.054198  0.093875  0.000000      0.005556
  0.048779  0.084487  0.000000      0.005556
  0.043359  0.075100  0.000000      0.005556
  0.037939  0.065712  0.000000      0.005556
  0.032519  0.056325  0.000000      0.005556
  0.027099  0.046937  0.000000      0.005556
  0.021679  0.037550  0.000000      0.005556
  0.016260  0.028162  0.000000      0.005556
  0.010840  0.018775  0.000000      0.005556
  0.005420  0.009387  0.000000      0.005556
 -0.000000 -0.000000  0.000000      0.005556
  0.000000  0.000000  0.000000      0.005556
  0.000000  0.000000  0.005035      0.005556
  0.000000  0.000000  0.010070      0.005556
  0.000000  0.000000  0.015105      0.005556
  0.000000  0.000000  0.020139      0.005556
  0.000000  0.000000  0.025174      0.005556
  0.000000  0.000000  0.030209      0.005556
  0.000000  0.000000  0.035244      0.005556
  0.000000  0.000000  0.040279      0.005556
  0.000000  0.000000  0.045314      0.005556
  0.000000  0.000000  0.050349      0.005556
  0.000000  0.000000  0.055384      0.005556
  0.000000  0.000000  0.060418      0.005556
  0.000000  0.000000  0.065453      0.005556
  0.000000  0.000000  0.070488      0.005556
  0.000000  0.000000  0.075523      0.005556
  0.000000  0.000000  0.080558      0.005556
  0.000000  0.000000  0.085593      0.005556
  0.000000  0.000000  0.090628      0.005556
  0.000000  0.000000  0.095663      0.005556
  0.000000  0.000000  0.095663      0.005556
  0.008130  0.004694  0.095663      0.005556
  0.016260  0.009387  0.095663      0.005556
  0.024389  0.014081  0.095663      0.005556
  0.032519  0.018775  0.095663      0.005556
  0.040649  0.023469  0.095663      0.005556
  0.048779  0.028162  0.095663      0.005556
  0.056908  0.032856  0.095663      0.005556
  0.065038  0.037550  0.095663      0.005556
  0.073168  0.042244  0.095663      0.005556
  0.081298  0.046937  0.095663      0.005556
  0.089427  0.051631  0.095663      0.005556
  0.097557  0.056325  0.095663      0.005556
  0.105687  0.061018  0.095663      0.005556
  0.113817  0.065712  0.095663      0.005556
  0.121947  0.070406  0.095663      0.005556
  0.130076  0.075100  0.095663      0.005556
  0.138206  0.079793  0.095663      0.005556
  0.146336  0.084487  0.095663      0.005556
  0.154466  0.089181  0.095663      0.005556
  0.154466  0.089181  0.095663      0.005556
  0.151756  0.093875  0.095663      0.005556
  0.149046  0.098568  0.095663      0.005556
  0.146336  0.103262  0.095663      0.005556
  0.143626  0.107956  0.095663      0.005556
  0.140916  0.112649  0.095663      0.005556
  0.138206  0.117343  0.095663      0.005556
  0.135496  0.122037  0.095663      0.005556
  0.132786  0.126731  0.095663      0.005556
  0.130076  0.131424  0.095663      0.005556
  0.127366  0.136118  0.095663      0.005556
  0.124657  0.140812  0.095663      0.005556
  0.121947  0.145506  0.095663      0.005556
  0.119237  0.150199  0.095663      0.005556
  0.116527  0.154893  0.095663      0.005556
  0.113817  0.159587  0.095663      0.005556
  0.111107  0.164280  0.095663      0.005556
  0.108397  0.168974  0.095663      0.005556
  0.105687  0.173668  0.095663      0.005556
  0.102977  0.178362  0.095663      0.005556
  0.102977  0.178362  0.095663      0.005556
  0.097557  0.168974  0.095663      0.005556
  0.092137  0.159587  0.095663      0.005556
  0.086718  0.150199  0.095663      0.005556
  0.081298  0.140812  0.095663      0.005556
  0.075878  0.131424  0.095663      0.005556
  0.070458  0.122037  0.095663      0.005556
  0.065038  0.112649  0.095663      0.005556
  0.059618  0.103262  0.095663      0.005556
  0.054198  0.093875  0.095663      0.005556
  0.048779  0.084487  0.095663      0.005556
  0.043359  0.075100  0.095663      0.005556
  0.037939  0.065712  0.095663      0.005556
  0.032519  0.056325  0.095663      0.005556
  0.027099  0.046937  0.095663      0.005556
  0.021679  0.037550  0.095663      0.005556
  0.016260  0.028162  0.095663      0.005556
  0.010840  0.018775  0.095663      0.005556
  0.005420  0.009387  0.095663      0.005556
 -0.000000 -0.000000  0.095663      0.005556
  0.154466  0.089181  0.095663      0.005556
  0.154466  0.089181  0.090628      0.005556
  0.154466  0.089181  0.085593      0.005556
  0.154466  0.089181  0.080558      0.005556
  0.154466  0.089181  0.075523      0.005556
  0.154466  0.089181  0.070488      0.005556
  0.154466  0.089181  0.065453      0.005556
  0.154466  0.089181  0.060418      0.005556
  0.154466  0.089181  0.055384      0.005556
  0.154466  0.089181  0.050349      0.005556
  0.154466  0.089181  0.045314      0.005556
  0.154466  0.089181  0.040279      0.005556
  0.154466  0.089181  0.035244      0.005556
  0.154466  0.089181  0.030209      0.005556
  0.154466  0.089181  0.025174      0.005556
  0.154466  0.089181  0.020139      0.005556
  0.154466  0.089181  0.015105      0.005556
  0.154466  0.089181  0.010070      0.005556
  0.154466  0.089181  0.005035      0.005556
  0.154466  0.089181  0.000000      0.005556
  0.102977  0.178362  0.095663      0.005556
  0.102977  0.178362  0.090628      0.005556
  0.102977  0.178362  0.085593      0.005556
  0.102977  0.178362  0.080558      0.005556
  0.102977  0.178362  0.075523      0.005556
  0.102977  0.178362  0.070488      0.005556
  0.102977  0.178362  0.065453      0.005556
  0.102977  0.178362  0.060418      0.005556
  0.102977  0.178362  0.055384      0.005556
  0.102977  0.178362  0.050349      0.005556
  0.102977  0.178362  0.045314      0.005556
  0.102977  0.178362  0.040279      0.005556
  0.102977  0.178362  0.035244      0.005556
  0.102977  0.178362  0.030209      0.005556
  0.102977  0.178362  0.025174      0.005556
  0.102977  0.178362  0.020139      0.005556
  0.102977  0.178362  0.015105      0.005556
  0.102977  0.178362  0.010070      0.005556
  0.102977  0.178362  0.005035      0.005556
  0.102977  0.178362  0.000000      0.005556



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




 Dimension of arrays:
   k-points           NKPTS =    180   k-points in BZ     NKDIM =    180   number of bands    NBANDS=     32
   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 =  20736
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  13230
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   36
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=   72
   support grid    NGXF=    48 NGYF=   48 NGZF=   72
   ions per type =               2   2
   NGX,Y,Z   is equivalent  to a cutoff of  12.33, 12.33, 11.45 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  24.65, 24.65, 22.90 a.u.

 SYSTEM =  ZnO                                     
 POSCAR =  Zinc oxide                              

 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 =     11    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
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   5.28  5.28  8.52*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  605.4 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000
 Ionic relaxation
   EDIFFG = -.1E-01   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.239E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  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;   METHOD = MIDGAP      
   ISMEAR =     0;   SIGMA  =   0.03  broadening in eV -4-tet -1-fermi 0-gaus

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

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.78E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      11.86        80.02
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.493358  2.822038 30.342613  2.230119
  Thomas-Fermi vector in A             =   2.605769

 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   WRT_POTENTIAL= false  ! write potential to hdf5 file
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO      =      F    monopole corrections only (constant potential shift)
   LDIPOL     =      F    correct potential (dipole corrections)
   IDIPOL     =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON    =  1.0000000 bulk dielectric constant
   LVACPOTAV  =      F  vacuum potentials using an averaging scheme for the charge density
   VACPOTFLAT =  0.1000000 required flatness to determine vacuum potential
 Exchange correlation treatment:
   GGA     = PS    functional components
   XC_C    = 1    coefficients multiplying the functional components
   LIBXC   =     F    Libxc                    
   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

 Parameters of functionals:
   PS:
     No parameter

 Van der Waals corrections
   IVDW    =     0    specifies the selected vdW correction

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time

  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field
   LBONE     =     F  B-component reconstruction in AE one-centre
   LVGVCALC  =     T  calculate vGv susceptibility
   LVGVAPPL  =     F  apply vGv susceptibility instead of pGv for G=0

 Random number generation:
   RANDOM_GENERATOR = DEFAULT
   PCG_SEED         = not used


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


 Static calculation
 charge density and potential remain constant 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
 no mixing
 using additional bands           14
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces   (improved forces if not selfconsistent)
 use gradient corrections 
 WARNING: stress and forces are not correct
  (second derivative of E(xc) not defined)
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.03


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


  energy-cutoff  :      400.00
  volume of cell :       47.43
      direct lattice vectors                 reciprocal lattice vectors
     3.236964999 -0.000000000 -0.000000000     0.308931360  0.178361604  0.000000000
    -1.618482500  2.803293921  0.000000000     0.000000000  0.356723208  0.000000000
    -0.000000000  0.000000000  5.226708208     0.000000000  0.000000000  0.191325010

  length of vectors
     3.236964999  3.236964999  5.226708208     0.356723208  0.356723208  0.191325010



 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :       47.43
      direct lattice vectors                 reciprocal lattice vectors
     3.236964999 -0.000000000 -0.000000000     0.308931360  0.178361604  0.000000000
    -1.618482500  2.803293921  0.000000000     0.000000000  0.356723208  0.000000000
    -0.000000000  0.000000000  5.226708208     0.000000000  0.000000000  0.191325010

  length of vectors


 k-points in units of 2pi/SCALE and weight: K-Path Generated by VASPKIT.            
   0.00000000  0.00000000  0.00000000       0.006
   0.00812977  0.00469373  0.00000000       0.006
   0.01625955  0.00938745  0.00000000       0.006
   0.02438932  0.01408118  0.00000000       0.006
   0.03251909  0.01877491  0.00000000       0.006
   0.04064886  0.02346863  0.00000000       0.006
   0.04877864  0.02816236  0.00000000       0.006
   0.05690841  0.03285608  0.00000000       0.006
   0.06503818  0.03754981  0.00000000       0.006
   0.07316795  0.04224354  0.00000000       0.006
   0.08129773  0.04693726  0.00000000       0.006
   0.08942750  0.05163099  0.00000000       0.006
   0.09755727  0.05632472  0.00000000       0.006
   0.10568704  0.06101844  0.00000000       0.006
   0.11381682  0.06571217  0.00000000       0.006
   0.12194659  0.07040590  0.00000000       0.006
   0.13007636  0.07509962  0.00000000       0.006
   0.13820613  0.07979335  0.00000000       0.006
   0.14633591  0.08448708  0.00000000       0.006
   0.15446568  0.08918080  0.00000000       0.006
   0.15446568  0.08918080  0.00000000       0.006
   0.15175576  0.09387453  0.00000000       0.006
   0.14904583  0.09856825  0.00000000       0.006
   0.14633591  0.10326198  0.00000000       0.006
   0.14362598  0.10795571  0.00000000       0.006
   0.14091606  0.11264943  0.00000000       0.006
   0.13820613  0.11734316  0.00000000       0.006
   0.13549621  0.12203689  0.00000000       0.006
   0.13278629  0.12673061  0.00000000       0.006
   0.13007636  0.13142434  0.00000000       0.006
   0.12736644  0.13611807  0.00000000       0.006
   0.12465651  0.14081179  0.00000000       0.006
   0.12194659  0.14550552  0.00000000       0.006
   0.11923667  0.15019925  0.00000000       0.006
   0.11652674  0.15489297  0.00000000       0.006
   0.11381682  0.15958670  0.00000000       0.006
   0.11110689  0.16428042  0.00000000       0.006
   0.10839697  0.16897415  0.00000000       0.006
   0.10568704  0.17366788  0.00000000       0.006
   0.10297712  0.17836160  0.00000000       0.006
   0.10297712  0.17836160  0.00000000       0.006
   0.09755727  0.16897415  0.00000000       0.006
   0.09213742  0.15958670  0.00000000       0.006
   0.08671757  0.15019925  0.00000000       0.006
   0.08129773  0.14081179  0.00000000       0.006
   0.07587788  0.13142434  0.00000000       0.006
   0.07045803  0.12203689  0.00000000       0.006
   0.06503818  0.11264943  0.00000000       0.006
   0.05961833  0.10326198  0.00000000       0.006
   0.05419848  0.09387453  0.00000000       0.006
   0.04877864  0.08448708  0.00000000       0.006
   0.04335879  0.07509962  0.00000000       0.006
   0.03793894  0.06571217  0.00000000       0.006
   0.03251909  0.05632472  0.00000000       0.006
   0.02709924  0.04693726  0.00000000       0.006
   0.02167939  0.03754981  0.00000000       0.006
   0.01625955  0.02816236  0.00000000       0.006
   0.01083970  0.01877491  0.00000000       0.006
   0.00541985  0.00938745  0.00000000       0.006
  -0.00000000 -0.00000000  0.00000000       0.006
   0.00000000  0.00000000  0.00000000       0.006
   0.00000000  0.00000000  0.00503487       0.006
   0.00000000  0.00000000  0.01006974       0.006
   0.00000000  0.00000000  0.01510461       0.006
   0.00000000  0.00000000  0.02013947       0.006
   0.00000000  0.00000000  0.02517434       0.006
   0.00000000  0.00000000  0.03020921       0.006
   0.00000000  0.00000000  0.03524408       0.006
   0.00000000  0.00000000  0.04027895       0.006
   0.00000000  0.00000000  0.04531382       0.006
   0.00000000  0.00000000  0.05034869       0.006
   0.00000000  0.00000000  0.05538356       0.006
   0.00000000  0.00000000  0.06041842       0.006
   0.00000000  0.00000000  0.06545329       0.006
   0.00000000  0.00000000  0.07048816       0.006
   0.00000000  0.00000000  0.07552303       0.006
   0.00000000  0.00000000  0.08055790       0.006
   0.00000000  0.00000000  0.08559277       0.006
   0.00000000  0.00000000  0.09062764       0.006
   0.00000000  0.00000000  0.09566250       0.006
   0.00000000  0.00000000  0.09566250       0.006
   0.00812977  0.00469373  0.09566250       0.006
   0.01625955  0.00938745  0.09566250       0.006
   0.02438932  0.01408118  0.09566250       0.006
   0.03251909  0.01877491  0.09566250       0.006
   0.04064886  0.02346863  0.09566250       0.006
   0.04877864  0.02816236  0.09566250       0.006
   0.05690841  0.03285608  0.09566250       0.006
   0.06503818  0.03754981  0.09566250       0.006
   0.07316795  0.04224354  0.09566250       0.006
   0.08129773  0.04693726  0.09566250       0.006
   0.08942750  0.05163099  0.09566250       0.006
   0.09755727  0.05632472  0.09566250       0.006
   0.10568704  0.06101844  0.09566250       0.006
   0.11381682  0.06571217  0.09566250       0.006
   0.12194659  0.07040590  0.09566250       0.006
   0.13007636  0.07509962  0.09566250       0.006
   0.13820613  0.07979335  0.09566250       0.006
   0.14633591  0.08448708  0.09566250       0.006
   0.15446568  0.08918080  0.09566250       0.006
   0.15446568  0.08918080  0.09566250       0.006
   0.15175576  0.09387453  0.09566250       0.006
   0.14904583  0.09856825  0.09566250       0.006
   0.14633591  0.10326198  0.09566250       0.006
   0.14362598  0.10795571  0.09566250       0.006
   0.14091606  0.11264943  0.09566250       0.006
   0.13820613  0.11734316  0.09566250       0.006
   0.13549621  0.12203689  0.09566250       0.006
   0.13278629  0.12673061  0.09566250       0.006
   0.13007636  0.13142434  0.09566250       0.006
   0.12736644  0.13611807  0.09566250       0.006
   0.12465651  0.14081179  0.09566250       0.006
   0.12194659  0.14550552  0.09566250       0.006
   0.11923667  0.15019925  0.09566250       0.006
   0.11652674  0.15489297  0.09566250       0.006
   0.11381682  0.15958670  0.09566250       0.006
   0.11110689  0.16428042  0.09566250       0.006
   0.10839697  0.16897415  0.09566250       0.006
   0.10568704  0.17366788  0.09566250       0.006
   0.10297712  0.17836160  0.09566250       0.006
   0.10297712  0.17836160  0.09566250       0.006
   0.09755727  0.16897415  0.09566250       0.006
   0.09213742  0.15958670  0.09566250       0.006
   0.08671757  0.15019925  0.09566250       0.006
   0.08129773  0.14081179  0.09566250       0.006
   0.07587788  0.13142434  0.09566250       0.006
   0.07045803  0.12203689  0.09566250       0.006
   0.06503818  0.11264943  0.09566250       0.006
   0.05961833  0.10326198  0.09566250       0.006
   0.05419848  0.09387453  0.09566250       0.006
   0.04877864  0.08448708  0.09566250       0.006
   0.04335879  0.07509962  0.09566250       0.006
   0.03793894  0.06571217  0.09566250       0.006
   0.03251909  0.05632472  0.09566250       0.006
   0.02709924  0.04693726  0.09566250       0.006
   0.02167939  0.03754981  0.09566250       0.006
   0.01625955  0.02816236  0.09566250       0.006
   0.01083970  0.01877491  0.09566250       0.006
   0.00541985  0.00938745  0.09566250       0.006
  -0.00000000 -0.00000000  0.09566250       0.006
   0.15446568  0.08918080  0.09566250       0.006
   0.15446568  0.08918080  0.09062764       0.006
   0.15446568  0.08918080  0.08559277       0.006
   0.15446568  0.08918080  0.08055790       0.006
   0.15446568  0.08918080  0.07552303       0.006
   0.15446568  0.08918080  0.07048816       0.006
   0.15446568  0.08918080  0.06545329       0.006
   0.15446568  0.08918080  0.06041842       0.006
   0.15446568  0.08918080  0.05538356       0.006
   0.15446568  0.08918080  0.05034869       0.006
   0.15446568  0.08918080  0.04531382       0.006
   0.15446568  0.08918080  0.04027895       0.006
   0.15446568  0.08918080  0.03524408       0.006
   0.15446568  0.08918080  0.03020921       0.006
   0.15446568  0.08918080  0.02517434       0.006
   0.15446568  0.08918080  0.02013947       0.006
   0.15446568  0.08918080  0.01510461       0.006
   0.15446568  0.08918080  0.01006974       0.006
   0.15446568  0.08918080  0.00503487       0.006
   0.15446568  0.08918080  0.00000000       0.006
   0.10297712  0.17836160  0.09566250       0.006
   0.10297712  0.17836160  0.09062764       0.006
   0.10297712  0.17836160  0.08559277       0.006
   0.10297712  0.17836160  0.08055790       0.006
   0.10297712  0.17836160  0.07552303       0.006
   0.10297712  0.17836160  0.07048816       0.006
   0.10297712  0.17836160  0.06545329       0.006
   0.10297712  0.17836160  0.06041842       0.006
   0.10297712  0.17836160  0.05538356       0.006
   0.10297712  0.17836160  0.05034869       0.006
   0.10297712  0.17836160  0.04531382       0.006
   0.10297712  0.17836160  0.04027895       0.006
   0.10297712  0.17836160  0.03524408       0.006
   0.10297712  0.17836160  0.03020921       0.006
   0.10297712  0.17836160  0.02517434       0.006
   0.10297712  0.17836160  0.02013947       0.006
   0.10297712  0.17836160  0.01510461       0.006
   0.10297712  0.17836160  0.01006974       0.006
   0.10297712  0.17836160  0.00503487       0.006
   0.10297712  0.17836160  0.00000000       0.006

 k-points in reciprocal lattice and weights: K-Path Generated by VASPKIT.            
   0.00000000  0.00000000  0.00000000       0.006
   0.02631579  0.00000000  0.00000000       0.006
   0.05263158  0.00000000  0.00000000       0.006
   0.07894737  0.00000000  0.00000000       0.006
   0.10526316  0.00000000  0.00000000       0.006
   0.13157895  0.00000000  0.00000000       0.006
   0.15789474  0.00000000  0.00000000       0.006
   0.18421053  0.00000000  0.00000000       0.006
   0.21052632  0.00000000  0.00000000       0.006
   0.23684211  0.00000000  0.00000000       0.006
   0.26315789  0.00000000  0.00000000       0.006
   0.28947368  0.00000000  0.00000000       0.006
   0.31578947  0.00000000  0.00000000       0.006
   0.34210526  0.00000000  0.00000000       0.006
   0.36842105  0.00000000  0.00000000       0.006
   0.39473684  0.00000000  0.00000000       0.006
   0.42105263  0.00000000  0.00000000       0.006
   0.44736842  0.00000000  0.00000000       0.006
   0.47368421  0.00000000  0.00000000       0.006
   0.50000000  0.00000000  0.00000000       0.006
   0.50000000  0.00000000  0.00000000       0.006
   0.49122807  0.01754386  0.00000000       0.006
   0.48245614  0.03508772  0.00000000       0.006
   0.47368421  0.05263158  0.00000000       0.006
   0.46491228  0.07017544  0.00000000       0.006
   0.45614035  0.08771930  0.00000000       0.006
   0.44736842  0.10526316  0.00000000       0.006
   0.43859649  0.12280702  0.00000000       0.006
   0.42982456  0.14035088  0.00000000       0.006
   0.42105263  0.15789474  0.00000000       0.006
   0.41228070  0.17543860  0.00000000       0.006
   0.40350877  0.19298246  0.00000000       0.006
   0.39473684  0.21052632  0.00000000       0.006
   0.38596491  0.22807018  0.00000000       0.006
   0.37719298  0.24561404  0.00000000       0.006
   0.36842105  0.26315789  0.00000000       0.006
   0.35964912  0.28070175  0.00000000       0.006
   0.35087719  0.29824561  0.00000000       0.006
   0.34210526  0.31578947  0.00000000       0.006
   0.33333333  0.33333333  0.00000000       0.006
   0.33333333  0.33333333  0.00000000       0.006
   0.31578947  0.31578947  0.00000000       0.006
   0.29824561  0.29824561  0.00000000       0.006
   0.28070175  0.28070175  0.00000000       0.006
   0.26315789  0.26315789  0.00000000       0.006
   0.24561404  0.24561404  0.00000000       0.006
   0.22807018  0.22807018  0.00000000       0.006
   0.21052632  0.21052632  0.00000000       0.006
   0.19298246  0.19298246  0.00000000       0.006
   0.17543860  0.17543860  0.00000000       0.006
   0.15789474  0.15789474  0.00000000       0.006
   0.14035088  0.14035088  0.00000000       0.006
   0.12280702  0.12280702  0.00000000       0.006
   0.10526316  0.10526316  0.00000000       0.006
   0.08771930  0.08771930  0.00000000       0.006
   0.07017544  0.07017544  0.00000000       0.006
   0.05263158  0.05263158  0.00000000       0.006
   0.03508772  0.03508772  0.00000000       0.006
   0.01754386  0.01754386  0.00000000       0.006
  -0.00000000 -0.00000000  0.00000000       0.006
   0.00000000  0.00000000  0.00000000       0.006
   0.00000000  0.00000000  0.02631579       0.006
   0.00000000  0.00000000  0.05263158       0.006
   0.00000000  0.00000000  0.07894737       0.006
   0.00000000  0.00000000  0.10526316       0.006
   0.00000000  0.00000000  0.13157895       0.006
   0.00000000  0.00000000  0.15789474       0.006
   0.00000000  0.00000000  0.18421053       0.006
   0.00000000  0.00000000  0.21052632       0.006
   0.00000000  0.00000000  0.23684211       0.006
   0.00000000  0.00000000  0.26315789       0.006
   0.00000000  0.00000000  0.28947368       0.006
   0.00000000  0.00000000  0.31578947       0.006
   0.00000000  0.00000000  0.34210526       0.006
   0.00000000  0.00000000  0.36842105       0.006
   0.00000000  0.00000000  0.39473684       0.006
   0.00000000  0.00000000  0.42105263       0.006
   0.00000000  0.00000000  0.44736842       0.006
   0.00000000  0.00000000  0.47368421       0.006
   0.00000000  0.00000000  0.50000000       0.006
   0.00000000  0.00000000  0.50000000       0.006
   0.02631579  0.00000000  0.50000000       0.006
   0.05263158  0.00000000  0.50000000       0.006
   0.07894737  0.00000000  0.50000000       0.006
   0.10526316  0.00000000  0.50000000       0.006
   0.13157895  0.00000000  0.50000000       0.006
   0.15789474  0.00000000  0.50000000       0.006
   0.18421053  0.00000000  0.50000000       0.006
   0.21052632  0.00000000  0.50000000       0.006
   0.23684211  0.00000000  0.50000000       0.006
   0.26315789  0.00000000  0.50000000       0.006
   0.28947368  0.00000000  0.50000000       0.006
   0.31578947  0.00000000  0.50000000       0.006
   0.34210526  0.00000000  0.50000000       0.006
   0.36842105  0.00000000  0.50000000       0.006
   0.39473684  0.00000000  0.50000000       0.006
   0.42105263  0.00000000  0.50000000       0.006
   0.44736842  0.00000000  0.50000000       0.006
   0.47368421  0.00000000  0.50000000       0.006
   0.50000000  0.00000000  0.50000000       0.006
   0.50000000  0.00000000  0.50000000       0.006
   0.49122807  0.01754386  0.50000000       0.006
   0.48245614  0.03508772  0.50000000       0.006
   0.47368421  0.05263158  0.50000000       0.006
   0.46491228  0.07017544  0.50000000       0.006
   0.45614035  0.08771930  0.50000000       0.006
   0.44736842  0.10526316  0.50000000       0.006
   0.43859649  0.12280702  0.50000000       0.006
   0.42982456  0.14035088  0.50000000       0.006
   0.42105263  0.15789474  0.50000000       0.006
   0.41228070  0.17543860  0.50000000       0.006
   0.40350877  0.19298246  0.50000000       0.006
   0.39473684  0.21052632  0.50000000       0.006
   0.38596491  0.22807018  0.50000000       0.006
   0.37719298  0.24561404  0.50000000       0.006
   0.36842105  0.26315789  0.50000000       0.006
   0.35964912  0.28070175  0.50000000       0.006
   0.35087719  0.29824561  0.50000000       0.006
   0.34210526  0.31578947  0.50000000       0.006
   0.33333333  0.33333333  0.50000000       0.006
   0.33333333  0.33333333  0.50000000       0.006
   0.31578947  0.31578947  0.50000000       0.006
   0.29824561  0.29824561  0.50000000       0.006
   0.28070175  0.28070175  0.50000000       0.006
   0.26315789  0.26315789  0.50000000       0.006
   0.24561404  0.24561404  0.50000000       0.006
   0.22807018  0.22807018  0.50000000       0.006
   0.21052632  0.21052632  0.50000000       0.006
   0.19298246  0.19298246  0.50000000       0.006
   0.17543860  0.17543860  0.50000000       0.006
   0.15789474  0.15789474  0.50000000       0.006
   0.14035088  0.14035088  0.50000000       0.006
   0.12280702  0.12280702  0.50000000       0.006
   0.10526316  0.10526316  0.50000000       0.006
   0.08771930  0.08771930  0.50000000       0.006
   0.07017544  0.07017544  0.50000000       0.006
   0.05263158  0.05263158  0.50000000       0.006
   0.03508772  0.03508772  0.50000000       0.006
   0.01754386  0.01754386  0.50000000       0.006
  -0.00000000 -0.00000000  0.50000000       0.006
   0.50000000  0.00000000  0.50000000       0.006
   0.50000000  0.00000000  0.47368421       0.006
   0.50000000  0.00000000  0.44736842       0.006
   0.50000000  0.00000000  0.42105263       0.006
   0.50000000  0.00000000  0.39473684       0.006
   0.50000000  0.00000000  0.36842105       0.006
   0.50000000  0.00000000  0.34210526       0.006
   0.50000000  0.00000000  0.31578947       0.006
   0.50000000  0.00000000  0.28947368       0.006
   0.50000000  0.00000000  0.26315789       0.006
   0.50000000  0.00000000  0.23684211       0.006
   0.50000000  0.00000000  0.21052632       0.006
   0.50000000  0.00000000  0.18421053       0.006
   0.50000000  0.00000000  0.15789474       0.006
   0.50000000  0.00000000  0.13157895       0.006
   0.50000000  0.00000000  0.10526316       0.006
   0.50000000  0.00000000  0.07894737       0.006
   0.50000000  0.00000000  0.05263158       0.006
   0.50000000  0.00000000  0.02631579       0.006
   0.50000000  0.00000000  0.00000000       0.006
   0.33333333  0.33333333  0.50000000       0.006
   0.33333333  0.33333333  0.47368421       0.006
   0.33333333  0.33333333  0.44736842       0.006
   0.33333333  0.33333333  0.42105263       0.006
   0.33333333  0.33333333  0.39473684       0.006
   0.33333333  0.33333333  0.36842105       0.006
   0.33333333  0.33333333  0.34210526       0.006
   0.33333333  0.33333333  0.31578947       0.006
   0.33333333  0.33333333  0.28947368       0.006
   0.33333333  0.33333333  0.26315789       0.006
   0.33333333  0.33333333  0.23684211       0.006
   0.33333333  0.33333333  0.21052632       0.006
   0.33333333  0.33333333  0.18421053       0.006
   0.33333333  0.33333333  0.15789474       0.006
   0.33333333  0.33333333  0.13157895       0.006
   0.33333333  0.33333333  0.10526316       0.006
   0.33333333  0.33333333  0.07894737       0.006
   0.33333333  0.33333333  0.05263158       0.006
   0.33333333  0.33333333  0.02631579       0.006
   0.33333333  0.33333333  0.00000000       0.006

 position of ions in fractional coordinates (direct lattice) 
   0.33333334  0.66666669  0.00188313
   0.66666663  0.33333331  0.50188313
   0.33333334  0.66666669  0.38061686
   0.66666663  0.33333331  0.88061686

 position of ions in cartesian coordinates  (Angst):
  -0.00000000  1.86886267  0.00984259
   1.61848240  0.93443125  2.62319670
  -0.00000000  1.86886267  1.98937326
   1.61848240  0.93443125  4.60272736



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


 k-point     1 :   0.0000 0.0000 0.0000  plane waves:     845
 k-point     2 :   0.0263 0.0000 0.0000  plane waves:     849
 k-point     3 :   0.0526 0.0000 0.0000  plane waves:     861
 k-point     4 :   0.0789 0.0000 0.0000  plane waves:     861
 k-point     5 :   0.1053 0.0000 0.0000  plane waves:     857
 k-point     6 :   0.1316 0.0000 0.0000  plane waves:     857
 k-point     7 :   0.1579 0.0000 0.0000  plane waves:     861
 k-point     8 :   0.1842 0.0000 0.0000  plane waves:     865
 k-point     9 :   0.2105 0.0000 0.0000  plane waves:     861
 k-point    10 :   0.2368 0.0000 0.0000  plane waves:     859
 k-point    11 :   0.2632 0.0000 0.0000  plane waves:     859
 k-point    12 :   0.2895 0.0000 0.0000  plane waves:     857
 k-point    13 :   0.3158 0.0000 0.0000  plane waves:     859
 k-point    14 :   0.3421 0.0000 0.0000  plane waves:     859
 k-point    15 :   0.3684 0.0000 0.0000  plane waves:     863
 k-point    16 :   0.3947 0.0000 0.0000  plane waves:     869
 k-point    17 :   0.4211 0.0000 0.0000  plane waves:     873
 k-point    18 :   0.4474 0.0000 0.0000  plane waves:     870
 k-point    19 :   0.4737 0.0000 0.0000  plane waves:     868
 k-point    20 :   0.5000 0.0000 0.0000  plane waves:     868
 k-point    21 :   0.5000 0.0000 0.0000  plane waves:     868
 k-point    22 :   0.4912 0.0175 0.0000  plane waves:     866
 k-point    23 :   0.4825 0.0351 0.0000  plane waves:     866
 k-point    24 :   0.4737 0.0526 0.0000  plane waves:     870
 k-point    25 :   0.4649 0.0702 0.0000  plane waves:     872
 k-point    26 :   0.4561 0.0877 0.0000  plane waves:     872
 k-point    27 :   0.4474 0.1053 0.0000  plane waves:     876
 k-point    28 :   0.4386 0.1228 0.0000  plane waves:     868
 k-point    29 :   0.4298 0.1404 0.0000  plane waves:     866
 k-point    30 :   0.4211 0.1579 0.0000  plane waves:     864
 k-point    31 :   0.4123 0.1754 0.0000  plane waves:     864
 k-point    32 :   0.4035 0.1930 0.0000  plane waves:     864
 k-point    33 :   0.3947 0.2105 0.0000  plane waves:     868
 k-point    34 :   0.3860 0.2281 0.0000  plane waves:     872
 k-point    35 :   0.3772 0.2456 0.0000  plane waves:     862
 k-point    36 :   0.3684 0.2632 0.0000  plane waves:     864
 k-point    37 :   0.3596 0.2807 0.0000  plane waves:     867
 k-point    38 :   0.3509 0.2982 0.0000  plane waves:     875
 k-point    39 :   0.3421 0.3158 0.0000  plane waves:     875
 k-point    40 :   0.3333 0.3333 0.0000  plane waves:     867
 k-point    41 :   0.3333 0.3333 0.0000  plane waves:     867
 k-point    42 :   0.3158 0.3158 0.0000  plane waves:     873
 k-point    43 :   0.2982 0.2982 0.0000  plane waves:     869
 k-point    44 :   0.2807 0.2807 0.0000  plane waves:     863
 k-point    45 :   0.2632 0.2632 0.0000  plane waves:     861
 k-point    46 :   0.2456 0.2456 0.0000  plane waves:     869
 k-point    47 :   0.2281 0.2281 0.0000  plane waves:     869
 k-point    48 :   0.2105 0.2105 0.0000  plane waves:     861
 k-point    49 :   0.1930 0.1930 0.0000  plane waves:     863
 k-point    50 :   0.1754 0.1754 0.0000  plane waves:     859
 k-point    51 :   0.1579 0.1579 0.0000  plane waves:     867
 k-point    52 :   0.1404 0.1404 0.0000  plane waves:     863
 k-point    53 :   0.1228 0.1228 0.0000  plane waves:     865
 k-point    54 :   0.1053 0.1053 0.0000  plane waves:     861
 k-point    55 :   0.0877 0.0877 0.0000  plane waves:     863
 k-point    56 :   0.0702 0.0702 0.0000  plane waves:     859
 k-point    57 :   0.0526 0.0526 0.0000  plane waves:     863
 k-point    58 :   0.0351 0.0351 0.0000  plane waves:     861
 k-point    59 :   0.0175 0.0175 0.0000  plane waves:     849
 k-point    60 :  -0.0000-0.0000 0.0000  plane waves:     845
 k-point    61 :   0.0000 0.0000 0.0000  plane waves:     845
 k-point    62 :   0.0000 0.0000 0.0263  plane waves:     845
 k-point    63 :   0.0000 0.0000 0.0526  plane waves:     857
 k-point    64 :   0.0000 0.0000 0.0789  plane waves:     857
 k-point    65 :   0.0000 0.0000 0.1053  plane waves:     857
 k-point    66 :   0.0000 0.0000 0.1316  plane waves:     857
 k-point    67 :   0.0000 0.0000 0.1579  plane waves:     857
 k-point    68 :   0.0000 0.0000 0.1842  plane waves:     857
 k-point    69 :   0.0000 0.0000 0.2105  plane waves:     857
 k-point    70 :   0.0000 0.0000 0.2368  plane waves:     857
 k-point    71 :   0.0000 0.0000 0.2632  plane waves:     845
 k-point    72 :   0.0000 0.0000 0.2895  plane waves:     845
 k-point    73 :   0.0000 0.0000 0.3158  plane waves:     845
 k-point    74 :   0.0000 0.0000 0.3421  plane waves:     845
 k-point    75 :   0.0000 0.0000 0.3684  plane waves:     845
 k-point    76 :   0.0000 0.0000 0.3947  plane waves:     845
 k-point    77 :   0.0000 0.0000 0.4211  plane waves:     845
 k-point    78 :   0.0000 0.0000 0.4474  plane waves:     857
 k-point    79 :   0.0000 0.0000 0.4737  plane waves:     857
 k-point    80 :   0.0000 0.0000 0.5000  plane waves:     858
 k-point    81 :   0.0000 0.0000 0.5000  plane waves:     858
 k-point    82 :   0.0263 0.0000 0.5000  plane waves:     854
 k-point    83 :   0.0526 0.0000 0.5000  plane waves:     856
 k-point    84 :   0.0789 0.0000 0.5000  plane waves:     860
 k-point    85 :   0.1053 0.0000 0.5000  plane waves:     864
 k-point    86 :   0.1316 0.0000 0.5000  plane waves:     874
 k-point    87 :   0.1579 0.0000 0.5000  plane waves:     870
 k-point    88 :   0.1842 0.0000 0.5000  plane waves:     866
 k-point    89 :   0.2105 0.0000 0.5000  plane waves:     870
 k-point    90 :   0.2368 0.0000 0.5000  plane waves:     870
 k-point    91 :   0.2632 0.0000 0.5000  plane waves:     874
 k-point    92 :   0.2895 0.0000 0.5000  plane waves:     874
 k-point    93 :   0.3158 0.0000 0.5000  plane waves:     870
 k-point    94 :   0.3421 0.0000 0.5000  plane waves:     864
 k-point    95 :   0.3684 0.0000 0.5000  plane waves:     864
 k-point    96 :   0.3947 0.0000 0.5000  plane waves:     858
 k-point    97 :   0.4211 0.0000 0.5000  plane waves:     854
 k-point    98 :   0.4474 0.0000 0.5000  plane waves:     856
 k-point    99 :   0.4737 0.0000 0.5000  plane waves:     856
 k-point   100 :   0.5000 0.0000 0.5000  plane waves:     848
 k-point   101 :   0.5000 0.0000 0.5000  plane waves:     848
 k-point   102 :   0.4912 0.0175 0.5000  plane waves:     852
 k-point   103 :   0.4825 0.0351 0.5000  plane waves:     856
 k-point   104 :   0.4737 0.0526 0.5000  plane waves:     850
 k-point   105 :   0.4649 0.0702 0.5000  plane waves:     850
 k-point   106 :   0.4561 0.0877 0.5000  plane waves:     854
 k-point   107 :   0.4474 0.1053 0.5000  plane waves:     854
 k-point   108 :   0.4386 0.1228 0.5000  plane waves:     854
 k-point   109 :   0.4298 0.1404 0.5000  plane waves:     846
 k-point   110 :   0.4211 0.1579 0.5000  plane waves:     850
 k-point   111 :   0.4123 0.1754 0.5000  plane waves:     850
 k-point   112 :   0.4035 0.1930 0.5000  plane waves:     860
 k-point   113 :   0.3947 0.2105 0.5000  plane waves:     858
 k-point   114 :   0.3860 0.2281 0.5000  plane waves:     854
 k-point   115 :   0.3772 0.2456 0.5000  plane waves:     854
 k-point   116 :   0.3684 0.2632 0.5000  plane waves:     854
 k-point   117 :   0.3596 0.2807 0.5000  plane waves:     856
 k-point   118 :   0.3509 0.2982 0.5000  plane waves:     856
 k-point   119 :   0.3421 0.3158 0.5000  plane waves:     852
 k-point   120 :   0.3333 0.3333 0.5000  plane waves:     852
 k-point   121 :   0.3333 0.3333 0.5000  plane waves:     852
 k-point   122 :   0.3158 0.3158 0.5000  plane waves:     852
 k-point   123 :   0.2982 0.2982 0.5000  plane waves:     852
 k-point   124 :   0.2807 0.2807 0.5000  plane waves:     846
 k-point   125 :   0.2632 0.2632 0.5000  plane waves:     842
 k-point   126 :   0.2456 0.2456 0.5000  plane waves:     844
 k-point   127 :   0.2281 0.2281 0.5000  plane waves:     850
 k-point   128 :   0.2105 0.2105 0.5000  plane waves:     854
 k-point   129 :   0.1930 0.1930 0.5000  plane waves:     852
 k-point   130 :   0.1754 0.1754 0.5000  plane waves:     864
 k-point   131 :   0.1579 0.1579 0.5000  plane waves:     864
 k-point   132 :   0.1404 0.1404 0.5000  plane waves:     864
 k-point   133 :   0.1228 0.1228 0.5000  plane waves:     864
 k-point   134 :   0.1053 0.1053 0.5000  plane waves:     872
 k-point   135 :   0.0877 0.0877 0.5000  plane waves:     868
 k-point   136 :   0.0702 0.0702 0.5000  plane waves:     868
 k-point   137 :   0.0526 0.0526 0.5000  plane waves:     856
 k-point   138 :   0.0351 0.0351 0.5000  plane waves:     852
 k-point   139 :   0.0175 0.0175 0.5000  plane waves:     852
 k-point   140 :  -0.0000-0.0000 0.5000  plane waves:     858
 k-point   141 :   0.5000 0.0000 0.5000  plane waves:     848
 k-point   142 :   0.5000 0.0000 0.4737  plane waves:     856
 k-point   143 :   0.5000 0.0000 0.4474  plane waves:     858
 k-point   144 :   0.5000 0.0000 0.4211  plane waves:     862
 k-point   145 :   0.5000 0.0000 0.3947  plane waves:     862
 k-point   146 :   0.5000 0.0000 0.3684  plane waves:     868
 k-point   147 :   0.5000 0.0000 0.3421  plane waves:     872
 k-point   148 :   0.5000 0.0000 0.3158  plane waves:     872
 k-point   149 :   0.5000 0.0000 0.2895  plane waves:     872
 k-point   150 :   0.5000 0.0000 0.2632  plane waves:     870
 k-point   151 :   0.5000 0.0000 0.2368  plane waves:     866
 k-point   152 :   0.5000 0.0000 0.2105  plane waves:     874
 k-point   153 :   0.5000 0.0000 0.1842  plane waves:     866
 k-point   154 :   0.5000 0.0000 0.1579  plane waves:     866
 k-point   155 :   0.5000 0.0000 0.1316  plane waves:     868
 k-point   156 :   0.5000 0.0000 0.1053  plane waves:     868
 k-point   157 :   0.5000 0.0000 0.0789  plane waves:     868
 k-point   158 :   0.5000 0.0000 0.0526  plane waves:     864
 k-point   159 :   0.5000 0.0000 0.0263  plane waves:     870
 k-point   160 :   0.5000 0.0000 0.0000  plane waves:     868
 k-point   161 :   0.3333 0.3333 0.5000  plane waves:     852
 k-point   162 :   0.3333 0.3333 0.4737  plane waves:     846
 k-point   163 :   0.3333 0.3333 0.4474  plane waves:     855
 k-point   164 :   0.3333 0.3333 0.4211  plane waves:     855
 k-point   165 :   0.3333 0.3333 0.3947  plane waves:     855
 k-point   166 :   0.3333 0.3333 0.3684  plane waves:     852
 k-point   167 :   0.3333 0.3333 0.3421  plane waves:     855
 k-point   168 :   0.3333 0.3333 0.3158  plane waves:     861
 k-point   169 :   0.3333 0.3333 0.2895  plane waves:     861
 k-point   170 :   0.3333 0.3333 0.2632  plane waves:     861
 k-point   171 :   0.3333 0.3333 0.2368  plane waves:     864
 k-point   172 :   0.3333 0.3333 0.2105  plane waves:     858
 k-point   173 :   0.3333 0.3333 0.1842  plane waves:     858
 k-point   174 :   0.3333 0.3333 0.1579  plane waves:     858
 k-point   175 :   0.3333 0.3333 0.1316  plane waves:     858
 k-point   176 :   0.3333 0.3333 0.1053  plane waves:     864
 k-point   177 :   0.3333 0.3333 0.0789  plane waves:     864
 k-point   178 :   0.3333 0.3333 0.0526  plane waves:     870
 k-point   179 :   0.3333 0.3333 0.0263  plane waves:     876
 k-point   180 :   0.3333 0.3333 0.0000  plane waves:     867

 maximum and minimum number of plane-waves per node :       876      842

 maximum number of plane-waves:       876
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=    8
   IXMIN=   -5   IYMIN=   -5   IZMIN=   -9


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


 total amount of memory used by VASP MPI-rank0    83053. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      45675. kBytes
   fftplans  :        449. kBytes
   grid      :       1430. kBytes
   one-center:         62. kBytes
   wavefun   :       5437. kBytes

     INWAV:  cpu time      0.4635: real time      0.4997
 initial charge density was supplied:
 number of electron      36.0000062 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          624 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.490
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 4

    FEWALD:  cpu time      0.0005: real time      0.0005


--------------------------------------- Ionic step        1  -------------------------------------------




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


    POTLOK:  cpu time      0.0062: real time      0.0062
    SETDIJ:  cpu time      0.0023: real time      0.0023
     EDDAV:  cpu time      0.7951: real time      1.3638
       DOS:  cpu time      0.0007: real time      0.0007
    --------------------------------------------
      LOOP:  cpu time      0.8043: real time      1.3731

 eigenvalue-minimisations  :  6224
 total energy-change (2. order) :-0.1886339E+02  (-0.3532852E-08)
 number of electron      36.0000062 magnetization 
 augmentation part       36.0000062 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       235.39032263
  Ewald energy   TEWEN  =     -2966.37882395
  -Hartree energ DENC   =     -1302.80048662
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       173.67687239
  PAW double counting   =      4162.71859455    -4523.00183848
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -155.64854421
  atomic energy  EATOM  =      4357.18051815
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.86338556 eV

  energy without entropy =      -18.86338556  energy(sigma->0) =      -18.86338556


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




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


     EDDAV:  cpu time      0.7001: real time      0.7060
       DOS:  cpu time      0.0004: real time      0.0004
    --------------------------------------------
      LOOP:  cpu time      0.7006: real time      0.7065

 eigenvalue-minimisations  :  6224
 total energy-change (2. order) :-0.5029506E-09  (-0.5075559E-09)
 number of electron      36.0000062 magnetization 
 augmentation part       36.0000062 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       235.39032263
  Ewald energy   TEWEN  =     -2966.37882395
  -Hartree energ DENC   =     -1302.80048662
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       173.67687239
  PAW double counting   =      4162.71859455    -4523.00183848
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -155.64854421
  atomic energy  EATOM  =      4357.18051815
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -18.86338556 eV

  energy without entropy =      -18.86338556  energy(sigma->0) =      -18.86338556


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




 average (electrostatic) potential at core
  the test charge radii are     0.9521  0.7215
  (the norm of the test charge is              1.0000)
       1 -35.6213       2 -35.6213       3 -73.2505       4 -73.2505



 E-fermi :   1.5092     XC(G=0): -11.2043     alpha+bet : -7.9317

 val. band max:        1.0860715847   @ k =  -0.0000  -0.0000   0.0000
 cond. band min:       1.7612839057   @ k =   0.0000   0.0000   0.0000
 fundamental gap:      0.6752123210
 Fermi energy:         1.5092163921

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9947      2.00000
      2     -16.2530      2.00000
      3      -4.6811      2.00000
      4      -4.6480      2.00000
      5      -4.6479      2.00000
      6      -4.6090      2.00000
      7      -4.4527      2.00000
      8      -4.4527      2.00000
      9      -3.4305      2.00000
     10      -3.4305      2.00000
     11      -3.2152      2.00000
     12      -3.2152      2.00000
     13      -2.9475      2.00000
     14       0.2744      2.00000
     15       0.2744      2.00000
     16       0.9978      2.00000
     17       1.0860      2.00000
     18       1.0861      2.00000
     19       1.7613      0.00000
     20       6.2154      0.00000
     21       9.1700      0.00000
     22      13.8902      0.00000
     23      13.8904      0.00000
     24      14.9217      0.00000
     25      15.1701      0.00000
     26      15.1702      0.00000
     27      17.5003      0.00000
     28      19.2032      0.00000
     29      19.2034      0.00000
     30      20.8851      0.00000
     31      20.8910      0.00000
     32      20.8912      0.00000

 k-point     2 :       0.0263    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9912      2.00000
      2     -16.2511      2.00000
      3      -4.6756      2.00000
      4      -4.6537      2.00000
      5      -4.6458      2.00000
      6      -4.6055      2.00000
      7      -4.4534      2.00000
      8      -4.4496      2.00000
      9      -3.4322      2.00000
     10      -3.4308      2.00000
     11      -3.2148      2.00000
     12      -3.2125      2.00000
     13      -2.9483      2.00000
     14       0.2476      2.00000
     15       0.2647      2.00000
     16       0.9872      2.00000
     17       1.0053      2.00000
     18       1.0799      2.00000
     19       1.8541      0.00000
     20       6.2469      0.00000
     21       9.1696      0.00000
     22      13.7939      0.00000
     23      13.8972      0.00000
     24      14.9388      0.00000
     25      15.1101      0.00000
     26      15.1811      0.00000
     27      17.5002      0.00000
     28      19.1215      0.00000
     29      19.1876      0.00000
     30      20.7151      0.00000
     31      21.0133      0.00000
     32      21.1669      0.00000

 k-point     3 :       0.0526    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9801      2.00000
      2     -16.2463      2.00000
      3      -4.6747      2.00000
      4      -4.6531      2.00000
      5      -4.6393      2.00000
      6      -4.5971      2.00000
      7      -4.4555      2.00000
      8      -4.4401      2.00000
      9      -3.4377      2.00000
     10      -3.4318      2.00000
     11      -3.2137      2.00000
     12      -3.2044      2.00000
     13      -2.9510      2.00000
     14       0.1656      2.00000
     15       0.2356      2.00000
     16       0.8173      2.00000
     17       0.9769      2.00000
     18       1.0628      2.00000
     19       2.0605      0.00000
     20       6.3395      0.00000
     21       9.1667      0.00000
     22      13.5380      0.00000
     23      13.9177      0.00000
     24      14.9090      0.00000
     25      15.0108      0.00000
     26      15.2122      0.00000
     27      17.4402      0.00000
     28      18.9312      0.00000
     29      19.1887      0.00000
     30      20.6926      0.00000
     31      21.3263      0.00000
     32      21.4883      0.00000

 k-point     4 :       0.0789    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9603      2.00000
      2     -16.2376      2.00000
      3      -4.6976      2.00000
      4      -4.6280      2.00000
      5      -4.6248      2.00000
      6      -4.5848      2.00000
      7      -4.4573      2.00000
      8      -4.4243      2.00000
      9      -3.4462      2.00000
     10      -3.4331      2.00000
     11      -3.2118      2.00000
     12      -3.1911      2.00000
     13      -2.9553      2.00000
     14       0.0356      2.00000
     15       0.1878      2.00000
     16       0.6141      2.00000
     17       0.9532      2.00000
     18       1.0381      2.00000
     19       2.3110      0.00000
     20       6.4870      0.00000
     21       9.1649      0.00000
     22      13.1834      0.00000
     23      13.9520      0.00000
     24      14.6601      0.00000
     25      15.0589      0.00000
     26      15.2566      0.00000
     27      17.2377      0.00000
     28      18.7167      0.00000
     29      19.2684      0.00000
     30      20.8127      0.00000
     31      21.7513      0.00000
     32      21.8408      0.00000

 k-point     5 :       0.1053    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9333      2.00000
      2     -16.2250      2.00000
      3      -4.7282      2.00000
      4      -4.6129      2.00000
      5      -4.5862      2.00000
      6      -4.5701      2.00000
      7      -4.4559      2.00000
      8      -4.4025      2.00000
      9      -3.4576      2.00000
     10      -3.4340      2.00000
     11      -3.2095      2.00000
     12      -3.1727      2.00000
     13      -2.9606      2.00000
     14      -0.1359      2.00000
     15       0.1242      2.00000
     16       0.4083      2.00000
     17       0.9202      2.00000
     18       1.0028      2.00000
     19       2.5842      0.00000
     20       6.6816      0.00000
     21       9.1614      0.00000
     22      12.7798      0.00000
     23      13.9992      0.00000
     24      14.3483      0.00000
     25      15.1141      0.00000
     26      15.3048      0.00000
     27      16.9200      0.00000
     28      18.5298      0.00000
     29      19.3746      0.00000
     30      21.0725      0.00000
     31      22.2405      0.00000
     32      22.2445      0.00000

 k-point     6 :       0.1316    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.8994      2.00000
      2     -16.2104      2.00000
      3      -4.7641      2.00000
      4      -4.5946      2.00000
      5      -4.5577      2.00000
      6      -4.5426      2.00000
      7      -4.4437      2.00000
      8      -4.3750      2.00000
      9      -3.4719      2.00000
     10      -3.4343      2.00000
     11      -3.2068      2.00000
     12      -3.1499      2.00000
     13      -2.9667      2.00000
     14      -0.3440      2.00000
     15       0.0449      2.00000
     16       0.2090      2.00000
     17       0.8773      2.00000
     18       0.9593      2.00000
     19       2.8694      0.00000
     20       6.9102      0.00000
     21       9.1554      0.00000
     22      12.3574      0.00000
     23      14.0093      0.00000
     24      14.0567      0.00000
     25      15.1385      0.00000
     26      15.3430      0.00000
     27      16.5812      0.00000
     28      18.4013      0.00000
     29      19.4272      0.00000
     30      21.4586      0.00000
     31      22.6637      0.00000
     32      22.7853      0.00000

 k-point     7 :       0.1579    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.8594      2.00000
      2     -16.1941      2.00000
      3      -4.8039      2.00000
      4      -4.5736      2.00000
      5      -4.5493      2.00000
      6      -4.5064      2.00000
      7      -4.4070      2.00000
      8      -4.3426      2.00000
      9      -3.4884      2.00000
     10      -3.4330      2.00000
     11      -3.2039      2.00000
     12      -3.1238      2.00000
     13      -2.9717      2.00000
     14      -0.5763      2.00000
     15      -0.0496      2.00000
     16       0.0128      2.00000
     17       0.8251      2.00000
     18       0.9084      2.00000
     19       3.1649      0.00000
     20       7.1628      0.00000
     21       9.1474      0.00000
     22      11.9360      0.00000
     23      13.6646      0.00000
     24      14.1226      0.00000
     25      15.0767      0.00000
     26      15.3578      0.00000
     27      16.3245      0.00000
     28      18.3512      0.00000
     29      19.4167      0.00000
     30      21.8793      0.00000
     31      23.0410      0.00000
     32      23.3634      0.00000

 k-point     8 :       0.1842    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.8144      2.00000
      2     -16.1758      2.00000
      3      -4.8441      2.00000
      4      -4.5510      2.00000
      5      -4.5507      2.00000
      6      -4.4752      2.00000
      7      -4.3444      2.00000
      8      -4.3047      2.00000
      9      -3.5065      2.00000
     10      -3.4297      2.00000
     11      -3.2008      2.00000
     12      -3.0981      2.00000
     13      -2.9721      2.00000
     14      -0.8222      2.00000
     15      -0.1789      2.00000
     16      -0.1525      2.00000
     17       0.7596      2.00000
     18       0.8500      2.00000
     19       3.4685      0.00000
     20       7.4272      0.00000
     21       9.1359      0.00000
     22      11.5279      0.00000
     23      13.3292      0.00000
     24      14.1943      0.00000
     25      14.8803      0.00000
     26      15.3424      0.00000
     27      16.2236      0.00000
     28      18.3904      0.00000
     29      19.3691      0.00000
     30      22.1391      0.00000
     31      23.3757      0.00000
     32      23.9725      0.00000

 k-point     9 :       0.2105    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.7639      2.00000
      2     -16.1565      2.00000
      3      -4.8829      2.00000
      4      -4.5582      2.00000
      5      -4.5276      2.00000
      6      -4.4421      2.00000
      7      -4.2672      2.00000
      8      -4.2622      2.00000
      9      -3.5250      2.00000
     10      -3.4237      2.00000
     11      -3.1976      2.00000
     12      -3.0792      2.00000
     13      -2.9609      2.00000
     14      -1.0727      2.00000
     15      -0.3679      2.00000
     16      -0.2634      2.00000
     17       0.6870      2.00000
     18       0.7866      2.00000
     19       3.7800      0.00000
     20       7.6916      0.00000
     21       9.1204      0.00000
     22      11.1417      0.00000
     23      13.0150      0.00000
     24      14.2670      0.00000
     25      14.5860      0.00000
     26      15.2981      0.00000
     27      16.2556      0.00000
     28      18.5187      0.00000
     29      19.3091      0.00000
     30      22.1032      0.00000
     31      23.7681      0.00000
     32      24.4745      0.00000

 k-point    10 :       0.2368    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.7105      2.00000
      2     -16.1368      2.00000
      3      -4.9184      2.00000
      4      -4.5694      2.00000
      5      -4.5048      2.00000
      6      -4.4057      2.00000
      7      -4.2161      2.00000
      8      -4.1833      2.00000
      9      -3.5423      2.00000
     10      -3.4146      2.00000
     11      -3.1943      2.00000
     12      -3.0723      2.00000
     13      -2.9329      2.00000
     14      -1.3228      2.00000
     15      -0.5543      2.00000
     16      -0.3796      2.00000
     17       0.6047      2.00000
     18       0.7177      2.00000
     19       4.0963      0.00000
     20       7.9421      0.00000
     21       9.0991      0.00000
     22      10.7821      0.00000
     23      12.7299      0.00000
     24      14.2650      0.00000
     25      14.3349      0.00000
     26      15.2359      0.00000
     27      16.3537      0.00000
     28      18.7265      0.00000
     29      19.2542      0.00000
     30      21.8832      0.00000
     31      24.1075      0.00000
     32      24.9509      0.00000

 k-point    11 :       0.2632    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.6548      2.00000
      2     -16.1180      2.00000
      3      -4.9487      2.00000
      4      -4.5826      2.00000
      5      -4.4828      2.00000
      6      -4.3661      2.00000
      7      -4.1672      2.00000
      8      -4.0995      2.00000
      9      -3.5556      2.00000
     10      -3.4021      2.00000
     11      -3.1910      2.00000
     12      -3.0739      2.00000
     13      -2.8919      2.00000
     14      -1.5653      2.00000
     15      -0.7389      2.00000
     16      -0.4990      2.00000
     17       0.5128      2.00000
     18       0.6476      2.00000
     19       4.4144      0.00000
     20       8.1638      0.00000
     21       9.0697      0.00000
     22      10.4553      0.00000
     23      12.4808      0.00000
     24      13.9622      0.00000
     25      14.3883      0.00000
     26      15.1711      0.00000
     27      16.4731      0.00000
     28      18.9992      0.00000
     29      19.2150      0.00000
     30      21.5982      0.00000
     31      24.3031      0.00000
     32      25.4441      0.00000

 k-point    12 :       0.2895    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.5980      2.00000
      2     -16.1003      2.00000
      3      -4.9719      2.00000
      4      -4.5967      2.00000
      5      -4.4631      2.00000
      6      -4.3235      2.00000
      7      -4.1165      2.00000
      8      -4.0237      2.00000
      9      -3.5599      2.00000
     10      -3.3864      2.00000
     11      -3.1875      2.00000
     12      -3.0770      2.00000
     13      -2.8460      2.00000
     14      -1.7931      2.00000
     15      -0.9185      2.00000
     16      -0.6186      2.00000
     17       0.4124      2.00000
     18       0.5767      2.00000
     19       4.7334      0.00000
     20       8.3432      0.00000
     21       9.0262      0.00000
     22      10.1703      0.00000
     23      12.2713      0.00000
     24      13.7031      0.00000
     25      14.4170      0.00000
     26      15.1227      0.00000
     27      16.5897      0.00000
     28      19.1999      0.00000
     29      19.3214      0.00000
     30      21.3023      0.00000
     31      24.3810      0.00000
     32      25.7148      0.00000

 k-point    13 :       0.3158    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.5411      2.00000
      2     -16.0859      2.00000
      3      -4.9874      2.00000
      4      -4.6125      2.00000
      5      -4.4448      2.00000
      6      -4.2791      2.00000
      7      -4.0654      2.00000
      8      -3.9668      2.00000
      9      -3.5495      2.00000
     10      -3.3676      2.00000
     11      -3.1838      2.00000
     12      -3.0758      2.00000
     13      -2.8039      2.00000
     14      -1.9989      2.00000
     15      -1.0934      2.00000
     16      -0.7358      2.00000
     17       0.3080      2.00000
     18       0.5097      2.00000
     19       5.0505      0.00000
     20       8.4679      0.00000
     21       8.9570      0.00000
     22       9.9338      0.00000
     23      12.0990      0.00000
     24      13.5020      0.00000
     25      14.4139      0.00000
     26      15.1031      0.00000
     27      16.6873      0.00000
     28      19.2119      0.00000
     29      19.6788      0.00000
     30      21.0181      0.00000
     31      24.3791      0.00000
     32      25.7277      0.00000

 k-point    14 :       0.3421    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.4860      2.00000
      2     -16.0738      2.00000
      3      -4.9935      2.00000
      4      -4.6295      2.00000
      5      -4.4297      2.00000
      6      -4.2332      2.00000
      7      -4.0156      2.00000
      8      -3.9358      2.00000
      9      -3.5216      2.00000
     10      -3.3466      2.00000
     11      -3.1800      2.00000
     12      -3.0643      2.00000
     13      -2.7783      2.00000
     14      -2.1680      2.00000
     15      -1.2590      2.00000
     16      -0.8472      2.00000
     17       0.2000      2.00000
     18       0.4446      2.00000
     19       5.3642      0.00000
     20       8.5389      0.00000
     21       8.8453      0.00000
     22       9.7651      0.00000
     23      11.9593      0.00000
     24      13.3676      0.00000
     25      14.3820      0.00000
     26      15.1129      0.00000
     27      16.7585      0.00000
     28      19.2513      0.00000
     29      20.0555      0.00000
     30      20.7610      0.00000
     31      24.3258      0.00000
     32      25.6606      0.00000

 k-point    15 :       0.3684    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.4342      2.00000
      2     -16.0654      2.00000
      3      -4.9904      2.00000
      4      -4.6488      2.00000
      5      -4.4173      2.00000
      6      -4.1870      2.00000
      7      -3.9689      2.00000
      8      -3.9298      2.00000
      9      -3.4841      2.00000
     10      -3.3246      2.00000
     11      -3.1762      2.00000
     12      -3.0368      2.00000
     13      -2.7874      2.00000
     14      -2.2839      2.00000
     15      -1.4124      2.00000
     16      -0.9500      2.00000
     17       0.0922      2.00000
     18       0.3850      2.00000
     19       5.6718      0.00000
     20       8.5641      0.00000
     21       8.6831      0.00000
     22       9.6609      0.00000
     23      11.8443      0.00000
     24      13.2994      0.00000
     25      14.3333      0.00000
     26      15.1418      0.00000
     27      16.8015      0.00000
     28      19.3105      0.00000
     29      20.4361      0.00000
     30      20.5371      0.00000
     31      24.2456      0.00000
     32      25.5917      0.00000

 k-point    16 :       0.3947    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.3871      2.00000
      2     -16.0607      2.00000
      3      -4.9786      2.00000
      4      -4.6698      2.00000
      5      -4.4076      2.00000
      6      -4.1422      2.00000
      7      -3.9399      2.00000
      8      -3.9273      2.00000
      9      -3.4499      2.00000
     10      -3.3029      2.00000
     11      -3.1726      2.00000
     12      -2.9942      2.00000
     13      -2.8339      2.00000
     14      -2.3422      2.00000
     15      -1.5490      2.00000
     16      -1.0405      2.00000
     17      -0.0105      2.00000
     18       0.3332      2.00000
     19       5.9693      0.00000
     20       8.4790      0.00000
     21       8.5628      0.00000
     22       9.6065      0.00000
     23      11.7465      0.00000
     24      13.2850      0.00000
     25      14.2808      0.00000
     26      15.1781      0.00000
     27      16.8210      0.00000
     28      19.3767      0.00000
     29      20.3521      0.00000
     30      20.8024      0.00000
     31      24.1576      0.00000
     32      25.5572      0.00000

 k-point    17 :       0.4211    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.3466      2.00000
      2     -16.0591      2.00000
      3      -4.9601      2.00000
      4      -4.6928      2.00000
      5      -4.4005      2.00000
      6      -4.1007      2.00000
      7      -3.9572      2.00000
      8      -3.8928      2.00000
      9      -3.4260      2.00000
     10      -3.2832      2.00000
     11      -3.1694      2.00000
     12      -2.9786      2.00000
     13      -2.8536      2.00000
     14      -2.3719      2.00000
     15      -1.6587      2.00000
     16      -1.1161      2.00000
     17      -0.1019      2.00000
     18       0.2909      2.00000
     19       6.2509      0.00000
     20       8.2610      0.00000
     21       8.5456      0.00000
     22       9.5792      0.00000
     23      11.6686      0.00000
     24      13.3058      0.00000
     25      14.2333      0.00000
     26      15.2117      0.00000
     27      16.8245      0.00000
     28      19.4369      0.00000
     29      20.2115      0.00000
     30      21.1324      0.00000
     31      24.0766      0.00000
     32      25.5764      0.00000

 k-point    18 :       0.4474    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.3146      2.00000
      2     -16.0593      2.00000
      3      -4.9375      2.00000
      4      -4.7160      2.00000
      5      -4.3955      2.00000
      6      -4.0653      2.00000
      7      -3.9752      2.00000
      8      -3.8666      2.00000
      9      -3.4124      2.00000
     10      -3.2672      2.00000
     11      -3.1668      2.00000
     12      -3.0296      2.00000
     13      -2.7853      2.00000
     14      -2.4082      2.00000
     15      -1.7344      2.00000
     16      -1.1725      2.00000
     17      -0.1746      2.00000
     18       0.2595      2.00000
     19       6.5050      0.00000
     20       8.0485      0.00000
     21       8.5274      0.00000
     22       9.5673      0.00000
     23      11.6101      0.00000
     24      13.3431      0.00000
     25      14.1965      0.00000
     26      15.2400      0.00000
     27      16.8203      0.00000
     28      19.4804      0.00000
     29      20.1173      0.00000
     30      21.4000      0.00000
     31      24.0123      0.00000
     32      25.6586      0.00000

 k-point    19 :       0.4737    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.2939      2.00000
      2     -16.0605      2.00000
      3      -4.9174      2.00000
      4      -4.7362      2.00000
      5      -4.3926      2.00000
      6      -4.0397      2.00000
      7      -3.9898      2.00000
      8      -3.8502      2.00000
      9      -3.4057      2.00000
     10      -3.2567      2.00000
     11      -3.1651      2.00000
     12      -3.0761      2.00000
     13      -2.6967      2.00000
     14      -2.4642      2.00000
     15      -1.7743      2.00000
     16      -1.2075      2.00000
     17      -0.2215      2.00000
     18       0.2410      2.00000
     19       6.7026      0.00000
     20       7.8738      0.00000
     21       8.5141      0.00000
     22       9.5586      0.00000
     23      11.5753      0.00000
     24      13.3731      0.00000
     25      14.1735      0.00000
     26      15.2587      0.00000
     27      16.8149      0.00000
     28      19.5029      0.00000
     29      20.0661      0.00000
     30      21.5778      0.00000
     31      23.9717      0.00000
     32      25.8032      0.00000

 k-point    20 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.2864      2.00000
      2     -16.0614      2.00000
      3      -4.9088      2.00000
      4      -4.7447      2.00000
      5      -4.3912      2.00000
      6      -4.0292      2.00000
      7      -3.9964      2.00000
      8      -3.8450      2.00000
      9      -3.4038      2.00000
     10      -3.2532      2.00000
     11      -3.1646      2.00000
     12      -3.0933      2.00000
     13      -2.6426      2.00000
     14      -2.5069      2.00000
     15      -1.7863      2.00000
     16      -1.2196      2.00000
     17      -0.2381      2.00000
     18       0.2359      2.00000
     19       6.7831      0.00000
     20       7.7998      0.00000
     21       8.5091      0.00000
     22       9.5563      0.00000
     23      11.5629      0.00000
     24      13.3839      0.00000
     25      14.1660      0.00000
     26      15.2635      0.00000
     27      16.8126      0.00000
     28      19.5095      0.00000
     29      20.0503      0.00000
     30      21.6416      0.00000
     31      23.9576      0.00000
     32      25.9867      0.00000

 k-point    21 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.2864      2.00000
      2     -16.0614      2.00000
      3      -4.9088      2.00000
      4      -4.7447      2.00000
      5      -4.3912      2.00000
      6      -4.0292      2.00000
      7      -3.9964      2.00000
      8      -3.8450      2.00000
      9      -3.4038      2.00000
     10      -3.2532      2.00000
     11      -3.1646      2.00000
     12      -3.0933      2.00000
     13      -2.6426      2.00000
     14      -2.5069      2.00000
     15      -1.7863      2.00000
     16      -1.2196      2.00000
     17      -0.2381      2.00000
     18       0.2359      2.00000
     19       6.7831      0.00000
     20       7.7998      0.00000
     21       8.5091      0.00000
     22       9.5563      0.00000
     23      11.5629      0.00000
     24      13.3839      0.00000
     25      14.1660      0.00000
     26      15.2635      0.00000
     27      16.8126      0.00000
     28      19.5095      0.00000
     29      20.0503      0.00000
     30      21.6416      0.00000
     31      23.9576      0.00000
     32      25.9877      0.00000

 k-point    22 :       0.4912    0.0175    0.0000
  band No.  band energies     occupation 
      1     -16.2858      2.00000
      2     -16.0611      2.00000
      3      -4.9072      2.00000
      4      -4.7413      2.00000
      5      -4.3921      2.00000
      6      -4.0311      2.00000
      7      -3.9955      2.00000
      8      -3.8435      2.00000
      9      -3.4041      2.00000
     10      -3.2547      2.00000
     11      -3.1640      2.00000
     12      -3.0934      2.00000
     13      -2.6420      2.00000
     14      -2.5047      2.00000
     15      -1.7876      2.00000
     16      -1.2249      2.00000
     17      -0.2402      2.00000
     18       0.2292      2.00000
     19       6.7929      0.00000
     20       7.8094      0.00000
     21       8.5102      0.00000
     22       9.5568      0.00000
     23      11.5637      0.00000
     24      13.3860      0.00000
     25      14.1383      0.00000
     26      15.2502      0.00000
     27      16.8246      0.00000
     28      19.5259      0.00000
     29      20.0714      0.00000
     30      21.6316      0.00000
     31      23.9525      0.00000
     32      26.0099      0.00000

 k-point    23 :       0.4825    0.0351    0.0000
  band No.  band energies     occupation 
      1     -16.2839      2.00000
      2     -16.0612      2.00000
      3      -4.9026      2.00000
      4      -4.7313      2.00000
      5      -4.3941      2.00000
      6      -4.0367      2.00000
      7      -3.9924      2.00000
      8      -3.8401      2.00000
      9      -3.4051      2.00000
     10      -3.2595      2.00000
     11      -3.1624      2.00000
     12      -3.0941      2.00000
     13      -2.6402      2.00000
     14      -2.4989      2.00000
     15      -1.7923      2.00000
     16      -1.2404      2.00000
     17      -0.2488      2.00000
     18       0.2130      2.00000
     19       6.8198      0.00000
     20       7.8364      0.00000
     21       8.5117      0.00000
     22       9.5585      0.00000
     23      11.5648      0.00000
     24      13.3901      0.00000
     25      14.0596      0.00000
     26      15.2071      0.00000
     27      16.8554      0.00000
     28      19.5745      0.00000
     29      20.1344      0.00000
     30      21.6076      0.00000
     31      23.9370      0.00000
     32      26.0348      0.00000

 k-point    24 :       0.4737    0.0526    0.0000
  band No.  band energies     occupation 
      1     -16.2810      2.00000
      2     -16.0613      2.00000
      3      -4.8951      2.00000
      4      -4.7149      2.00000
      5      -4.3973      2.00000
      6      -4.0455      2.00000
      7      -3.9876      2.00000
      8      -3.8349      2.00000
      9      -3.4069      2.00000
     10      -3.2671      2.00000
     11      -3.1597      2.00000
     12      -3.0954      2.00000
     13      -2.6374      2.00000
     14      -2.4898      2.00000
     15      -1.8018      2.00000
     16      -1.2643      2.00000
     17      -0.2637      2.00000
     18       0.1858      2.00000
     19       6.8638      0.00000
     20       7.8799      0.00000
     21       8.5135      0.00000
     22       9.5607      0.00000
     23      11.5659      0.00000
     24      13.3962      0.00000
     25      13.9396      0.00000
     26      15.1387      0.00000
     27      16.8936      0.00000
     28      19.6524      0.00000
     29      20.2405      0.00000
     30      21.5717      0.00000
     31      23.9120      0.00000
     32      26.0495      0.00000

 k-point    25 :       0.4649    0.0702    0.0000
  band No.  band energies     occupation 
      1     -16.2768      2.00000
      2     -16.0614      2.00000
      3      -4.8847      2.00000
      4      -4.6919      2.00000
      5      -4.4014      2.00000
      6      -4.0568      2.00000
      7      -3.9807      2.00000
      8      -3.8282      2.00000
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     30      21.5311      0.00000
     31      23.8786      0.00000
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 k-point    26 :       0.4561    0.0877    0.0000
  band No.  band energies     occupation 
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     17      -0.3102      2.00000
     18       0.1065      2.00000
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     23      11.5722      0.00000
     24      13.4002      0.00000
     25      13.6363      0.00000
     26      14.9469      0.00000
     27      16.9394      0.00000
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     29      20.5850      0.00000
     30      21.4965      0.00000
     31      23.8380      0.00000
     32      26.0690      0.00000

 k-point    27 :       0.4474    0.1053    0.0000
  band No.  band energies     occupation 
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     17      -0.3428      2.00000
     18       0.0565      2.00000
     19       7.0883      0.00000
     20       8.0915      0.00000
     21       8.5250      0.00000
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     23      11.5766      0.00000
     24      13.3418      0.00000
     25      13.5292      0.00000
     26      14.8346      0.00000
     27      16.9253      0.00000
     28      20.0217      0.00000
     29      20.8158      0.00000
     30      21.4765      0.00000
     31      23.7918      0.00000
     32      26.0357      0.00000

 k-point    28 :       0.4386    0.1228    0.0000
  band No.  band energies     occupation 
      1     -16.2567      2.00000
      2     -16.0615      2.00000
      3      -4.8395      2.00000
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     10      -3.3141      2.00000
     11      -3.1429      2.00000
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     18       0.0037      2.00000
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     20       8.1812      0.00000
     21       8.5302      0.00000
     22       9.5768      0.00000
     23      11.5830      0.00000
     24      13.1910      0.00000
     25      13.5161      0.00000
     26      14.7216      0.00000
     27      16.8801      0.00000
     28      20.1768      0.00000
     29      21.0620      0.00000
     30      21.4983      0.00000
     31      23.7418      0.00000
     32      25.9252      0.00000

 k-point    29 :       0.4298    0.1404    0.0000
  band No.  band energies     occupation 
      1     -16.2478      2.00000
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      3      -4.8214      2.00000
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      7      -3.9365      2.00000
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     10      -3.3274      2.00000
     11      -3.1390      2.00000
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     18      -0.0528      2.00000
     19       7.3007      0.00000
     20       8.2738      0.00000
     21       8.5356      0.00000
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     23      11.5895      0.00000
     24      13.0127      0.00000
     25      13.5343      0.00000
     26      14.6096      0.00000
     27      16.8017      0.00000
     28      20.3405      0.00000
     29      21.2487      0.00000
     30      21.6341      0.00000
     31      23.6893      0.00000
     32      25.7285      0.00000

 k-point    30 :       0.4211    0.1579    0.0000
  band No.  band energies     occupation 
      1     -16.2378      2.00000
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      3      -4.8027      2.00000
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     10      -3.3402      2.00000
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     18      -0.1108      2.00000
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     25      13.5635      0.00000
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     27      16.6928      0.00000
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     29      21.3318      0.00000
     30      21.9265      0.00000
     31      23.6358      0.00000
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 k-point    31 :       0.4123    0.1754    0.0000
  band No.  band energies     occupation 
      1     -16.2272      2.00000
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     29      21.3852      0.00000
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 k-point    32 :       0.4035    0.1930    0.0000
  band No.  band energies     occupation 
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     19       7.6762      0.00000
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     27      16.3937      0.00000
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     29      21.4436      0.00000
     30      22.7079      0.00000
     31      23.5308      0.00000
     32      24.8983      0.00000

 k-point    33 :       0.3947    0.2105    0.0000
  band No.  band energies     occupation 
      1     -16.2043      2.00000
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     26      14.3002      0.00000
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     31      23.4805      0.00000
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 k-point    34 :       0.3860    0.2281    0.0000
  band No.  band energies     occupation 
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     27      16.0144      0.00000
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 k-point    35 :       0.3772    0.2456    0.0000
  band No.  band energies     occupation 
      1     -16.1789      2.00000
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     27      15.8064      0.00000
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     30      23.3770      0.00000
     31      23.9822      0.00000
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 k-point    36 :       0.3684    0.2632    0.0000
  band No.  band energies     occupation 
      1     -16.1665      2.00000
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     27      15.5886      0.00000
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     30      23.2996      0.00000
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 k-point    37 :       0.3596    0.2807    0.0000
  band No.  band energies     occupation 
      1     -16.1544      2.00000
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      3      -4.7144      2.00000
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     18      -0.5643      2.00000
     19       8.3530      0.00000
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     25      13.9155      0.00000
     26      14.4087      0.00000
     27      15.3675      0.00000
     28      21.7368      0.00000
     29      21.9311      0.00000
     30      23.1417      0.00000
     31      23.5248      0.00000
     32      25.0069      0.00000

 k-point    38 :       0.3509    0.2982    0.0000
  band No.  band energies     occupation 
      1     -16.1425      2.00000
      2     -16.0993      2.00000
      3      -4.7113      2.00000
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     11      -3.3357      2.00000
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     18      -0.6254      2.00000
     19       8.4815      0.00000
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     25      13.9754      0.00000
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     27      15.1479      0.00000
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     29      22.0589      0.00000
     30      22.8867      0.00000
     31      23.4469      0.00000
     32      25.4326      0.00000

 k-point    39 :       0.3421    0.3158    0.0000
  band No.  band energies     occupation 
      1     -16.1304      2.00000
      2     -16.1085      2.00000
      3      -4.7098      2.00000
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     11      -3.3627      2.00000
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     18      -0.6671      2.00000
     19       8.5563      0.00000
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     22       9.1277      0.00000
     23      11.7190      0.00000
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     25      14.0269      0.00000
     26      14.6273      0.00000
     27      14.9414      0.00000
     28      22.0815      0.00000
     29      22.1908      0.00000
     30      22.5949      0.00000
     31      23.4180      0.00000
     32      25.7503      0.00000

 k-point    40 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1     -16.1184      2.00000
      2     -16.1183      2.00000
      3      -4.7094      2.00000
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     10      -3.3704      2.00000
     11      -3.3607      2.00000
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     16      -0.8734      2.00000
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     18      -0.6800      2.00000
     19       8.5584      0.00000
     20       8.7395      0.00000
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     22       9.1113      0.00000
     23      11.7457      0.00000
     24      11.7458      0.00000
     25      14.0513      0.00000
     26      14.7671      0.00000
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     28      22.2247      0.00000
     29      22.3233      0.00000
     30      22.3235      0.00000
     31      23.4107      0.00000
     32      25.8623      0.00000

 k-point    41 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1     -16.1184      2.00000
      2     -16.1183      2.00000
      3      -4.7094      2.00000
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     11      -3.3607      2.00000
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     16      -0.8734      2.00000
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     18      -0.6800      2.00000
     19       8.5584      0.00000
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     22       9.1113      0.00000
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     25      14.0513      0.00000
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     28      22.2247      0.00000
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     31      23.4107      0.00000
     32      25.8623      0.00000

 k-point    42 :       0.3158    0.3158    0.0000
  band No.  band energies     occupation 
      1     -16.1446      2.00000
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      3      -4.7103      2.00000
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     10      -3.4256      2.00000
     11      -3.3239      2.00000
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     18      -0.6465      2.00000
     19       8.4312      0.00000
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     22       9.1458      0.00000
     23      11.7211      0.00000
     24      11.8089      0.00000
     25      13.8923      0.00000
     26      14.6460      0.00000
     27      15.0828      0.00000
     28      21.6780      0.00000
     29      22.5733      0.00000
     30      22.6060      0.00000
     31      23.4351      0.00000
     32      25.6084      0.00000

 k-point    43 :       0.2982    0.2982    0.0000
  band No.  band energies     occupation 
      1     -16.1763      2.00000
      2     -16.0795      2.00000
      3      -4.7116      2.00000
      4      -4.3936      2.00000
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     10      -3.4630      2.00000
     11      -3.2492      2.00000
     12      -3.2067      2.00000
     13      -2.6074      2.00000
     14      -2.5834      2.00000
     15      -2.2650      2.00000
     16      -1.2015      2.00000
     17      -0.5894      2.00000
     18      -0.5696      2.00000
     19       8.0547      0.00000
     20       8.5603      0.00000
     21       9.1850      0.00000
     22       9.2110      0.00000
     23      11.7553      0.00000
     24      11.8922      0.00000
     25      13.5147      0.00000
     26      14.7802      0.00000
     27      15.4197      0.00000
     28      21.0869      0.00000
     29      22.7739      0.00000
     30      22.9283      0.00000
     31      23.5097      0.00000
     32      25.1728      0.00000

 k-point    44 :       0.2807    0.2807    0.0000
  band No.  band energies     occupation 
      1     -16.2146      2.00000
      2     -16.0656      2.00000
      3      -4.7119      2.00000
      4      -4.4659      2.00000
      5      -4.2320      2.00000
      6      -4.2108      2.00000
      7      -3.8070      2.00000
      8      -3.6519      2.00000
      9      -3.5423      2.00000
     10      -3.4581      2.00000
     11      -3.1623      2.00000
     12      -3.1464      2.00000
     13      -2.6933      2.00000
     14      -2.4433      2.00000
     15      -2.1289      2.00000
     16      -1.3753      2.00000
     17      -0.4662      2.00000
     18      -0.4397      2.00000
     19       7.6425      0.00000
     20       8.5677      0.00000
     21       9.2910      0.00000
     22       9.3718      0.00000
     23      11.8383      0.00000
     24      11.9991      0.00000
     25      13.1052      0.00000
     26      14.9923      0.00000
     27      15.7447      0.00000
     28      20.5162      0.00000
     29      22.8899      0.00000
     30      23.1803      0.00000
     31      23.6616      0.00000
     32      24.7174      0.00000

 k-point    45 :       0.2632    0.2632    0.0000
  band No.  band energies     occupation 
      1     -16.2601      2.00000
      2     -16.0566      2.00000
      3      -4.7096      2.00000
      4      -4.5600      2.00000
      5      -4.2735      2.00000
      6      -4.2262      2.00000
      7      -3.8335      2.00000
      8      -3.7168      2.00000
      9      -3.5524      2.00000
     10      -3.4384      2.00000
     11      -3.1497      2.00000
     12      -3.0276      2.00000
     13      -2.7775      2.00000
     14      -2.2726      2.00000
     15      -1.9561      2.00000
     16      -1.5401      2.00000
     17      -0.3457      2.00000
     18      -0.2911      2.00000
     19       7.2127      0.00000
     20       8.5810      0.00000
     21       9.3859      0.00000
     22       9.5239      0.00000
     23      11.9483      0.00000
     24      12.1294      0.00000
     25      12.7431      0.00000
     26      15.2278      0.00000
     27      16.0332      0.00000
     28      19.9708      0.00000
     29      22.9043      0.00000
     30      23.3025      0.00000
     31      23.9101      0.00000
     32      24.2759      0.00000

 k-point    46 :       0.2456    0.2456    0.0000
  band No.  band energies     occupation 
      1     -16.3121      2.00000
      2     -16.0543      2.00000
      3      -4.7056      2.00000
      4      -4.6568      2.00000
      5      -4.3141      2.00000
      6      -4.2328      2.00000
      7      -3.8669      2.00000
      8      -3.7812      2.00000
      9      -3.5600      2.00000
     10      -3.4189      2.00000
     11      -3.1531      2.00000
     12      -2.9111      2.00000
     13      -2.8557      2.00000
     14      -2.0956      2.00000
     15      -1.7455      2.00000
     16      -1.6819      2.00000
     17      -0.2137      2.00000
     18      -0.1445      2.00000
     19       6.7738      0.00000
     20       8.5961      0.00000
     21       9.5002      0.00000
     22       9.6258      0.00000
     23      12.0081      0.00000
     24      12.2875      0.00000
     25      12.5288      0.00000
     26      15.4641      0.00000
     27      16.2661      0.00000
     28      19.4534      0.00000
     29      22.8294      0.00000
     30      23.3063      0.00000
     31      23.8589      0.00000
     32      24.1882      0.00000

 k-point    47 :       0.2281    0.2281    0.0000
  band No.  band energies     occupation 
      1     -16.3698      2.00000
      2     -16.0560      2.00000
      3      -4.7407      2.00000
      4      -4.6986      2.00000
      5      -4.3444      2.00000
      6      -4.2521      2.00000
      7      -3.9079      2.00000
      8      -3.8383      2.00000
      9      -3.5643      2.00000
     10      -3.4038      2.00000
     11      -3.1620      2.00000
     12      -2.9296      2.00000
     13      -2.8100      2.00000
     14      -1.9167      2.00000
     15      -1.7759      2.00000
     16      -1.5074      2.00000
     17      -0.0752      2.00000
     18      -0.0020      2.00000
     19       6.3325      0.00000
     20       8.6105      0.00000
     21       9.6416      0.00000
     22       9.6612      0.00000
     23      11.9257      0.00000
     24      12.4760      0.00000
     25      12.5910      0.00000
     26      15.6880      0.00000
     27      16.4312      0.00000
     28      18.9673      0.00000
     29      22.7054      0.00000
     30      23.2108      0.00000
     31      23.4720      0.00000
     32      24.4250      0.00000

 k-point    48 :       0.2105    0.2105    0.0000
  band No.  band energies     occupation 
      1     -16.4310      2.00000
      2     -16.0630      2.00000
      3      -4.8049      2.00000
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      5      -4.3698      2.00000
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      9      -3.5650      2.00000
     10      -3.3960      2.00000
     11      -3.1716      2.00000
     12      -2.9872      2.00000
     13      -2.7576      2.00000
     14      -1.7950      2.00000
     15      -1.7326      2.00000
     16      -1.2566      2.00000
     17       0.0682      2.00000
     18       0.1371      2.00000
     19       5.8952      0.00000
     20       8.6152      0.00000
     21       9.6092      0.00000
     22       9.8120      0.00000
     23      11.8469      0.00000
     24      12.6980      0.00000
     25      12.8115      0.00000
     26      15.8859      0.00000
     27      16.5229      0.00000
     28      18.5156      0.00000
     29      22.5749      0.00000
     30      23.0339      0.00000
     31      23.1205      0.00000
     32      24.5759      0.00000

 k-point    49 :       0.1930    0.1930    0.0000
  band No.  band energies     occupation 
      1     -16.4963      2.00000
      2     -16.0753      2.00000
      3      -4.8477      2.00000
      4      -4.6769      2.00000
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     10      -3.3977      2.00000
     11      -3.1800      2.00000
     12      -3.0283      2.00000
     13      -2.7611      2.00000
     14      -1.7263      2.00000
     15      -1.5395      2.00000
     16      -1.0068      2.00000
     17       0.2098      2.00000
     18       0.2664      2.00000
     19       5.4637      0.00000
     20       8.5899      0.00000
     21       9.4795      0.00000
     22      10.0155      0.00000
     23      11.8729      0.00000
     24      12.9505      0.00000
     25      13.0873      0.00000
     26      16.0470      0.00000
     27      16.5402      0.00000
     28      18.1010      0.00000
     29      22.4646      0.00000
     30      22.8024      0.00000
     31      22.8191      0.00000
     32      24.6194      0.00000

 k-point    50 :       0.1754    0.1754    0.0000
  band No.  band energies     occupation 
      1     -16.5635      2.00000
      2     -16.0907      2.00000
      3      -4.8707      2.00000
      4      -4.6634      2.00000
      5      -4.4188      2.00000
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     10      -3.4070      2.00000
     11      -3.1866      2.00000
     12      -3.0508      2.00000
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     14      -1.5825      2.00000
     15      -1.3357      2.00000
     16      -0.7656      2.00000
     17       0.3487      2.00000
     18       0.3869      2.00000
     19       5.0394      0.00000
     20       8.5054      0.00000
     21       9.3292      0.00000
     22      10.2575      0.00000
     23      12.0077      0.00000
     24      13.2347      0.00000
     25      13.3854      0.00000
     26      16.1772      0.00000
     27      16.4866      0.00000
     28      17.7284      0.00000
     29      22.3316      0.00000
     30      22.5396      0.00000
     31      22.6431      0.00000
     32      24.5381      0.00000

 k-point    51 :       0.1579    0.1579    0.0000
  band No.  band energies     occupation 
      1     -16.6318      2.00000
      2     -16.1102      2.00000
      3      -4.8753      2.00000
      4      -4.6502      2.00000
      5      -4.4438      2.00000
      6      -4.3999      2.00000
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     10      -3.4192      2.00000
     11      -3.1918      2.00000
     12      -3.0594      2.00000
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     14      -1.3920      2.00000
     15      -1.1217      2.00000
     16      -0.5401      2.00000
     17       0.4796      2.00000
     18       0.4968      2.00000
     19       4.6245      0.00000
     20       8.3257      0.00000
     21       9.2181      0.00000
     22      10.5402      0.00000
     23      12.2261      0.00000
     24      13.5458      0.00000
     25      13.6778      0.00000
     26      16.2895      0.00000
     27      16.3733      0.00000
     28      17.4032      0.00000
     29      22.1133      0.00000
     30      22.2578      0.00000
     31      22.6662      0.00000
     32      24.3095      0.00000

 k-point    52 :       0.1404    0.1404    0.0000
  band No.  band energies     occupation 
      1     -16.6977      2.00000
      2     -16.1311      2.00000
      3      -4.8642      2.00000
      4      -4.6384      2.00000
      5      -4.4684      2.00000
      6      -4.4329      2.00000
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      9      -3.5303      2.00000
     10      -3.4293      2.00000
     11      -3.1959      2.00000
     12      -3.0624      2.00000
     13      -2.9187      2.00000
     14      -1.1714      2.00000
     15      -0.8967      2.00000
     16      -0.3324      2.00000
     17       0.5978      2.00000
     18       0.6023      2.00000
     19       4.2244      0.00000
     20       8.0614      0.00000
     21       9.1656      0.00000
     22      10.8674      0.00000
     23      12.5084      0.00000
     24      13.8779      0.00000
     25      13.9333      0.00000
     26      16.2168      0.00000
     27      16.4239      0.00000
     28      17.1343      0.00000
     29      21.8782      0.00000
     30      21.9576      0.00000
     31      22.8128      0.00000
     32      23.9297      0.00000

 k-point    53 :       0.1228    0.1228    0.0000
  band No.  band energies     occupation 
      1     -16.7602      2.00000
      2     -16.1540      2.00000
      3      -4.8410      2.00000
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      6      -4.4587      2.00000
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      9      -3.5144      2.00000
     10      -3.4354      2.00000
     11      -3.1993      2.00000
     12      -3.0721      2.00000
     13      -2.9574      2.00000
     14      -0.9347      2.00000
     15      -0.6639      2.00000
     16      -0.1480      2.00000
     17       0.6889      2.00000
     18       0.7135      2.00000
     19       3.8375      0.00000
     20       7.7497      0.00000
     21       9.1482      0.00000
     22      11.2358      0.00000
     23      12.8359      0.00000
     24      14.1185      0.00000
     25      14.2144      0.00000
     26      16.0316      0.00000
     27      16.6255      0.00000
     28      16.9333      0.00000
     29      21.6259      0.00000
     30      21.6544      0.00000
     31      23.0178      0.00000
     32      23.4297      0.00000

 k-point    54 :       0.1053    0.1053    0.0000
  band No.  band energies     occupation 
      1     -16.8174      2.00000
      2     -16.1766      2.00000
      3      -4.8090      2.00000
      4      -4.6276      2.00000
      5      -4.5166      2.00000
      6      -4.4762      2.00000
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      8      -4.3002      2.00000
      9      -3.4974      2.00000
     10      -3.4378      2.00000
     11      -3.2025      2.00000
     12      -3.0965      2.00000
     13      -2.9719      2.00000
     14      -0.6903      2.00000
     15      -0.4277      2.00000
     16       0.0154      2.00000
     17       0.7687      2.00000
     18       0.8141      2.00000
     19       3.4650      0.00000
     20       7.4257      0.00000
     21       9.1473      0.00000
     22      11.6436      0.00000
     23      13.1922      0.00000
     24      14.2226      0.00000
     25      14.5286      0.00000
     26      15.8354      0.00000
     27      16.8212      0.00000
     28      16.9270      0.00000
     29      21.2346      0.00000
     30      21.4453      0.00000
     31      22.8969      0.00000
     32      23.1739      0.00000

 k-point    55 :       0.0877    0.0877    0.0000
  band No.  band energies     occupation 
      1     -16.8693      2.00000
      2     -16.1978      2.00000
      3      -4.7733      2.00000
      4      -4.6308      2.00000
      5      -4.5390      2.00000
      6      -4.4937      2.00000
      7      -4.4234      2.00000
      8      -4.3462      2.00000
      9      -3.4803      2.00000
     10      -3.4377      2.00000
     11      -3.2055      2.00000
     12      -3.1284      2.00000
     13      -2.9707      2.00000
     14      -0.4497      2.00000
     15      -0.2004      2.00000
     16       0.1674      2.00000
     17       0.8381      2.00000
     18       0.8977      2.00000
     19       3.1049      0.00000
     20       7.1106      0.00000
     21       9.1521      0.00000
     22      12.0859      0.00000
     23      13.5470      0.00000
     24      14.2729      0.00000
     25      14.7808      0.00000
     26      15.6424      0.00000
     27      16.8264      0.00000
     28      17.3254      0.00000
     29      20.7581      0.00000
     30      21.2468      0.00000
     31      22.4251      0.00000
     32      23.0348      0.00000

 k-point    56 :       0.0702    0.0702    0.0000
  band No.  band energies     occupation 
      1     -16.9129      2.00000
      2     -16.2167      2.00000
      3      -4.7362      2.00000
      4      -4.6380      2.00000
      5      -4.5599      2.00000
      6      -4.5364      2.00000
      7      -4.4552      2.00000
      8      -4.3845      2.00000
      9      -3.4644      2.00000
     10      -3.4362      2.00000
     11      -3.2083      2.00000
     12      -3.1584      2.00000
     13      -2.9644      2.00000
     14      -0.2233      2.00000
     15      -0.0023      2.00000
     16       0.3304      2.00000
     17       0.8957      2.00000
     18       0.9670      2.00000
     19       2.7618      0.00000
     20       6.8209      0.00000
     21       9.1584      0.00000
     22      12.5494      0.00000
     23      13.8251      0.00000
     24      14.3596      0.00000
     25      14.9359      0.00000
     26      15.4708      0.00000
     27      16.9639      0.00000
     28      17.7931      0.00000
     29      20.2180      0.00000
     30      21.0538      0.00000
     31      22.0470      0.00000
     32      22.5845      0.00000

 k-point    57 :       0.0526    0.0526    0.0000
  band No.  band energies     occupation 
      1     -16.9489      2.00000
      2     -16.2324      2.00000
      3      -4.7029      2.00000
      4      -4.6470      2.00000
      5      -4.5901      2.00000
      6      -4.5785      2.00000
      7      -4.4585      2.00000
      8      -4.4145      2.00000
      9      -3.4506      2.00000
     10      -3.4342      2.00000
     11      -3.2110      2.00000
     12      -3.1830      2.00000
     13      -2.9576      2.00000
     14      -0.0239      2.00000
     15       0.1360      2.00000
     16       0.5283      2.00000
     17       0.9387      2.00000
     18       1.0190      2.00000
     19       2.4358      0.00000
     20       6.5725      0.00000
     21       9.1630      0.00000
     22      13.0136      0.00000
     23      13.9239      0.00000
     24      14.5897      0.00000
     25      14.9937      0.00000
     26      15.3313      0.00000
     27      17.1940      0.00000
     28      18.2879      0.00000
     29      19.6987      0.00000
     30      20.8678      0.00000
     31      21.7212      0.00000
     32      22.0761      0.00000

 k-point    58 :       0.0351    0.0351    0.0000
  band No.  band energies     occupation 
      1     -16.9745      2.00000
      2     -16.2443      2.00000
      3      -4.6752      2.00000
      4      -4.6585      2.00000
      5      -4.6287      2.00000
      6      -4.5936      2.00000
      7      -4.4564      2.00000
      8      -4.4358      2.00000
      9      -3.4399      2.00000
     10      -3.4324      2.00000
     11      -3.2132      2.00000
     12      -3.2008      2.00000
     13      -2.9522      2.00000
     14       0.1332      2.00000
     15       0.2176      2.00000
     16       0.7571      2.00000
     17       0.9706      2.00000
     18       1.0568      2.00000
     19       2.1350      0.00000
     20       6.3798      0.00000
     21       9.1664      0.00000
     22      13.4402      0.00000
     23      13.9192      0.00000
     24      14.8728      0.00000
     25      14.9836      0.00000
     26      15.2358      0.00000
     27      17.4090      0.00000
     28      18.7497      0.00000
     29      19.3253      0.00000
     30      20.7214      0.00000
     31      21.3815      0.00000
     32      21.6159      0.00000

 k-point    59 :       0.0175    0.0175    0.0000
  band No.  band energies     occupation 
      1     -16.9899      2.00000
      2     -16.2505      2.00000
      3      -4.6738      2.00000
      4      -4.6558      2.00000
      5      -4.6446      2.00000
      6      -4.6044      2.00000
      7      -4.4537      2.00000
      8      -4.4484      2.00000
      9      -3.4328      2.00000
     10      -3.4309      2.00000
     11      -3.2146      2.00000
     12      -3.2116      2.00000
     13      -2.9486      2.00000
     14       0.2389      2.00000
     15       0.2612      2.00000
     16       0.9708      2.00000
     17       0.9960      2.00000
     18       1.0783      2.00000
     19       1.8811      0.00000
     20       6.2573      0.00000
     21       9.1694      0.00000
     22      13.7636      0.00000
     23      13.8990      0.00000
     24      14.9441      0.00000
     25      15.0898      0.00000
     26      15.1855      0.00000
     27      17.4979      0.00000
     28      19.0850      0.00000
     29      19.1964      0.00000
     30      20.7034      0.00000
     31      21.0465      0.00000
     32      21.2173      0.00000

 k-point    60 :      -0.0000   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9947      2.00000
      2     -16.2530      2.00000
      3      -4.6811      2.00000
      4      -4.6480      2.00000
      5      -4.6479      2.00000
      6      -4.6090      2.00000
      7      -4.4527      2.00000
      8      -4.4527      2.00000
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     11      -3.2152      2.00000
     12      -3.2152      2.00000
     13      -2.9475      2.00000
     14       0.2744      2.00000
     15       0.2744      2.00000
     16       0.9978      2.00000
     17       1.0860      2.00000
     18       1.0861      2.00000
     19       1.7613      0.00000
     20       6.2154      0.00000
     21       9.1700      0.00000
     22      13.8902      0.00000
     23      13.8904      0.00000
     24      14.9217      0.00000
     25      15.1701      0.00000
     26      15.1702      0.00000
     27      17.5003      0.00000
     28      19.2032      0.00000
     29      19.2034      0.00000
     30      20.8851      0.00000
     31      20.8910      0.00000
     32      20.8912      0.00000

 k-point    61 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.9947      2.00000
      2     -16.2530      2.00000
      3      -4.6811      2.00000
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      9      -3.4305      2.00000
     10      -3.4305      2.00000
     11      -3.2152      2.00000
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     14       0.2744      2.00000
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     16       0.9978      2.00000
     17       1.0860      2.00000
     18       1.0861      2.00000
     19       1.7613      0.00000
     20       6.2154      0.00000
     21       9.1700      0.00000
     22      13.8902      0.00000
     23      13.8904      0.00000
     24      14.9217      0.00000
     25      15.1701      0.00000
     26      15.1702      0.00000
     27      17.5003      0.00000
     28      19.2032      0.00000
     29      19.2034      0.00000
     30      20.8851      0.00000
     31      20.8910      0.00000
     32      20.8912      0.00000

 k-point    62 :       0.0000    0.0000    0.0263
  band No.  band energies     occupation 
      1     -16.9935      2.00000
      2     -16.2543      2.00000
      3      -4.6842      2.00000
      4      -4.6478      2.00000
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      6      -4.6104      2.00000
      7      -4.4533      2.00000
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      9      -3.4300      2.00000
     10      -3.4300      2.00000
     11      -3.2154      2.00000
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     13      -2.9394      2.00000
     14       0.2758      2.00000
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     16       0.9716      2.00000
     17       1.0847      2.00000
     18       1.0847      2.00000
     19       1.7897      0.00000
     20       6.2092      0.00000
     21       9.1754      0.00000
     22      13.8902      0.00000
     23      13.8903      0.00000
     24      14.8930      0.00000
     25      15.1646      0.00000
     26      15.1647      0.00000
     27      17.5124      0.00000
     28      19.2109      0.00000
     29      19.2111      0.00000
     30      20.8804      0.00000
     31      20.9003      0.00000
     32      20.9005      0.00000

 k-point    63 :       0.0000    0.0000    0.0526
  band No.  band energies     occupation 
      1     -16.9910      2.00000
      2     -16.2587      2.00000
      3      -4.6937      2.00000
      4      -4.6477      2.00000
      5      -4.6477      2.00000
      6      -4.6152      2.00000
      7      -4.4549      2.00000
      8      -4.4548      2.00000
      9      -3.4286      2.00000
     10      -3.4286      2.00000
     11      -3.2160      2.00000
     12      -3.2160      2.00000
     13      -2.9154      2.00000
     14       0.2796      2.00000
     15       0.2796      2.00000
     16       0.8967      2.00000
     17       1.0796      2.00000
     18       1.0796      2.00000
     19       1.8659      0.00000
     20       6.1907      0.00000
     21       9.1888      0.00000
     22      13.8901      0.00000
     23      13.8903      0.00000
     24      14.8092      0.00000
     25      15.1482      0.00000
     26      15.1483      0.00000
     27      17.5472      0.00000
     28      19.2335      0.00000
     29      19.2338      0.00000
     30      20.8661      0.00000
     31      20.9279      0.00000
     32      20.9281      0.00000

 k-point    64 :       0.0000    0.0000    0.0789
  band No.  band energies     occupation 
      1     -16.9850      2.00000
      2     -16.2654      2.00000
      3      -4.7079      2.00000
      4      -4.6469      2.00000
      5      -4.6468      2.00000
      6      -4.6224      2.00000
      7      -4.4575      2.00000
      8      -4.4574      2.00000
      9      -3.4261      2.00000
     10      -3.4261      2.00000
     11      -3.2170      2.00000
     12      -3.2170      2.00000
     13      -2.8763      2.00000
     14       0.2865      2.00000
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     16       0.8010      2.00000
     17       1.0729      2.00000
     18       1.0729      2.00000
     19       1.9729      0.00000
     20       6.1602      0.00000
     21       9.2156      0.00000
     22      13.8903      0.00000
     23      13.8904      0.00000
     24      14.6776      0.00000
     25      15.1218      0.00000
     26      15.1219      0.00000
     27      17.6002      0.00000
     28      19.2716      0.00000
     29      19.2718      0.00000
     30      20.8418      0.00000
     31      20.9729      0.00000
     32      20.9731      0.00000

 k-point    65 :       0.0000    0.0000    0.1053
  band No.  band energies     occupation 
      1     -16.9768      2.00000
      2     -16.2747      2.00000
      3      -4.7262      2.00000
      4      -4.6457      2.00000
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      6      -4.6323      2.00000
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      8      -4.4609      2.00000
      9      -3.4226      2.00000
     10      -3.4226      2.00000
     11      -3.2185      2.00000
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     13      -2.8232      2.00000
     14       0.2962      2.00000
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     16       0.6912      2.00000
     17       1.0636      2.00000
     18       1.0636      2.00000
     19       2.0985      0.00000
     20       6.1180      0.00000
     21       9.2529      0.00000
     22      13.8907      0.00000
     23      13.8909      0.00000
     24      14.5070      0.00000
     25      15.0861      0.00000
     26      15.0862      0.00000
     27      17.6662      0.00000
     28      19.3243      0.00000
     29      19.3245      0.00000
     30      20.8067      0.00000
     31      21.0337      0.00000
     32      21.0339      0.00000

 k-point    66 :       0.0000    0.0000    0.1316
  band No.  band energies     occupation 
      1     -16.9667      2.00000
      2     -16.2858      2.00000
      3      -4.7472      2.00000
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     11      -3.2203      2.00000
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     14       0.3097      2.00000
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     18       1.0517      2.00000
     19       2.2353      0.00000
     20       6.0646      0.00000
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     22      13.8920      0.00000
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     24      14.3066      0.00000
     25      15.0422      0.00000
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     27      17.7408      0.00000
     28      19.3912      0.00000
     29      19.3914      0.00000
     30      20.7602      0.00000
     31      21.1080      0.00000
     32      21.1082      0.00000

 k-point    67 :       0.0000    0.0000    0.1579
  band No.  band energies     occupation 
      1     -16.9540      2.00000
      2     -16.3001      2.00000
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     11      -3.2226      2.00000
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     14       0.3246      2.00000
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     16       0.4486      2.00000
     17       1.0373      2.00000
     18       1.0373      2.00000
     19       2.3799      0.00000
     20       6.0004      0.00000
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     22      13.8941      0.00000
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     24      14.0844      0.00000
     25      14.9908      0.00000
     26      14.9909      0.00000
     27      17.8210      0.00000
     28      19.4716      0.00000
     29      19.4719      0.00000
     30      20.7015      0.00000
     31      21.1926      0.00000
     32      21.1928      0.00000

 k-point    68 :       0.0000    0.0000    0.1842
  band No.  band energies     occupation 
      1     -16.9390      2.00000
      2     -16.3166      2.00000
      3      -4.7938      2.00000
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     11      -3.2254      2.00000
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     14       0.3252      2.00000
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     17       1.0205      2.00000
     18       1.0205      2.00000
     19       2.5299      0.00000
     20       5.9260      0.00000
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     22      13.8472      0.00000
     23      13.8977      0.00000
     24      13.8978      0.00000
     25      14.9336      0.00000
     26      14.9337      0.00000
     27      17.9051      0.00000
     28      19.5649      0.00000
     29      19.5651      0.00000
     30      20.6303      0.00000
     31      21.2840      0.00000
     32      21.2842      0.00000

 k-point    69 :       0.0000    0.0000    0.2105
  band No.  band energies     occupation 
      1     -16.9220      2.00000
      2     -16.3353      2.00000
      3      -4.8169      2.00000
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     10      -3.4000      2.00000
     11      -3.2287      2.00000
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     17       1.0015      2.00000
     18       1.0015      2.00000
     19       2.6839      0.00000
     20       5.8420      0.00000
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     22      13.6002      0.00000
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     25      14.8717      0.00000
     26      14.8718      0.00000
     27      17.9923      0.00000
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     29      19.6703      0.00000
     30      20.5470      0.00000
     31      21.3780      0.00000
     32      21.3782      0.00000

 k-point    70 :       0.0000    0.0000    0.2368
  band No.  band energies     occupation 
      1     -16.9030      2.00000
      2     -16.3560      2.00000
      3      -4.8387      2.00000
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     11      -3.2326      2.00000
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     13      -2.3986      2.00000
     14       0.0757      2.00000
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     17       0.9803      2.00000
     18       0.9803      2.00000
     19       2.8410      0.00000
     20       5.7490      0.00000
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     22      13.3478      0.00000
     23      13.9107      0.00000
     24      13.9108      0.00000
     25      14.8065      0.00000
     26      14.8066      0.00000
     27      18.0825      0.00000
     28      19.7864      0.00000
     29      19.7866      0.00000
     30      20.4522      0.00000
     31      21.4694      0.00000
     32      21.4696      0.00000

 k-point    71 :       0.0000    0.0000    0.2632
  band No.  band energies     occupation 
      1     -16.8811      2.00000
      2     -16.3783      2.00000
      3      -4.8583      2.00000
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      5      -4.6296      2.00000
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      9      -3.3842      2.00000
     10      -3.3841      2.00000
     11      -3.2369      2.00000
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     17       0.9592      2.00000
     18       0.9593      2.00000
     19       3.0031      0.00000
     20       5.6477      0.00000
     21       9.6938      0.00000
     22      13.0940      0.00000
     23      13.9211      0.00000
     24      13.9212      0.00000
     25      14.7392      0.00000
     26      14.7393      0.00000
     27      18.1759      0.00000
     28      19.9142      0.00000
     29      19.9144      0.00000
     30      20.3472      0.00000
     31      21.5530      0.00000
     32      21.5531      0.00000

 k-point    72 :       0.0000    0.0000    0.2895
  band No.  band energies     occupation 
      1     -16.8585      2.00000
      2     -16.4026      2.00000
      3      -4.8756      2.00000
      4      -4.7564      2.00000
      5      -4.6255      2.00000
      6      -4.6254      2.00000
      7      -4.5067      2.00000
      8      -4.5067      2.00000
      9      -3.3756      2.00000
     10      -3.3756      2.00000
     11      -3.2419      2.00000
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     13      -2.1787      2.00000
     14      -0.1745      2.00000
     15       0.4342      2.00000
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     17       0.9341      2.00000
     18       0.9341      2.00000
     19       3.1640      0.00000
     20       5.5385      0.00000
     21       9.8016      0.00000
     22      12.8403      0.00000
     23      13.9344      0.00000
     24      13.9345      0.00000
     25      14.6707      0.00000
     26      14.6708      0.00000
     27      18.2726      0.00000
     28      20.0492      0.00000
     29      20.0494      0.00000
     30      20.2331      0.00000
     31      21.6218      0.00000
     32      21.6219      0.00000

 k-point    73 :       0.0000    0.0000    0.3158
  band No.  band energies     occupation 
      1     -16.8344      2.00000
      2     -16.4284      2.00000
      3      -4.8900      2.00000
      4      -4.7776      2.00000
      5      -4.6209      2.00000
      6      -4.6208      2.00000
      7      -4.5153      2.00000
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      9      -3.3666      2.00000
     10      -3.3666      2.00000
     11      -3.2474      2.00000
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     13      -2.0624      2.00000
     14      -0.3004      2.00000
     15       0.4617      2.00000
     16       0.4617      2.00000
     17       0.9072      2.00000
     18       0.9072      2.00000
     19       3.3259      0.00000
     20       5.4221      0.00000
     21       9.9194      0.00000
     22      12.5896      0.00000
     23      13.9510      0.00000
     24      13.9511      0.00000
     25      14.6021      0.00000
     26      14.6022      0.00000
     27      18.3730      0.00000
     28      20.1117      0.00000
     29      20.1917      0.00000
     30      20.1919      0.00000
     31      21.6700      0.00000
     32      21.6701      0.00000

 k-point    74 :       0.0000    0.0000    0.3421
  band No.  band energies     occupation 
      1     -16.8088      2.00000
      2     -16.4557      2.00000
      3      -4.9000      2.00000
      4      -4.7985      2.00000
      5      -4.6158      2.00000
      6      -4.6158      2.00000
      7      -4.5242      2.00000
      8      -4.5241      2.00000
      9      -3.3574      2.00000
     10      -3.3573      2.00000
     11      -3.2535      2.00000
     12      -3.2535      2.00000
     13      -1.9431      2.00000
     14      -0.4269      2.00000
     15       0.4906      2.00000
     16       0.4906      2.00000
     17       0.8787      2.00000
     18       0.8788      2.00000
     19       3.4889      0.00000
     20       5.2982      0.00000
     21      10.0463      0.00000
     22      12.3439      0.00000
     23      13.9714      0.00000
     24      13.9715      0.00000
     25      14.5342      0.00000
     26      14.5343      0.00000
     27      18.4774      0.00000
     28      19.9844      0.00000
     29      20.3403      0.00000
     30      20.3405      0.00000
     31      21.6924      0.00000
     32      21.6925      0.00000

 k-point    75 :       0.0000    0.0000    0.3684
  band No.  band energies     occupation 
      1     -16.7819      2.00000
      2     -16.4840      2.00000
      3      -4.9079      2.00000
      4      -4.8189      2.00000
      5      -4.6103      2.00000
      6      -4.6102      2.00000
      7      -4.5330      2.00000
      8      -4.5329      2.00000
      9      -3.3479      2.00000
     10      -3.3479      2.00000
     11      -3.2602      2.00000
     12      -3.2602      2.00000
     13      -1.8211      2.00000
     14      -0.5533      2.00000
     15       0.5209      2.00000
     16       0.5209      2.00000
     17       0.8490      2.00000
     18       0.8490      2.00000
     19       3.6512      0.00000
     20       5.1688      0.00000
     21      10.1838      0.00000
     22      12.1037      0.00000
     23      13.9957      0.00000
     24      13.9958      0.00000
     25      14.4681      0.00000
     26      14.4682      0.00000
     27      18.5858      0.00000
     28      19.8535      0.00000
     29      20.4934      0.00000
     30      20.4935      0.00000
     31      21.6857      0.00000
     32      21.6857      0.00000

 k-point    76 :       0.0000    0.0000    0.3947
  band No.  band energies     occupation 
      1     -16.7539      2.00000
      2     -16.5132      2.00000
      3      -4.9123      2.00000
      4      -4.8381      2.00000
      5      -4.6042      2.00000
      6      -4.6042      2.00000
      7      -4.5419      2.00000
      8      -4.5418      2.00000
      9      -3.3383      2.00000
     10      -3.3383      2.00000
     11      -3.2673      2.00000
     12      -3.2673      2.00000
     13      -1.6971      2.00000
     14      -0.6800      2.00000
     15       0.5523      2.00000
     16       0.5523      2.00000
     17       0.8181      2.00000
     18       0.8182      2.00000
     19       3.8131      0.00000
     20       5.0338      0.00000
     21      10.3315      0.00000
     22      11.8706      0.00000
     23      14.0241      0.00000
     24      14.0242      0.00000
     25      14.4043      0.00000
     26      14.4044      0.00000
     27      18.6984      0.00000
     28      19.7202      0.00000
     29      20.6491      0.00000
     30      20.6492      0.00000
     31      21.6487      0.00000
     32      21.6487      0.00000

 k-point    77 :       0.0000    0.0000    0.4211
  band No.  band energies     occupation 
      1     -16.7249      2.00000
      2     -16.5432      2.00000
      3      -4.9133      2.00000
      4      -4.8559      2.00000
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      9      -3.3287      2.00000
     10      -3.3286      2.00000
     11      -3.2750      2.00000
     12      -3.2750      2.00000
     13      -1.5717      2.00000
     14      -0.8070      2.00000
     15       0.5846      2.00000
     16       0.5846      2.00000
     17       0.7863      2.00000
     18       0.7864      2.00000
     19       3.9740      0.00000
     20       4.8938      0.00000
     21      10.4894      0.00000
     22      11.6454      0.00000
     23      14.0568      0.00000
     24      14.0569      0.00000
     25      14.3433      0.00000
     26      14.3434      0.00000
     27      18.8151      0.00000
     28      19.5859      0.00000
     29      20.8053      0.00000
     30      20.8054      0.00000
     31      21.5829      0.00000
     32      21.5830      0.00000

 k-point    78 :       0.0000    0.0000    0.4474
  band No.  band energies     occupation 
      1     -16.6963      2.00000
      2     -16.5740      2.00000
      3      -4.9111      2.00000
      4      -4.8720      2.00000
      5      -4.5913      2.00000
      6      -4.5912      2.00000
      7      -4.5597      2.00000
      8      -4.5596      2.00000
      9      -3.3192      2.00000
     10      -3.3192      2.00000
     11      -3.2832      2.00000
     12      -3.2832      2.00000
     13      -1.4452      2.00000
     14      -0.9359      2.00000
     15       0.6166      2.00000
     16       0.6166      2.00000
     17       0.7500      2.00000
     18       0.7501      2.00000
     19       4.1354      0.00000
     20       4.7488      0.00000
     21      10.6575      0.00000
     22      11.4287      0.00000
     23      14.0939      0.00000
     24      14.0940      0.00000
     25      14.2851      0.00000
     26      14.2852      0.00000
     27      18.9361      0.00000
     28      19.4519      0.00000
     29      20.9591      0.00000
     30      20.9592      0.00000
     31      21.4908      0.00000
     32      21.4908      0.00000

 k-point    79 :       0.0000    0.0000    0.4737
  band No.  band energies     occupation 
      1     -16.6661      2.00000
      2     -16.6046      2.00000
      3      -4.9055      2.00000
      4      -4.8858      2.00000
      5      -4.5839      2.00000
      6      -4.5839      2.00000
      7      -4.5681      2.00000
      8      -4.5680      2.00000
      9      -3.3098      2.00000
     10      -3.3098      2.00000
     11      -3.2917      2.00000
     12      -3.2917      2.00000
     13      -1.3181      2.00000
     14      -1.0633      2.00000
     15       0.6499      2.00000
     16       0.6499      2.00000
     17       0.7168      2.00000
     18       0.7169      2.00000
     19       4.2928      0.00000
     20       4.6004      0.00000
     21      10.8357      0.00000
     22      11.2212      0.00000
     23      14.1354      0.00000
     24      14.1355      0.00000
     25      14.2311      0.00000
     26      14.2312      0.00000
     27      19.0606      0.00000
     28      19.3192      0.00000
     29      21.1084      0.00000
     30      21.1085      0.00000
     31      21.3783      0.00000
     32      21.3784      0.00000

 k-point    80 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.6355      2.00000
      2     -16.6355      2.00000
      3      -4.8972      2.00000
      4      -4.8972      2.00000
      5      -4.5762      2.00000
      6      -4.5762      2.00000
      7      -4.5761      2.00000
      8      -4.5761      2.00000
      9      -3.3006      2.00000
     10      -3.3006      2.00000
     11      -3.3006      2.00000
     12      -3.3006      2.00000
     13      -1.1908      2.00000
     14      -1.1908      2.00000
     15       0.6834      2.00000
     16       0.6834      2.00000
     17       0.6834      2.00000
     18       0.6834      2.00000
     19       4.4477      0.00000
     20       4.4477      0.00000
     21      11.0231      0.00000
     22      11.0231      0.00000
     23      14.1811      0.00000
     24      14.1812      0.00000
     25      14.1813      0.00000
     26      14.1813      0.00000
     27      19.1884      0.00000
     28      19.1884      0.00000
     29      21.2494      0.00000
     30      21.2494      0.00000
     31      21.2495      0.00000
     32      21.2495      0.00000

 k-point    81 :       0.0000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.6355      2.00000
      2     -16.6355      2.00000
      3      -4.8972      2.00000
      4      -4.8972      2.00000
      5      -4.5762      2.00000
      6      -4.5762      2.00000
      7      -4.5761      2.00000
      8      -4.5761      2.00000
      9      -3.3006      2.00000
     10      -3.3006      2.00000
     11      -3.3006      2.00000
     12      -3.3006      2.00000
     13      -1.1908      2.00000
     14      -1.1908      2.00000
     15       0.6834      2.00000
     16       0.6834      2.00000
     17       0.6834      2.00000
     18       0.6834      2.00000
     19       4.4477      0.00000
     20       4.4477      0.00000
     21      11.0231      0.00000
     22      11.0231      0.00000
     23      14.1811      0.00000
     24      14.1812      0.00000
     25      14.1813      0.00000
     26      14.1813      0.00000
     27      19.1884      0.00000
     28      19.1884      0.00000
     29      21.2494      0.00000
     30      21.2494      0.00000
     31      21.2495      0.00000
     32      21.2495      0.00000

 k-point    82 :       0.0263    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.6322      2.00000
      2     -16.6322      2.00000
      3      -4.8993      2.00000
      4      -4.8993      2.00000
      5      -4.5742      2.00000
      6      -4.5742      2.00000
      7      -4.5732      2.00000
      8      -4.5732      2.00000
      9      -3.3007      2.00000
     10      -3.3007      2.00000
     11      -3.3007      2.00000
     12      -3.3007      2.00000
     13      -1.1903      2.00000
     14      -1.1903      2.00000
     15       0.6620      2.00000
     16       0.6620      2.00000
     17       0.6767      2.00000
     18       0.6767      2.00000
     19       4.4714      0.00000
     20       4.4714      0.00000
     21      11.0230      0.00000
     22      11.0230      0.00000
     23      14.1240      0.00000
     24      14.1240      0.00000
     25      14.1881      0.00000
     26      14.1881      0.00000
     27      19.2279      0.00000
     28      19.2279      0.00000
     29      21.2510      0.00000
     30      21.2510      0.00000
     31      21.2511      0.00000
     32      21.2511      0.00000

 k-point    83 :       0.0526    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.6233      2.00000
      2     -16.6233      2.00000
      3      -4.9058      2.00000
      4      -4.9058      2.00000
      5      -4.5685      2.00000
      6      -4.5685      2.00000
      7      -4.5651      2.00000
      8      -4.5651      2.00000
      9      -3.3012      2.00000
     10      -3.3012      2.00000
     11      -3.3009      2.00000
     12      -3.3009      2.00000
     13      -1.1894      2.00000
     14      -1.1894      2.00000
     15       0.5983      2.00000
     16       0.5983      2.00000
     17       0.6542      2.00000
     18       0.6542      2.00000
     19       4.5398      0.00000
     20       4.5398      0.00000
     21      11.0207      0.00000
     22      11.0207      0.00000
     23      13.9650      0.00000
     24      13.9650      0.00000
     25      14.2077      0.00000
     26      14.2077      0.00000
     27      19.3112      0.00000
     28      19.3112      0.00000
     29      21.2551      0.00000
     30      21.2552      0.00000
     31      21.2833      0.00000
     32      21.2833      0.00000

 k-point    84 :       0.0789    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.6086      2.00000
      2     -16.6086      2.00000
      3      -4.9165      2.00000
      4      -4.9165      2.00000
      5      -4.5588      2.00000
      6      -4.5588      2.00000
      7      -4.5519      2.00000
      8      -4.5519      2.00000
      9      -3.3019      2.00000
     10      -3.3019      2.00000
     11      -3.3012      2.00000
     12      -3.3012      2.00000
     13      -1.1899      2.00000
     14      -1.1899      2.00000
     15       0.5001      2.00000
     16       0.5001      2.00000
     17       0.6169      2.00000
     18       0.6169      2.00000
     19       4.6475      0.00000
     20       4.6475      0.00000
     21      11.0135      0.00000
     22      11.0135      0.00000
     23      13.7364      0.00000
     24      13.7364      0.00000
     25      14.2390      0.00000
     26      14.2390      0.00000
     27      19.3517      0.00000
     28      19.3517      0.00000
     29      21.2661      0.00000
     30      21.2661      0.00000
     31      21.4177      0.00000
     32      21.4177      0.00000

 k-point    85 :       0.1053    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.5885      2.00000
      2     -16.5885      2.00000
      3      -4.9315      2.00000
      4      -4.9315      2.00000
      5      -4.5450      2.00000
      6      -4.5450      2.00000
      7      -4.5333      2.00000
      8      -4.5333      2.00000
      9      -3.3027      2.00000
     10      -3.3027      2.00000
     11      -3.3014      2.00000
     12      -3.3014      2.00000
     13      -1.1939      2.00000
     14      -1.1939      2.00000
     15       0.3749      2.00000
     16       0.3749      2.00000
     17       0.5689      2.00000
     18       0.5689      2.00000
     19       4.7858      0.00000
     20       4.7858      0.00000
     21      10.9958      0.00000
     22      10.9958      0.00000
     23      13.4750      0.00000
     24      13.4750      0.00000
     25      14.2802      0.00000
     26      14.2802      0.00000
     27      19.2763      0.00000
     28      19.2763      0.00000
     29      21.2901      0.00000
     30      21.2901      0.00000
     31      21.7084      0.00000
     32      21.7084      0.00000

 k-point    86 :       0.1316    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.5637      2.00000
      2     -16.5637      2.00000
      3      -4.9498      2.00000
      4      -4.9498      2.00000
      5      -4.5269      2.00000
      6      -4.5269      2.00000
      7      -4.5105      2.00000
      8      -4.5105      2.00000
      9      -3.3034      2.00000
     10      -3.3034      2.00000
     11      -3.3015      2.00000
     12      -3.3015      2.00000
     13      -1.2055      2.00000
     14      -1.2055      2.00000
     15       0.2348      2.00000
     16       0.2348      2.00000
     17       0.5076      2.00000
     18       0.5076      2.00000
     19       4.9466      0.00000
     20       4.9466      0.00000
     21      10.9610      0.00000
     22      10.9610      0.00000
     23      13.2129      0.00000
     24      13.2129      0.00000
     25      14.3280      0.00000
     26      14.3280      0.00000
     27      19.0859      0.00000
     28      19.0859      0.00000
     29      21.3314      0.00000
     30      21.3314      0.00000
     31      22.1368      0.00000
     32      22.1368      0.00000

 k-point    87 :       0.1579    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.5337      2.00000
      2     -16.5337      2.00000
      3      -4.9700      2.00000
      4      -4.9700      2.00000
      5      -4.5040      2.00000
      6      -4.5040      2.00000
      7      -4.4834      2.00000
      8      -4.4834      2.00000
      9      -3.3036      2.00000
     10      -3.3036      2.00000
     11      -3.3009      2.00000
     12      -3.3009      2.00000
     13      -1.2293      2.00000
     14      -1.2293      2.00000
     15       0.0942      2.00000
     16       0.0942      2.00000
     17       0.4371      2.00000
     18       0.4371      2.00000
     19       5.1232      0.00000
     20       5.1232      0.00000
     21      10.9014      0.00000
     22      10.9014      0.00000
     23      12.9774      0.00000
     24      12.9774      0.00000
     25      14.3801      0.00000
     26      14.3801      0.00000
     27      18.8245      0.00000
     28      18.8245      0.00000
     29      21.3970      0.00000
     30      21.3970      0.00000
     31      22.6262      0.00000
     32      22.6262      0.00000

 k-point    88 :       0.1842    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.5000      2.00000
      2     -16.5000      2.00000
      3      -4.9914      2.00000
      4      -4.9914      2.00000
      5      -4.4772      2.00000
      6      -4.4772      2.00000
      7      -4.4530      2.00000
      8      -4.4530      2.00000
      9      -3.3031      2.00000
     10      -3.3031      2.00000
     11      -3.2996      2.00000
     12      -3.2996      2.00000
     13      -1.2722      2.00000
     14      -1.2722      2.00000
     15      -0.0384      2.00000
     16      -0.0384      2.00000
     17       0.3580      2.00000
     18       0.3580      2.00000
     19       5.3079      0.00000
     20       5.3079      0.00000
     21      10.8089      0.00000
     22      10.8089      0.00000
     23      12.7865      0.00000
     24      12.7865      0.00000
     25      14.4332      0.00000
     26      14.4332      0.00000
     27      18.5315      0.00000
     28      18.5315      0.00000
     29      21.4911      0.00000
     30      21.4911      0.00000
     31      23.0501      0.00000
     32      23.0501      0.00000

 k-point    89 :       0.2105    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.4641      2.00000
      2     -16.4641      2.00000
      3      -5.0133      2.00000
      4      -5.0133      2.00000
      5      -4.4470      2.00000
      6      -4.4470      2.00000
      7      -4.4201      2.00000
      8      -4.4201      2.00000
      9      -3.3016      2.00000
     10      -3.3016      2.00000
     11      -3.2975      2.00000
     12      -3.2975      2.00000
     13      -1.3411      2.00000
     14      -1.3411      2.00000
     15      -0.1527      2.00000
     16      -0.1527      2.00000
     17       0.2722      2.00000
     18       0.2722      2.00000
     19       5.4924      0.00000
     20       5.4924      0.00000
     21      10.6819      0.00000
     22      10.6819      0.00000
     23      12.6456      0.00000
     24      12.6456      0.00000
     25      14.4841      0.00000
     26      14.4841      0.00000
     27      18.2353      0.00000
     28      18.2353      0.00000
     29      21.6178      0.00000
     30      21.6178      0.00000
     31      23.2588      0.00000
     32      23.2588      0.00000

 k-point    90 :       0.2368    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.4261      2.00000
      2     -16.4261      2.00000
      3      -5.0343      2.00000
      4      -5.0343      2.00000
      5      -4.4138      2.00000
      6      -4.4138      2.00000
      7      -4.3855      2.00000
      8      -4.3855      2.00000
      9      -3.2988      2.00000
     10      -3.2988      2.00000
     11      -3.2942      2.00000
     12      -3.2942      2.00000
     13      -1.4396      2.00000
     14      -1.4396      2.00000
     15      -0.2394      2.00000
     16      -0.2394      2.00000
     17       0.1824      2.00000
     18       0.1824      2.00000
     19       5.6737      0.00000
     20       5.6737      0.00000
     21      10.5281      0.00000
     22      10.5281      0.00000
     23      12.5516      0.00000
     24      12.5516      0.00000
     25      14.5311      0.00000
     26      14.5311      0.00000
     27      17.9561      0.00000
     28      17.9561      0.00000
     29      21.7794      0.00000
     30      21.7794      0.00000
     31      23.2794      0.00000
     32      23.2794      0.00000

 k-point    91 :       0.2632    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.3875      2.00000
      2     -16.3875      2.00000
      3      -5.0538      2.00000
      4      -5.0538      2.00000
      5      -4.3777      2.00000
      6      -4.3777      2.00000
      7      -4.3509      2.00000
      8      -4.3509      2.00000
      9      -3.2945      2.00000
     10      -3.2945      2.00000
     11      -3.2893      2.00000
     12      -3.2893      2.00000
     13      -1.5663      2.00000
     14      -1.5663      2.00000
     15      -0.2979      2.00000
     16      -0.2979      2.00000
     17       0.0898      2.00000
     18       0.0898      2.00000
     19       5.8464      0.00000
     20       5.8464      0.00000
     21      10.3588      0.00000
     22      10.3588      0.00000
     23      12.4915      0.00000
     24      12.4915      0.00000
     25      14.5721      0.00000
     26      14.5721      0.00000
     27      17.7074      0.00000
     28      17.7074      0.00000
     29      21.9760      0.00000
     30      21.9760      0.00000
     31      23.2242      0.00000
     32      23.2242      0.00000

 k-point    92 :       0.2895    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.3488      2.00000
      2     -16.3488      2.00000
      3      -5.0706      2.00000
      4      -5.0706      2.00000
      5      -4.3394      2.00000
      6      -4.3394      2.00000
      7      -4.3165      2.00000
      8      -4.3165      2.00000
      9      -3.2885      2.00000
     10      -3.2885      2.00000
     11      -3.2824      2.00000
     12      -3.2824      2.00000
     13      -1.7139      2.00000
     14      -1.7139      2.00000
     15      -0.3311      2.00000
     16      -0.3311      2.00000
     17      -0.0033      2.00000
     18      -0.0033      2.00000
     19       6.0077      0.00000
     20       6.0077      0.00000
     21      10.1873      0.00000
     22      10.1873      0.00000
     23      12.4525      0.00000
     24      12.4525      0.00000
     25      14.6058      0.00000
     26      14.6058      0.00000
     27      17.4992      0.00000
     28      17.4992      0.00000
     29      22.2060      0.00000
     30      22.2060      0.00000
     31      23.1468      0.00000
     32      23.1468      0.00000

 k-point    93 :       0.3158    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.3111      2.00000
      2     -16.3111      2.00000
      3      -5.0843      2.00000
      4      -5.0843      2.00000
      5      -4.3000      2.00000
      6      -4.3000      2.00000
      7      -4.2832      2.00000
      8      -4.2832      2.00000
      9      -3.2809      2.00000
     10      -3.2809      2.00000
     11      -3.2733      2.00000
     12      -3.2733      2.00000
     13      -1.8738      2.00000
     14      -1.8738      2.00000
     15      -0.3466      2.00000
     16      -0.3466      2.00000
     17      -0.0925      2.00000
     18      -0.0925      2.00000
     19       6.1548      0.00000
     20       6.1548      0.00000
     21      10.0237      0.00000
     22      10.0237      0.00000
     23      12.4224      0.00000
     24      12.4224      0.00000
     25      14.6335      0.00000
     26      14.6335      0.00000
     27      17.3361      0.00000
     28      17.3361      0.00000
     29      22.4651      0.00000
     30      22.4651      0.00000
     31      23.0648      0.00000
     32      23.0648      0.00000

 k-point    94 :       0.3421    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.2757      2.00000
      2     -16.2757      2.00000
      3      -5.0947      2.00000
      4      -5.0947      2.00000
      5      -4.2600      2.00000
      6      -4.2600      2.00000
      7      -4.2524      2.00000
      8      -4.2524      2.00000
      9      -3.2718      2.00000
     10      -3.2718      2.00000
     11      -3.2610      2.00000
     12      -3.2610      2.00000
     13      -2.0374      2.00000
     14      -2.0374      2.00000
     15      -0.3501      2.00000
     16      -0.3501      2.00000
     17      -0.1768      2.00000
     18      -0.1768      2.00000
     19       6.2852      0.00000
     20       6.2852      0.00000
     21       9.8763      0.00000
     22       9.8763      0.00000
     23      12.3938      0.00000
     24      12.3938      0.00000
     25      14.6545      0.00000
     26      14.6545      0.00000
     27      17.2191      0.00000
     28      17.2191      0.00000
     29      22.7467      0.00000
     30      22.7467      0.00000
     31      22.9849      0.00000
     32      22.9849      0.00000

 k-point    95 :       0.3684    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.2440      2.00000
      2     -16.2440      2.00000
      3      -5.1022      2.00000
      4      -5.1022      2.00000
      5      -4.2251      2.00000
      6      -4.2251      2.00000
      7      -4.2212      2.00000
      8      -4.2212      2.00000
      9      -3.2619      2.00000
     10      -3.2619      2.00000
     11      -3.2454      2.00000
     12      -3.2454      2.00000
     13      -2.1974      2.00000
     14      -2.1974      2.00000
     15      -0.3477      2.00000
     16      -0.3477      2.00000
     17      -0.2537      2.00000
     18      -0.2537      2.00000
     19       6.3960      0.00000
     20       6.3960      0.00000
     21       9.7484      0.00000
     22       9.7484      0.00000
     23      12.3618      0.00000
     24      12.3618      0.00000
     25      14.6696      0.00000
     26      14.6696      0.00000
     27      17.1436      0.00000
     28      17.1436      0.00000
     29      22.9091      0.00000
     30      22.9091      0.00000
     31      23.0403      0.00000
     32      23.0403      0.00000

 k-point    96 :       0.3947    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.2162      2.00000
      2     -16.2162      2.00000
      3      -5.1068      2.00000
      4      -5.1068      2.00000
      5      -4.2018      2.00000
      6      -4.2018      2.00000
      7      -4.1846      2.00000
      8      -4.1846      2.00000
      9      -3.2517      2.00000
     10      -3.2517      2.00000
     11      -3.2257      2.00000
     12      -3.2257      2.00000
     13      -2.3470      2.00000
     14      -2.3470      2.00000
     15      -0.3412      2.00000
     16      -0.3412      2.00000
     17      -0.3202      2.00000
     18      -0.3202      2.00000
     19       6.4875      0.00000
     20       6.4875      0.00000
     21       9.6450      0.00000
     22       9.6450      0.00000
     23      12.3284      0.00000
     24      12.3284      0.00000
     25      14.6804      0.00000
     26      14.6804      0.00000
     27      17.1041      0.00000
     28      17.1041      0.00000
     29      22.8414      0.00000
     30      22.8414      0.00000
     31      23.3326      0.00000
     32      23.3326      0.00000

 k-point    97 :       0.4211    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.1937      2.00000
      2     -16.1937      2.00000
      3      -5.1096      2.00000
      4      -5.1096      2.00000
      5      -4.1832      2.00000
      6      -4.1832      2.00000
      7      -4.1525      2.00000
      8      -4.1525      2.00000
      9      -3.2423      2.00000
     10      -3.2423      2.00000
     11      -3.2021      2.00000
     12      -3.2021      2.00000
     13      -2.4799      2.00000
     14      -2.4799      2.00000
     15      -0.3749      2.00000
     16      -0.3749      2.00000
     17      -0.3337      2.00000
     18      -0.3337      2.00000
     19       6.5587      0.00000
     20       6.5587      0.00000
     21       9.5639      0.00000
     22       9.5639      0.00000
     23      12.2955      0.00000
     24      12.2955      0.00000
     25      14.6874      0.00000
     26      14.6874      0.00000
     27      17.0897      0.00000
     28      17.0897      0.00000
     29      22.7847      0.00000
     30      22.7847      0.00000
     31      23.6041      0.00000
     32      23.6041      0.00000

 k-point    98 :       0.4474    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.1774      2.00000
      2     -16.1774      2.00000
      3      -5.1112      2.00000
      4      -5.1112      2.00000
      5      -4.1697      2.00000
      6      -4.1697      2.00000
      7      -4.1274      2.00000
      8      -4.1274      2.00000
      9      -3.2346      2.00000
     10      -3.2346      2.00000
     11      -3.1765      2.00000
     12      -3.1765      2.00000
     13      -2.5891      2.00000
     14      -2.5891      2.00000
     15      -0.4148      2.00000
     16      -0.4148      2.00000
     17      -0.3275      2.00000
     18      -0.3275      2.00000
     19       6.6092      0.00000
     20       6.6092      0.00000
     21       9.5034      0.00000
     22       9.5034      0.00000
     23      12.2677      0.00000
     24      12.2677      0.00000
     25      14.6922      0.00000
     26      14.6922      0.00000
     27      17.0887      0.00000
     28      17.0887      0.00000
     29      22.7403      0.00000
     30      22.7403      0.00000
     31      23.8312      0.00000
     32      23.8312      0.00000

 k-point    99 :       0.4737    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.1673      2.00000
      2     -16.1673      2.00000
      3      -5.1117      2.00000
      4      -5.1117      2.00000
      5      -4.1615      2.00000
      6      -4.1615      2.00000
      7      -4.1111      2.00000
      8      -4.1111      2.00000
      9      -3.2296      2.00000
     10      -3.2296      2.00000
     11      -3.1543      2.00000
     12      -3.1543      2.00000
     13      -2.6632      2.00000
     14      -2.6632      2.00000
     15      -0.4400      2.00000
     16      -0.4400      2.00000
     17      -0.3235      2.00000
     18      -0.3235      2.00000
     19       6.6396      0.00000
     20       6.6396      0.00000
     21       9.4692      0.00000
     22       9.4692      0.00000
     23      12.2492      0.00000
     24      12.2492      0.00000
     25      14.6944      0.00000
     26      14.6944      0.00000
     27      17.0926      0.00000
     28      17.0926      0.00000
     29      22.7124      0.00000
     30      22.7124      0.00000
     31      23.9841      0.00000
     32      23.9841      0.00000

 k-point   100 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.1633      2.00000
      2     -16.1633      2.00000
      3      -5.1114      2.00000
      4      -5.1114      2.00000
      5      -4.1587      2.00000
      6      -4.1587      2.00000
      7      -4.1052      2.00000
      8      -4.1052      2.00000
      9      -3.2279      2.00000
     10      -3.2279      2.00000
     11      -3.1450      2.00000
     12      -3.1450      2.00000
     13      -2.6901      2.00000
     14      -2.6901      2.00000
     15      -0.4482      2.00000
     16      -0.4482      2.00000
     17      -0.3203      2.00000
     18      -0.3203      2.00000
     19       6.6499      0.00000
     20       6.6499      0.00000
     21       9.4594      0.00000
     22       9.4594      0.00000
     23      12.2429      0.00000
     24      12.2429      0.00000
     25      14.6954      0.00000
     26      14.6954      0.00000
     27      17.0959      0.00000
     28      17.0959      0.00000
     29      22.7049      0.00000
     30      22.7049      0.00000
     31      24.0388      0.00000
     32      24.0388      0.00000

 k-point   101 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.1633      2.00000
      2     -16.1633      2.00000
      3      -5.1114      2.00000
      4      -5.1114      2.00000
      5      -4.1587      2.00000
      6      -4.1587      2.00000
      7      -4.1052      2.00000
      8      -4.1052      2.00000
      9      -3.2279      2.00000
     10      -3.2279      2.00000
     11      -3.1450      2.00000
     12      -3.1450      2.00000
     13      -2.6901      2.00000
     14      -2.6901      2.00000
     15      -0.4482      2.00000
     16      -0.4482      2.00000
     17      -0.3203      2.00000
     18      -0.3203      2.00000
     19       6.6499      0.00000
     20       6.6499      0.00000
     21       9.4594      0.00000
     22       9.4594      0.00000
     23      12.2429      0.00000
     24      12.2429      0.00000
     25      14.6954      0.00000
     26      14.6954      0.00000
     27      17.0959      0.00000
     28      17.0959      0.00000
     29      22.7049      0.00000
     30      22.7049      0.00000
     31      24.0388      0.00000
     32      24.0388      0.00000

 k-point   102 :       0.4912    0.0175    0.5000
  band No.  band energies     occupation 
      1     -16.1633      2.00000
      2     -16.1633      2.00000
      3      -5.1094      2.00000
      4      -5.1094      2.00000
      5      -4.1618      2.00000
      6      -4.1618      2.00000
      7      -4.1030      2.00000
      8      -4.1030      2.00000
      9      -3.2298      2.00000
     10      -3.2298      2.00000
     11      -3.1424      2.00000
     12      -3.1424      2.00000
     13      -2.6897      2.00000
     14      -2.6897      2.00000
     15      -0.4628      2.00000
     16      -0.4628      2.00000
     17      -0.3145      2.00000
     18      -0.3145      2.00000
     19       6.6598      0.00000
     20       6.6598      0.00000
     21       9.4599      0.00000
     22       9.4599      0.00000
     23      12.2255      0.00000
     24      12.2255      0.00000
     25      14.7042      0.00000
     26      14.7042      0.00000
     27      17.1011      0.00000
     28      17.1011      0.00000
     29      22.7133      0.00000
     30      22.7133      0.00000
     31      23.9872      0.00000
     32      23.9872      0.00000

 k-point   103 :       0.4825    0.0351    0.5000
  band No.  band energies     occupation 
      1     -16.1625      2.00000
      2     -16.1625      2.00000
      3      -5.1035      2.00000
      4      -5.1035      2.00000
      5      -4.1698      2.00000
      6      -4.1698      2.00000
      7      -4.0971      2.00000
      8      -4.0971      2.00000
      9      -3.2349      2.00000
     10      -3.2349      2.00000
     11      -3.1354      2.00000
     12      -3.1354      2.00000
     13      -2.6885      2.00000
     14      -2.6885      2.00000
     15      -0.4985      2.00000
     16      -0.4985      2.00000
     17      -0.3022      2.00000
     18      -0.3022      2.00000
     19       6.6891      0.00000
     20       6.6891      0.00000
     21       9.4616      0.00000
     22       9.4616      0.00000
     23      12.1743      0.00000
     24      12.1743      0.00000
     25      14.7327      0.00000
     26      14.7327      0.00000
     27      17.1166      0.00000
     28      17.1166      0.00000
     29      22.7385      0.00000
     30      22.7385      0.00000
     31      23.8490      0.00000
     32      23.8490      0.00000

 k-point   104 :       0.4737    0.0526    0.5000
  band No.  band energies     occupation 
      1     -16.1604      2.00000
      2     -16.1604      2.00000
      3      -5.0932      2.00000
      4      -5.0932      2.00000
      5      -4.1809      2.00000
      6      -4.1809      2.00000
      7      -4.0890      2.00000
      8      -4.0890      2.00000
      9      -3.2422      2.00000
     10      -3.2422      2.00000
     11      -3.1249      2.00000
     12      -3.1249      2.00000
     13      -2.6863      2.00000
     14      -2.6863      2.00000
     15      -0.5487      2.00000
     16      -0.5487      2.00000
     17      -0.2871      2.00000
     18      -0.2871      2.00000
     19       6.7378      0.00000
     20       6.7378      0.00000
     21       9.4666      0.00000
     22       9.4666      0.00000
     23      12.0926      0.00000
     24      12.0926      0.00000
     25      14.7791      0.00000
     26      14.7791      0.00000
     27      17.1431      0.00000
     28      17.1431      0.00000
     29      22.7797      0.00000
     30      22.7797      0.00000
     31      23.6537      0.00000
     32      23.6537      0.00000

 k-point   105 :       0.4649    0.0702    0.5000
  band No.  band energies     occupation 
      1     -16.1581      2.00000
      2     -16.1581      2.00000
      3      -5.0798      2.00000
      4      -5.0798      2.00000
      5      -4.1943      2.00000
      6      -4.1943      2.00000
      7      -4.0799      2.00000
      8      -4.0799      2.00000
      9      -3.2507      2.00000
     10      -3.2507      2.00000
     11      -3.1121      2.00000
     12      -3.1121      2.00000
     13      -2.6835      2.00000
     14      -2.6835      2.00000
     15      -0.6100      2.00000
     16      -0.6100      2.00000
     17      -0.2737      2.00000
     18      -0.2737      2.00000
     19       6.8044      0.00000
     20       6.8044      0.00000
     21       9.4687      0.00000
     22       9.4687      0.00000
     23      11.9836      0.00000
     24      11.9836      0.00000
     25      14.8412      0.00000
     26      14.8412      0.00000
     27      17.1756      0.00000
     28      17.1756      0.00000
     29      22.8235      0.00000
     30      22.8235      0.00000
     31      23.4364      0.00000
     32      23.4364      0.00000

 k-point   106 :       0.4561    0.0877    0.5000
  band No.  band energies     occupation 
      1     -16.1555      2.00000
      2     -16.1555      2.00000
      3      -5.0623      2.00000
      4      -5.0623      2.00000
      5      -4.2096      2.00000
      6      -4.2096      2.00000
      7      -4.0705      2.00000
      8      -4.0705      2.00000
      9      -3.2602      2.00000
     10      -3.2602      2.00000
     11      -3.0976      2.00000
     12      -3.0976      2.00000
     13      -2.6800      2.00000
     14      -2.6800      2.00000
     15      -0.6826      2.00000
     16      -0.6826      2.00000
     17      -0.2624      2.00000
     18      -0.2624      2.00000
     19       6.8876      0.00000
     20       6.8876      0.00000
     21       9.4735      0.00000
     22       9.4735      0.00000
     23      11.8510      0.00000
     24      11.8510      0.00000
     25      14.9159      0.00000
     26      14.9159      0.00000
     27      17.2123      0.00000
     28      17.2123      0.00000
     29      22.8262      0.00000
     30      22.8262      0.00000
     31      23.2579      0.00000
     32      23.2579      0.00000

 k-point   107 :       0.4474    0.1053    0.5000
  band No.  band energies     occupation 
      1     -16.1522      2.00000
      2     -16.1522      2.00000
      3      -5.0415      2.00000
      4      -5.0415      2.00000
      5      -4.2263      2.00000
      6      -4.2263      2.00000
      7      -4.0600      2.00000
      8      -4.0600      2.00000
      9      -3.2702      2.00000
     10      -3.2702      2.00000
     11      -3.0817      2.00000
     12      -3.0817      2.00000
     13      -2.6758      2.00000
     14      -2.6758      2.00000
     15      -0.7624      2.00000
     16      -0.7623      2.00000
     17      -0.2524      2.00000
     18      -0.2524      2.00000
     19       6.9858      0.00000
     20       6.9858      0.00000
     21       9.4789      0.00000
     22       9.4789      0.00000
     23      11.6999      0.00000
     24      11.6999      0.00000
     25      15.0042      0.00000
     26      15.0042      0.00000
     27      17.2507      0.00000
     28      17.2507      0.00000
     29      22.6950      0.00000
     30      22.6950      0.00000
     31      23.2235      0.00000
     32      23.2235      0.00000

 k-point   108 :       0.4386    0.1228    0.5000
  band No.  band energies     occupation 
      1     -16.1483      2.00000
      2     -16.1483      2.00000
      3      -5.0175      2.00000
      4      -5.0175      2.00000
      5      -4.2442      2.00000
      6      -4.2442      2.00000
      7      -4.0488      2.00000
      8      -4.0488      2.00000
      9      -3.2809      2.00000
     10      -3.2809      2.00000
     11      -3.0650      2.00000
     12      -3.0650      2.00000
     13      -2.6711      2.00000
     14      -2.6711      2.00000
     15      -0.8485      2.00000
     16      -0.8485      2.00000
     17      -0.2437      2.00000
     18      -0.2437      2.00000
     19       7.0976      0.00000
     20       7.0976      0.00000
     21       9.4847      0.00000
     22       9.4847      0.00000
     23      11.5342      0.00000
     24      11.5342      0.00000
     25      15.1038      0.00000
     26      15.1038      0.00000
     27      17.2875      0.00000
     28      17.2875      0.00000
     29      22.4639      0.00000
     30      22.4639      0.00000
     31      23.3049      0.00000
     32      23.3049      0.00000

 k-point   109 :       0.4298    0.1404    0.5000
  band No.  band energies     occupation 
      1     -16.1436      2.00000
      2     -16.1436      2.00000
      3      -4.9907      2.00000
      4      -4.9907      2.00000
      5      -4.2630      2.00000
      6      -4.2630      2.00000
      7      -4.0362      2.00000
      8      -4.0362      2.00000
      9      -3.2922      2.00000
     10      -3.2922      2.00000
     11      -3.0474      2.00000
     12      -3.0474      2.00000
     13      -2.6657      2.00000
     14      -2.6657      2.00000
     15      -0.9385      2.00000
     16      -0.9385      2.00000
     17      -0.2351      2.00000
     18      -0.2351      2.00000
     19       7.2219      0.00000
     20       7.2219      0.00000
     21       9.4910      0.00000
     22       9.4910      0.00000
     23      11.3583      0.00000
     24      11.3583      0.00000
     25      15.2139      0.00000
     26      15.2139      0.00000
     27      17.3208      0.00000
     28      17.3208      0.00000
     29      22.2082      0.00000
     30      22.2082      0.00000
     31      23.4326      0.00000
     32      23.4326      0.00000

 k-point   110 :       0.4211    0.1579    0.5000
  band No.  band energies     occupation 
      1     -16.1395      2.00000
      2     -16.1395      2.00000
      3      -4.9619      2.00000
      4      -4.9619      2.00000
      5      -4.2834      2.00000
      6      -4.2834      2.00000
      7      -4.0231      2.00000
      8      -4.0231      2.00000
      9      -3.3044      2.00000
     10      -3.3044      2.00000
     11      -3.0295      2.00000
     12      -3.0295      2.00000
     13      -2.6604      2.00000
     14      -2.6604      2.00000
     15      -1.0320      2.00000
     16      -1.0320      2.00000
     17      -0.2284      2.00000
     18      -0.2284      2.00000
     19       7.3560      0.00000
     20       7.3560      0.00000
     21       9.4937      0.00000
     22       9.4937      0.00000
     23      11.1740      0.00000
     24      11.1740      0.00000
     25      15.3322      0.00000
     26      15.3322      0.00000
     27      17.3452      0.00000
     28      17.3452      0.00000
     29      21.9493      0.00000
     30      21.9493      0.00000
     31      23.5824      0.00000
     32      23.5824      0.00000

 k-point   111 :       0.4123    0.1754    0.5000
  band No.  band energies     occupation 
      1     -16.1349      2.00000
      2     -16.1349      2.00000
      3      -4.9310      2.00000
      4      -4.9310      2.00000
      5      -4.3046      2.00000
      6      -4.3046      2.00000
      7      -4.0087      2.00000
      8      -4.0087      2.00000
      9      -3.3173      2.00000
     10      -3.3173      2.00000
     11      -3.0113      2.00000
     12      -3.0113      2.00000
     13      -2.6548      2.00000
     14      -2.6548      2.00000
     15      -1.1260      2.00000
     16      -1.1260      2.00000
     17      -0.2224      2.00000
     18      -0.2224      2.00000
     19       7.4983      0.00000
     20       7.4983      0.00000
     21       9.4973      0.00000
     22       9.4973      0.00000
     23      10.9850      0.00000
     24      10.9850      0.00000
     25      15.4596      0.00000
     26      15.4596      0.00000
     27      17.3613      0.00000
     28      17.3613      0.00000
     29      21.6988      0.00000
     30      21.6988      0.00000
     31      23.7459      0.00000
     32      23.7459      0.00000

 k-point   112 :       0.4035    0.1930    0.5000
  band No.  band energies     occupation 
      1     -16.1309      2.00000
      2     -16.1309      2.00000
      3      -4.8990      2.00000
      4      -4.8990      2.00000
      5      -4.3267      2.00000
      6      -4.3267      2.00000
      7      -3.9933      2.00000
      8      -3.9933      2.00000
      9      -3.3313      2.00000
     10      -3.3313      2.00000
     11      -2.9932      2.00000
     12      -2.9932      2.00000
     13      -2.6494      2.00000
     14      -2.6494      2.00000
     15      -1.2190      2.00000
     16      -1.2190      2.00000
     17      -0.2194      2.00000
     18      -0.2194      2.00000
     19       7.6476      0.00000
     20       7.6476      0.00000
     21       9.4976      0.00000
     22       9.4976      0.00000
     23      10.7937      0.00000
     24      10.7937      0.00000
     25      15.5937      0.00000
     26      15.5937      0.00000
     27      17.3646      0.00000
     28      17.3646      0.00000
     29      21.4604      0.00000
     30      21.4604      0.00000
     31      23.9149      0.00000
     32      23.9149      0.00000

 k-point   113 :       0.3947    0.2105    0.5000
  band No.  band energies     occupation 
      1     -16.1262      2.00000
      2     -16.1262      2.00000
      3      -4.8661      2.00000
      4      -4.8661      2.00000
      5      -4.3490      2.00000
      6      -4.3490      2.00000
      7      -3.9765      2.00000
      8      -3.9765      2.00000
      9      -3.3460      2.00000
     10      -3.3460      2.00000
     11      -2.9753      2.00000
     12      -2.9753      2.00000
     13      -2.6443      2.00000
     14      -2.6443      2.00000
     15      -1.3073      2.00000
     16      -1.3073      2.00000
     17      -0.2146      2.00000
     18      -0.2146      2.00000
     19       7.8031      0.00000
     20       7.8031      0.00000
     21       9.4948      0.00000
     22       9.4948      0.00000
     23      10.6059      0.00000
     24      10.6059      0.00000
     25      15.7341      0.00000
     26      15.7341      0.00000
     27      17.3566      0.00000
     28      17.3567      0.00000
     29      21.2413      0.00000
     30      21.2413      0.00000
     31      24.0877      0.00000
     32      24.0877      0.00000

 k-point   114 :       0.3860    0.2281    0.5000
  band No.  band energies     occupation 
      1     -16.1216      2.00000
      2     -16.1216      2.00000
      3      -4.8332      2.00000
      4      -4.8332      2.00000
      5      -4.3714      2.00000
      6      -4.3714      2.00000
      7      -3.9587      2.00000
      8      -3.9587      2.00000
      9      -3.3613      2.00000
     10      -3.3613      2.00000
     11      -2.9580      2.00000
     12      -2.9580      2.00000
     13      -2.6401      2.00000
     14      -2.6401      2.00000
     15      -1.3895      2.00000
     16      -1.3895      2.00000
     17      -0.2098      2.00000
     18      -0.2098      2.00000
     19       7.9633      0.00000
     20       7.9633      0.00000
     21       9.4851      0.00000
     22       9.4851      0.00000
     23      10.4245      0.00000
     24      10.4245      0.00000
     25      15.8789      0.00000
     26      15.8789      0.00000
     27      17.3350      0.00000
     28      17.3350      0.00000
     29      21.0442      0.00000
     30      21.0442      0.00000
     31      24.2555      0.00000
     32      24.2555      0.00000

 k-point   115 :       0.3772    0.2456    0.5000
  band No.  band energies     occupation 
      1     -16.1175      2.00000
      2     -16.1175      2.00000
      3      -4.8015      2.00000
      4      -4.8015      2.00000
      5      -4.3936      2.00000
      6      -4.3936      2.00000
      7      -3.9405      2.00000
      8      -3.9405      2.00000
      9      -3.3771      2.00000
     10      -3.3771      2.00000
     11      -2.9417      2.00000
     12      -2.9417      2.00000
     13      -2.6372      2.00000
     14      -2.6372      2.00000
     15      -1.4637      2.00000
     16      -1.4637      2.00000
     17      -0.2061      2.00000
     18      -0.2061      2.00000
     19       8.1264      0.00000
     20       8.1264      0.00000
     21       9.4633      0.00000
     22       9.4633      0.00000
     23      10.2556      0.00000
     24      10.2556      0.00000
     25      16.0255      0.00000
     26      16.0255      0.00000
     27      17.2972      0.00000
     28      17.2972      0.00000
     29      20.8719      0.00000
     30      20.8719      0.00000
     31      24.4111      0.00000
     32      24.4111      0.00000

 k-point   116 :       0.3684    0.2632    0.5000
  band No.  band energies     occupation 
      1     -16.1138      2.00000
      2     -16.1138      2.00000
      3      -4.7718      2.00000
      4      -4.7718      2.00000
      5      -4.4146      2.00000
      6      -4.4146      2.00000
      7      -3.9225      2.00000
      8      -3.9225      2.00000
      9      -3.3925      2.00000
     10      -3.3925      2.00000
     11      -2.9268      2.00000
     12      -2.9268      2.00000
     13      -2.6362      2.00000
     14      -2.6362      2.00000
     15      -1.5274      2.00000
     16      -1.5274      2.00000
     17      -0.2030      2.00000
     18      -0.2030      2.00000
     19       8.2918      0.00000
     20       8.2918      0.00000
     21       9.4216      0.00000
     22       9.4216      0.00000
     23      10.1088      0.00000
     24      10.1088      0.00000
     25      16.1715      0.00000
     26      16.1715      0.00000
     27      17.2439      0.00000
     28      17.2439      0.00000
     29      20.7280      0.00000
     30      20.7280      0.00000
     31      24.5473      0.00000
     32      24.5473      0.00000

 k-point   117 :       0.3596    0.2807    0.5000
  band No.  band energies     occupation 
      1     -16.1110      2.00000
      2     -16.1110      2.00000
      3      -4.7457      2.00000
      4      -4.7457      2.00000
      5      -4.4337      2.00000
      6      -4.4337      2.00000
      7      -3.9060      2.00000
      8      -3.9060      2.00000
      9      -3.4068      2.00000
     10      -3.4068      2.00000
     11      -2.9136      2.00000
     12      -2.9136      2.00000
     13      -2.6371      2.00000
     14      -2.6371      2.00000
     15      -1.5789      2.00000
     16      -1.5789      2.00000
     17      -0.2005      2.00000
     18      -0.2005      2.00000
     19       8.4585      0.00000
     20       8.4585      0.00000
     21       9.3499      0.00000
     22       9.3499      0.00000
     23       9.9948      0.00000
     24       9.9948      0.00000
     25      16.3130      0.00000
     26      16.3130      0.00000
     27      17.1764      0.00000
     28      17.1764      0.00000
     29      20.6147      0.00000
     30      20.6147      0.00000
     31      24.6569      0.00000
     32      24.6569      0.00000

 k-point   118 :       0.3509    0.2982    0.5000
  band No.  band energies     occupation 
      1     -16.1086      2.00000
      2     -16.1086      2.00000
      3      -4.7248      2.00000
      4      -4.7248      2.00000
      5      -4.4493      2.00000
      6      -4.4493      2.00000
      7      -3.8921      2.00000
      8      -3.8921      2.00000
      9      -3.4187      2.00000
     10      -3.4187      2.00000
     11      -2.9029      2.00000
     12      -2.9029      2.00000
     13      -2.6394      2.00000
     14      -2.6394      2.00000
     15      -1.6162      2.00000
     16      -1.6162      2.00000
     17      -0.1987      2.00000
     18      -0.1987      2.00000
     19       8.6252      0.00000
     20       8.6252      0.00000
     21       9.2438      0.00000
     22       9.2438      0.00000
     23       9.9209      0.00000
     24       9.9209      0.00000
     25      16.4433      0.00000
     26      16.4433      0.00000
     27      17.0998      0.00000
     28      17.0998      0.00000
     29      20.5342      0.00000
     30      20.5342      0.00000
     31      24.7357      0.00000
     32      24.7357      0.00000

 k-point   119 :       0.3421    0.3158    0.5000
  band No.  band energies     occupation 
      1     -16.1068      2.00000
      2     -16.1068      2.00000
      3      -4.7111      2.00000
      4      -4.7111      2.00000
      5      -4.4594      2.00000
      6      -4.4594      2.00000
      7      -3.8825      2.00000
      8      -3.8825      2.00000
      9      -3.4267      2.00000
     10      -3.4267      2.00000
     11      -2.8955      2.00000
     12      -2.8955      2.00000
     13      -2.6422      2.00000
     14      -2.6422      2.00000
     15      -1.6384      2.00000
     16      -1.6384      2.00000
     17      -0.1967      2.00000
     18      -0.1967      2.00000
     19       8.7910      0.00000
     20       8.7910      0.00000
     21       9.1085      0.00000
     22       9.1086      0.00000
     23       9.8830      0.00000
     24       9.8830      0.00000
     25      16.5482      0.00000
     26      16.5482      0.00000
     27      17.0276      0.00000
     28      17.0276      0.00000
     29      20.4871      0.00000
     30      20.4871      0.00000
     31      24.7822      0.00000
     32      24.7822      0.00000

 k-point   120 :       0.3333    0.3333    0.5000
  band No.  band energies     occupation 
      1     -16.1063      2.00000
      2     -16.1063      2.00000
      3      -4.7063      2.00000
      4      -4.7063      2.00000
      5      -4.4629      2.00000
      6      -4.4629      2.00000
      7      -3.8790      2.00000
      8      -3.8790      2.00000
      9      -3.4296      2.00000
     10      -3.4296      2.00000
     11      -2.8929      2.00000
     12      -2.8929      2.00000
     13      -2.6438      2.00000
     14      -2.6438      2.00000
     15      -1.6459      2.00000
     16      -1.6459      2.00000
     17      -0.1963      2.00000
     18      -0.1963      2.00000
     19       8.9444      0.00000
     20       8.9444      0.00000
     21       8.9636      0.00000
     22       8.9636      0.00000
     23       9.8717      0.00000
     24       9.8717      0.00000
     25      16.5935      0.00000
     26      16.5935      0.00000
     27      16.9930      0.00000
     28      16.9930      0.00000
     29      20.4716      0.00000
     30      20.4716      0.00000
     31      24.7966      0.00000
     32      24.7966      0.00000

 k-point   121 :       0.3333    0.3333    0.5000
  band No.  band energies     occupation 
      1     -16.1063      2.00000
      2     -16.1063      2.00000
      3      -4.7063      2.00000
      4      -4.7063      2.00000
      5      -4.4629      2.00000
      6      -4.4629      2.00000
      7      -3.8790      2.00000
      8      -3.8790      2.00000
      9      -3.4296      2.00000
     10      -3.4296      2.00000
     11      -2.8929      2.00000
     12      -2.8929      2.00000
     13      -2.6438      2.00000
     14      -2.6438      2.00000
     15      -1.6459      2.00000
     16      -1.6459      2.00000
     17      -0.1963      2.00000
     18      -0.1963      2.00000
     19       8.9444      0.00000
     20       8.9444      0.00000
     21       8.9636      0.00000
     22       8.9636      0.00000
     23       9.8717      0.00000
     24       9.8717      0.00000
     25      16.5935      0.00000
     26      16.5935      0.00000
     27      16.9930      0.00000
     28      16.9930      0.00000
     29      20.4716      0.00000
     30      20.4716      0.00000
     31      24.7966      0.00000
     32      24.7966      0.00000

 k-point   122 :       0.3158    0.3158    0.5000
  band No.  band energies     occupation 
      1     -16.1087      2.00000
      2     -16.1087      2.00000
      3      -4.7235      2.00000
      4      -4.7235      2.00000
      5      -4.4506      2.00000
      6      -4.4506      2.00000
      7      -3.8936      2.00000
      8      -3.8936      2.00000
      9      -3.4179      2.00000
     10      -3.4179      2.00000
     11      -2.9054      2.00000
     12      -2.9054      2.00000
     13      -2.6328      2.00000
     14      -2.6328      2.00000
     15      -1.6177      2.00000
     16      -1.6177      2.00000
     17      -0.1987      2.00000
     18      -0.1987      2.00000
     19       8.6224      0.00000
     20       8.6224      0.00000
     21       9.2578      0.00000
     22       9.2578      0.00000
     23       9.9121      0.00000
     24       9.9121      0.00000
     25      16.4383      0.00000
     26      16.4383      0.00000
     27      17.1087      0.00000
     28      17.1087      0.00000
     29      20.5262      0.00000
     30      20.5262      0.00000
     31      24.7510      0.00000
     32      24.7510      0.00000

 k-point   123 :       0.2982    0.2982    0.5000
  band No.  band energies     occupation 
      1     -16.1161      2.00000
      2     -16.1161      2.00000
      3      -4.7643      2.00000
      4      -4.7643      2.00000
      5      -4.4238      2.00000
      6      -4.4238      2.00000
      7      -3.9327      2.00000
      8      -3.9327      2.00000
      9      -3.3887      2.00000
     10      -3.3887      2.00000
     11      -2.9419      2.00000
     12      -2.9419      2.00000
     13      -2.5931      2.00000
     14      -2.5931      2.00000
     15      -1.5407      2.00000
     16      -1.5407      2.00000
     17      -0.2033      2.00000
     18      -0.2033      2.00000
     19       8.2883      0.00000
     20       8.2883      0.00000
     21       9.4966      0.00000
     22       9.4966      0.00000
     23      10.0428      0.00000
     24      10.0428      0.00000
     25      16.1513      0.00000
     26      16.1513      0.00000
     27      17.2916      0.00000
     28      17.2916      0.00000
     29      20.6635      0.00000
     30      20.6635      0.00000
     31      24.6469      0.00000
     32      24.6469      0.00000

 k-point   124 :       0.2807    0.2807    0.5000
  band No.  band energies     occupation 
      1     -16.1288      2.00000
      2     -16.1288      2.00000
      3      -4.8147      2.00000
      4      -4.8147      2.00000
      5      -4.3959      2.00000
      6      -4.3959      2.00000
      7      -3.9848      2.00000
      8      -3.9848      2.00000
      9      -3.3546      2.00000
     10      -3.3546      2.00000
     11      -2.9925      2.00000
     12      -2.9925      2.00000
     13      -2.5226      2.00000
     14      -2.5226      2.00000
     15      -1.4247      2.00000
     16      -1.4247      2.00000
     17      -0.2101      2.00000
     18      -0.2101      2.00000
     19       7.9641      0.00000
     20       7.9641      0.00000
     21       9.6447      0.00000
     22       9.6447      0.00000
     23      10.2810      0.00000
     24      10.2810      0.00000
     25      15.8379      0.00000
     26      15.8379      0.00000
     27      17.4622      0.00000
     28      17.4622      0.00000
     29      20.8316      0.00000
     30      20.8317      0.00000
     31      24.5378      0.00000
     32      24.5378      0.00000

 k-point   125 :       0.2632    0.2632    0.5000
  band No.  band energies     occupation 
      1     -16.1477      2.00000
      2     -16.1477      2.00000
      3      -4.8664      2.00000
      4      -4.8664      2.00000
      5      -4.3746      2.00000
      6      -4.3746      2.00000
      7      -4.0394      2.00000
      8      -4.0394      2.00000
      9      -3.3257      2.00000
     10      -3.3257      2.00000
     11      -3.0479      2.00000
     12      -3.0479      2.00000
     13      -2.4250      2.00000
     14      -2.4250      2.00000
     15      -1.2800      2.00000
     16      -1.2800      2.00000
     17      -0.2186      2.00000
     18      -0.2186      2.00000
     19       7.6535      0.00000
     20       7.6535      0.00000
     21       9.7391      0.00000
     22       9.7391      0.00000
     23      10.5819      0.00000
     24      10.5819      0.00000
     25      15.5280      0.00000
     26      15.5280      0.00000
     27      17.6171      0.00000
     28      17.6171      0.00000
     29      20.9689      0.00000
     30      20.9690      0.00000
     31      24.4674      0.00000
     32      24.4674      0.00000

 k-point   126 :       0.2456    0.2456    0.5000
  band No.  band energies     occupation 
      1     -16.1730      2.00000
      2     -16.1730      2.00000
      3      -4.9149      2.00000
      4      -4.9149      2.00000
      5      -4.3637      2.00000
      6      -4.3637      2.00000
      7      -4.0896      2.00000
      8      -4.0896      2.00000
      9      -3.3060      2.00000
     10      -3.3060      2.00000
     11      -3.1021      2.00000
     12      -3.1021      2.00000
     13      -2.3048      2.00000
     14      -2.3048      2.00000
     15      -1.1138      2.00000
     16      -1.1138      2.00000
     17      -0.2304      2.00000
     18      -0.2304      2.00000
     19       7.3572      0.00000
     20       7.3572      0.00000
     21       9.8221      0.00000
     22       9.8221      0.00000
     23      10.9013      0.00000
     24      10.9013      0.00000
     25      15.2370      0.00000
     26      15.2370      0.00000
     27      17.7628      0.00000
     28      17.7628      0.00000
     29      21.0233      0.00000
     30      21.0233      0.00000
     31      24.4609      0.00000
     32      24.4609      0.00000

 k-point   127 :       0.2281    0.2281    0.5000
  band No.  band energies     occupation 
      1     -16.2044      2.00000
      2     -16.2044      2.00000
      3      -4.9571      2.00000
      4      -4.9571      2.00000
      5      -4.3651      2.00000
      6      -4.3651      2.00000
      7      -4.1332      2.00000
      8      -4.1332      2.00000
      9      -3.2951      2.00000
     10      -3.2951      2.00000
     11      -3.1516      2.00000
     12      -3.1516      2.00000
     13      -2.1675      2.00000
     14      -2.1675      2.00000
     15      -0.9339      2.00000
     16      -0.9339      2.00000
     17      -0.2399      2.00000
     18      -0.2399      2.00000
     19       7.0723      0.00000
     20       7.0723      0.00000
     21       9.9109      0.00000
     22       9.9109      0.00000
     23      11.2152      0.00000
     24      11.2152      0.00000
     25      14.9780      0.00000
     26      14.9780      0.00000
     27      17.9076      0.00000
     28      17.9076      0.00000
     29      20.9808      0.00000
     30      20.9808      0.00000
     31      24.5008      0.00000
     32      24.5008      0.00000

 k-point   128 :       0.2105    0.2105    0.5000
  band No.  band energies     occupation 
      1     -16.2407      2.00000
      2     -16.2407      2.00000
      3      -4.9896      2.00000
      4      -4.9896      2.00000
      5      -4.3770      2.00000
      6      -4.3770      2.00000
      7      -4.1717      2.00000
      8      -4.1717      2.00000
      9      -3.2911      2.00000
     10      -3.2911      2.00000
     11      -3.1943      2.00000
     12      -3.1943      2.00000
     13      -2.0181      2.00000
     14      -2.0181      2.00000
     15      -0.7485      2.00000
     16      -0.7485      2.00000
     17      -0.2442      2.00000
     18      -0.2442      2.00000
     19       6.7996      0.00000
     20       6.7996      0.00000
     21      10.0143      0.00000
     22      10.0143      0.00000
     23      11.5132      0.00000
     24      11.5132      0.00000
     25      14.7601      0.00000
     26      14.7601      0.00000
     27      18.0562      0.00000
     28      18.0562      0.00000
     29      20.8639      0.00000
     30      20.8639      0.00000
     31      24.5353      0.00000
     32      24.5353      0.00000

 k-point   129 :       0.1930    0.1930    0.5000
  band No.  band energies     occupation 
      1     -16.2809      2.00000
      2     -16.2809      2.00000
      3      -5.0117      2.00000
      4      -5.0117      2.00000
      5      -4.3963      2.00000
      6      -4.3963      2.00000
      7      -4.2087      2.00000
      8      -4.2087      2.00000
      9      -3.2916      2.00000
     10      -3.2916      2.00000
     11      -3.2287      2.00000
     12      -3.2287      2.00000
     13      -1.8622      2.00000
     14      -1.8622      2.00000
     15      -0.5672      2.00000
     16      -0.5672      2.00000
     17      -0.2339      2.00000
     18      -0.2339      2.00000
     19       6.5361      0.00000
     20       6.5361      0.00000
     21      10.1354      0.00000
     22      10.1354      0.00000
     23      11.7843      0.00000
     24      11.7843      0.00000
     25      14.5908      0.00000
     26      14.5908      0.00000
     27      18.2091      0.00000
     28      18.2091      0.00000
     29      20.7153      0.00000
     30      20.7153      0.00000
     31      24.5239      0.00000
     32      24.5239      0.00000

 k-point   130 :       0.1754    0.1754    0.5000
  band No.  band energies     occupation 
      1     -16.3251      2.00000
      2     -16.3251      2.00000
      3      -5.0232      2.00000
      4      -5.0232      2.00000
      5      -4.4195      2.00000
      6      -4.4195      2.00000
      7      -4.2484      2.00000
      8      -4.2484      2.00000
      9      -3.2947      2.00000
     10      -3.2947      2.00000
     11      -3.2546      2.00000
     12      -3.2546      2.00000
     13      -1.7070      2.00000
     14      -1.7070      2.00000
     15      -0.4137      2.00000
     16      -0.4137      2.00000
     17      -0.1919      2.00000
     18      -0.1919      2.00000
     19       6.2792      0.00000
     20       6.2792      0.00000
     21      10.2714      0.00000
     22      10.2714      0.00000
     23      12.0187      0.00000
     24      12.0187      0.00000
     25      14.4736      0.00000
     26      14.4736      0.00000
     27      18.3625      0.00000
     28      18.3625      0.00000
     29      20.5783      0.00000
     30      20.5783      0.00000
     31      24.4566      0.00000
     32      24.4566      0.00000

 k-point   131 :       0.1579    0.1579    0.5000
  band No.  band energies     occupation 
      1     -16.3703      2.00000
      2     -16.3703      2.00000
      3      -5.0244      2.00000
      4      -5.0244      2.00000
      5      -4.4433      2.00000
      6      -4.4433      2.00000
      7      -4.2916      2.00000
      8      -4.2916      2.00000
      9      -3.2988      2.00000
     10      -3.2988      2.00000
     11      -3.2727      2.00000
     12      -3.2727      2.00000
     13      -1.5601      2.00000
     14      -1.5601      2.00000
     15      -0.3095      2.00000
     16      -0.3095      2.00000
     17      -0.0880      2.00000
     18      -0.0880      2.00000
     19       6.0288      0.00000
     20       6.0288      0.00000
     21      10.4221      0.00000
     22      10.4221      0.00000
     23      12.2195      0.00000
     24      12.2195      0.00000
     25      14.4063      0.00000
     26      14.4063      0.00000
     27      18.5134      0.00000
     28      18.5134      0.00000
     29      20.4923      0.00000
     30      20.4923      0.00000
     31      24.3550      0.00000
     32      24.3550      0.00000

 k-point   132 :       0.1404    0.1404    0.5000
  band No.  band energies     occupation 
      1     -16.4159      2.00000
      2     -16.4159      2.00000
      3      -5.0169      2.00000
      4      -5.0169      2.00000
      5      -4.4666      2.00000
      6      -4.4666      2.00000
      7      -4.3380      2.00000
      8      -4.3380      2.00000
      9      -3.3023      2.00000
     10      -3.3023      2.00000
     11      -3.2846      2.00000
     12      -3.2846      2.00000
     13      -1.4319      2.00000
     14      -1.4319      2.00000
     15      -0.2289      2.00000
     16      -0.2289      2.00000
     17       0.0531      2.00000
     18       0.0531      2.00000
     19       5.7840      0.00000
     20       5.7840      0.00000
     21      10.5763      0.00000
     22      10.5763      0.00000
     23      12.3977      0.00000
     24      12.3977      0.00000
     25      14.3759      0.00000
     26      14.3759      0.00000
     27      18.6602      0.00000
     28      18.6602      0.00000
     29      20.4801      0.00000
     30      20.4801      0.00000
     31      24.2292      0.00000
     32      24.2292      0.00000

 k-point   133 :       0.1228    0.1228    0.5000
  band No.  band energies     occupation 
      1     -16.4604      2.00000
      2     -16.4604      2.00000
      3      -5.0024      2.00000
      4      -5.0024      2.00000
      5      -4.4886      2.00000
      6      -4.4886      2.00000
      7      -4.3858      2.00000
      8      -4.3858      2.00000
      9      -3.3045      2.00000
     10      -3.3045      2.00000
     11      -3.2922      2.00000
     12      -3.2922      2.00000
     13      -1.3311      2.00000
     14      -1.3311      2.00000
     15      -0.1314      2.00000
     16      -0.1314      2.00000
     17       0.1941      2.00000
     18       0.1941      2.00000
     19       5.5441      0.00000
     20       5.5441      0.00000
     21      10.7204      0.00000
     22      10.7204      0.00000
     23      12.5766      0.00000
     24      12.5766      0.00000
     25      14.3633      0.00000
     26      14.3633      0.00000
     27      18.8086      0.00000
     28      18.8086      0.00000
     29      20.5445      0.00000
     30      20.5445      0.00000
     31      24.0364      0.00000
     32      24.0364      0.00000

 k-point   134 :       0.1053    0.1053    0.5000
  band No.  band energies     occupation 
      1     -16.5029      2.00000
      2     -16.5029      2.00000
      3      -4.9837      2.00000
      4      -4.9837      2.00000
      5      -4.5090      2.00000
      6      -4.5090      2.00000
      7      -4.4324      2.00000
      8      -4.4324      2.00000
      9      -3.3053      2.00000
     10      -3.3053      2.00000
     11      -3.2969      2.00000
     12      -3.2969      2.00000
     13      -1.2621      2.00000
     14      -1.2621      2.00000
     15      -0.0072      2.00000
     16      -0.0072      2.00000
     17       0.3221      2.00000
     18       0.3221      2.00000
     19       5.3095      0.00000
     20       5.3095      0.00000
     21      10.8398      0.00000
     22      10.8398      0.00000
     23      12.7813      0.00000
     24      12.7813      0.00000
     25      14.3488      0.00000
     26      14.3488      0.00000
     27      18.9663      0.00000
     28      18.9663      0.00000
     29      20.6683      0.00000
     30      20.6683      0.00000
     31      23.5788      0.00000
     32      23.5788      0.00000

 k-point   135 :       0.0877    0.0877    0.5000
  band No.  band energies     occupation 
      1     -16.5407      2.00000
      2     -16.5407      2.00000
      3      -4.9625      2.00000
      4      -4.9625      2.00000
      5      -4.5272      2.00000
      6      -4.5272      2.00000
      7      -4.4751      2.00000
      8      -4.4751      2.00000
      9      -3.3048      2.00000
     10      -3.3048      2.00000
     11      -3.2995      2.00000
     12      -3.2995      2.00000
     13      -1.2204      2.00000
     14      -1.2204      2.00000
     15       0.1404      2.00000
     16       0.1404      2.00000
     17       0.4328      2.00000
     18       0.4328      2.00000
     19       5.0891      0.00000
     20       5.0891      0.00000
     21      10.9264      0.00000
     22      10.9264      0.00000
     23      13.0294      0.00000
     24      13.0294      0.00000
     25      14.3253      0.00000
     26      14.3253      0.00000
     27      19.1321      0.00000
     28      19.1321      0.00000
     29      20.8233      0.00000
     30      20.8233      0.00000
     31      22.8753      0.00000
     32      22.8753      0.00000

 k-point   136 :       0.0702    0.0702    0.5000
  band No.  band energies     occupation 
      1     -16.5736      2.00000
      2     -16.5736      2.00000
      3      -4.9414      2.00000
      4      -4.9414      2.00000
      5      -4.5431      2.00000
      6      -4.5431      2.00000
      7      -4.5117      2.00000
      8      -4.5117      2.00000
      9      -3.3038      2.00000
     10      -3.3038      2.00000
     11      -3.3008      2.00000
     12      -3.3008      2.00000
     13      -1.1993      2.00000
     14      -1.1993      2.00000
     15       0.2962      2.00000
     16       0.2962      2.00000
     17       0.5235      2.00000
     18       0.5235      2.00000
     19       4.8855      0.00000
     20       4.8855      0.00000
     21      10.9794      0.00000
     22      10.9794      0.00000
     23      13.3165      0.00000
     24      13.3165      0.00000
     25      14.2901      0.00000
     26      14.2901      0.00000
     27      19.2811      0.00000
     28      19.2811      0.00000
     29      20.9784      0.00000
     30      20.9784      0.00000
     31      22.1949      0.00000
     32      22.1949      0.00000

 k-point   137 :       0.0526    0.0526    0.5000
  band No.  band energies     occupation 
      1     -16.5996      2.00000
      2     -16.5996      2.00000
      3      -4.9228      2.00000
      4      -4.9228      2.00000
      5      -4.5564      2.00000
      6      -4.5564      2.00000
      7      -4.5402      2.00000
      8      -4.5402      2.00000
      9      -3.3025      2.00000
     10      -3.3025      2.00000
     11      -3.3011      2.00000
     12      -3.3011      2.00000
     13      -1.1908      2.00000
     14      -1.1908      2.00000
     15       0.4466      2.00000
     16       0.4466      2.00000
     17       0.5957      2.00000
     18       0.5957      2.00000
     19       4.7089      0.00000
     20       4.7089      0.00000
     21      11.0075      0.00000
     22      11.0075      0.00000
     23      13.6205      0.00000
     24      13.6205      0.00000
     25      14.2511      0.00000
     26      14.2511      0.00000
     27      19.3643      0.00000
     28      19.3643      0.00000
     29      21.1093      0.00000
     30      21.1093      0.00000
     31      21.6693      0.00000
     32      21.6693      0.00000

 k-point   138 :       0.0351    0.0351    0.5000
  band No.  band energies     occupation 
      1     -16.6190      2.00000
      2     -16.6190      2.00000
      3      -4.9086      2.00000
      4      -4.9086      2.00000
      5      -4.5668      2.00000
      6      -4.5668      2.00000
      7      -4.5604      2.00000
      8      -4.5604      2.00000
      9      -3.3014      2.00000
     10      -3.3014      2.00000
     11      -3.3009      2.00000
     12      -3.3009      2.00000
     13      -1.1891      2.00000
     14      -1.1891      2.00000
     15       0.5716      2.00000
     16       0.5716      2.00000
     17       0.6456      2.00000
     18       0.6456      2.00000
     19       4.5692      0.00000
     20       4.5692      0.00000
     21      11.0192      0.00000
     22      11.0192      0.00000
     23      13.9011      0.00000
     24      13.9011      0.00000
     25      14.2152      0.00000
     26      14.2152      0.00000
     27      19.3363      0.00000
     28      19.3363      0.00000
     29      21.1986      0.00000
     30      21.1986      0.00000
     31      21.3667      0.00000
     32      21.3667      0.00000

 k-point   139 :       0.0175    0.0175    0.5000
  band No.  band energies     occupation 
      1     -16.6311      2.00000
      2     -16.6311      2.00000
      3      -4.9000      2.00000
      4      -4.9000      2.00000
      5      -4.5737      2.00000
      6      -4.5737      2.00000
      7      -4.5721      2.00000
      8      -4.5720      2.00000
      9      -3.3008      2.00000
     10      -3.3008      2.00000
     11      -3.3007      2.00000
     12      -3.3007      2.00000
     13      -1.1899      2.00000
     14      -1.1899      2.00000
     15       0.6546      2.00000
     16       0.6546      2.00000
     17       0.6748      2.00000
     18       0.6748      2.00000
     19       4.4793      0.00000
     20       4.4793      0.00000
     21      11.0232      0.00000
     22      11.0232      0.00000
     23      14.1054      0.00000
     24      14.1055      0.00000
     25      14.1903      0.00000
     26      14.1903      0.00000
     27      19.2398      0.00000
     28      19.2398      0.00000
     29      21.2417      0.00000
     30      21.2417      0.00000
     31      21.2621      0.00000
     32      21.2621      0.00000

 k-point   140 :      -0.0000   -0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.6355      2.00000
      2     -16.6355      2.00000
      3      -4.8972      2.00000
      4      -4.8972      2.00000
      5      -4.5762      2.00000
      6      -4.5762      2.00000
      7      -4.5761      2.00000
      8      -4.5761      2.00000
      9      -3.3006      2.00000
     10      -3.3006      2.00000
     11      -3.3006      2.00000
     12      -3.3006      2.00000
     13      -1.1908      2.00000
     14      -1.1908      2.00000
     15       0.6834      2.00000
     16       0.6834      2.00000
     17       0.6834      2.00000
     18       0.6834      2.00000
     19       4.4477      0.00000
     20       4.4477      0.00000
     21      11.0231      0.00000
     22      11.0231      0.00000
     23      14.1811      0.00000
     24      14.1812      0.00000
     25      14.1813      0.00000
     26      14.1813      0.00000
     27      19.1884      0.00000
     28      19.1884      0.00000
     29      21.2494      0.00000
     30      21.2494      0.00000
     31      21.2495      0.00000
     32      21.2495      0.00000

 k-point   141 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -16.1633      2.00000
      2     -16.1633      2.00000
      3      -5.1114      2.00000
      4      -5.1114      2.00000
      5      -4.1587      2.00000
      6      -4.1587      2.00000
      7      -4.1052      2.00000
      8      -4.1052      2.00000
      9      -3.2279      2.00000
     10      -3.2279      2.00000
     11      -3.1450      2.00000
     12      -3.1450      2.00000
     13      -2.6901      2.00000
     14      -2.6901      2.00000
     15      -0.4482      2.00000
     16      -0.4482      2.00000
     17      -0.3203      2.00000
     18      -0.3203      2.00000
     19       6.6499      0.00000
     20       6.6499      0.00000
     21       9.4594      0.00000
     22       9.4594      0.00000
     23      12.2429      0.00000
     24      12.2429      0.00000
     25      14.6954      0.00000
     26      14.6954      0.00000
     27      17.0959      0.00000
     28      17.0959      0.00000
     29      22.7049      0.00000
     30      22.7049      0.00000
     31      24.0388      0.00000
     32      24.0388      0.00000

 k-point   142 :       0.5000    0.0000    0.4737
  band No.  band energies     occupation 
      1     -16.1732      2.00000
      2     -16.1547      2.00000
      3      -5.1123      2.00000
      4      -5.1070      2.00000
      5      -4.1807      2.00000
      6      -4.1364      2.00000
      7      -4.1080      2.00000
      8      -4.1020      2.00000
      9      -3.2306      2.00000
     10      -3.2250      2.00000
     11      -3.1548      2.00000
     12      -3.1363      2.00000
     13      -2.6976      2.00000
     14      -2.6817      2.00000
     15      -0.5083      2.00000
     16      -0.3962      2.00000
     17      -0.3904      2.00000
     18      -0.2574      2.00000
     19       6.5837      0.00000
     20       6.7234      0.00000
     21       9.4214      0.00000
     22       9.4949      0.00000
     23      12.1049      0.00000
     24      12.3898      0.00000
     25      14.6495      0.00000
     26      14.7398      0.00000
     27      16.8431      0.00000
     28      17.3565      0.00000
     29      22.6052      0.00000
     30      22.7817      0.00000
     31      23.8058      0.00000
     32      24.2786      0.00000

 k-point   143 :       0.5000    0.0000    0.4474
  band No.  band energies     occupation 
      1     -16.1830      2.00000
      2     -16.1456      2.00000
      3      -5.1100      2.00000
      4      -5.0989      2.00000
      5      -4.2018      2.00000
      6      -4.1137      2.00000
      7      -4.1097      2.00000
      8      -4.0983      2.00000
      9      -3.2332      2.00000
     10      -3.2219      2.00000
     11      -3.1656      2.00000
     12      -3.1286      2.00000
     13      -2.7039      2.00000
     14      -2.6724      2.00000
     15      -0.5672      2.00000
     16      -0.4764      2.00000
     17      -0.3332      2.00000
     18      -0.2028      2.00000
     19       6.5268      0.00000
     20       6.8031      0.00000
     21       9.3783      0.00000
     22       9.5270      0.00000
     23      11.9783      0.00000
     24      12.5441      0.00000
     25      14.6050      0.00000
     26      14.7851      0.00000
     27      16.6035      0.00000
     28      17.6264      0.00000
     29      22.4976      0.00000
     30      22.8333      0.00000
     31      23.5826      0.00000
     32      24.5289      0.00000

 k-point   144 :       0.5000    0.0000    0.4211
  band No.  band energies     occupation 
      1     -16.1930      2.00000
      2     -16.1369      2.00000
      3      -5.1047      2.00000
      4      -5.0876      2.00000
      5      -4.2222      2.00000
      6      -4.1105      2.00000
      7      -4.0935      2.00000
      8      -4.0907      2.00000
      9      -3.2356      2.00000
     10      -3.2186      2.00000
     11      -3.1776      2.00000
     12      -3.1218      2.00000
     13      -2.7090      2.00000
     14      -2.6623      2.00000
     15      -0.6261      2.00000
     16      -0.5630      2.00000
     17      -0.2774      2.00000
     18      -0.1573      2.00000
     19       6.4803      0.00000
     20       6.8874      0.00000
     21       9.3310      0.00000
     22       9.5530      0.00000
     23      11.8642      0.00000
     24      12.7033      0.00000
     25      14.5610      0.00000
     26      14.8300      0.00000
     27      16.3807      0.00000
     28      17.9003      0.00000
     29      22.3851      0.00000
     30      22.8536      0.00000
     31      23.3693      0.00000
     32      24.7868      0.00000

 k-point   145 :       0.5000    0.0000    0.3947
  band No.  band energies     occupation 
      1     -16.2024      2.00000
      2     -16.1282      2.00000
      3      -5.0961      2.00000
      4      -5.0723      2.00000
      5      -4.2417      2.00000
      6      -4.1102      2.00000
      7      -4.0879      2.00000
      8      -4.0676      2.00000
      9      -3.2378      2.00000
     10      -3.2150      2.00000
     11      -3.1906      2.00000
     12      -3.1160      2.00000
     13      -2.7128      2.00000
     14      -2.6513      2.00000
     15      -0.6842      2.00000
     16      -0.6549      2.00000
     17      -0.2229      2.00000
     18      -0.1215      2.00000
     19       6.4448      0.00000
     20       6.9746      0.00000
     21       9.2824      0.00000
     22       9.5773      0.00000
     23      11.7639      0.00000
     24      12.8641      0.00000
     25      14.5185      0.00000
     26      14.8743      0.00000
     27      16.1781      0.00000
     28      18.1751      0.00000
     29      22.2739      0.00000
     30      22.8354      0.00000
     31      23.1670      0.00000
     32      25.0514      0.00000

 k-point   146 :       0.5000    0.0000    0.3684
  band No.  band energies     occupation 
      1     -16.2123      2.00000
      2     -16.1203      2.00000
      3      -5.0850      2.00000
      4      -5.0538      2.00000
      5      -4.2605      2.00000
      6      -4.1094      2.00000
      7      -4.0818      2.00000
      8      -4.0446      2.00000
      9      -3.2398      2.00000
     10      -3.2113      2.00000
     11      -3.2046      2.00000
     12      -3.1110      2.00000
     13      -2.7153      2.00000
     14      -2.6399      2.00000
     15      -0.7519      2.00000
     16      -0.7415      2.00000
     17      -0.1705      2.00000
     18      -0.0973      2.00000
     19       6.4207      0.00000
     20       7.0631      0.00000
     21       9.2296      0.00000
     22       9.5962      0.00000
     23      11.6779      0.00000
     24      13.0217      0.00000
     25      14.4769      0.00000
     26      14.9176      0.00000
     27      15.9997      0.00000
     28      18.4447      0.00000
     29      22.1695      0.00000
     30      22.7705      0.00000
     31      22.9757      0.00000
     32      25.3213      0.00000

 k-point   147 :       0.5000    0.0000    0.3421
  band No.  band energies     occupation 
      1     -16.2217      2.00000
      2     -16.1125      2.00000
      3      -5.0717      2.00000
      4      -5.0321      2.00000
      5      -4.2780      2.00000
      6      -4.1074      2.00000
      7      -4.0753      2.00000
      8      -4.0219      2.00000
      9      -3.2417      2.00000
     10      -3.2197      2.00000
     11      -3.2074      2.00000
     12      -3.1069      2.00000
     13      -2.7165      2.00000
     14      -2.6279      2.00000
     15      -0.8517      2.00000
     16      -0.7974      2.00000
     17      -0.1203      2.00000
     18      -0.0820      2.00000
     19       6.4085      0.00000
     20       7.1512      0.00000
     21       9.1748      0.00000
     22       9.6109      0.00000
     23      11.6073      0.00000
     24      13.1708      0.00000
     25      14.4372      0.00000
     26      14.9596      0.00000
     27      15.8516      0.00000
     28      18.7040      0.00000
     29      22.0819      0.00000
     30      22.6609      0.00000
     31      22.7956      0.00000
     32      25.5951      0.00000

 k-point   148 :       0.5000    0.0000    0.3158
  band No.  band energies     occupation 
      1     -16.2305      2.00000
      2     -16.1051      2.00000
      3      -5.0566      2.00000
      4      -5.0075      2.00000
      5      -4.2945      2.00000
      6      -4.1042      2.00000
      7      -4.0680      2.00000
      8      -3.9996      2.00000
      9      -3.2434      2.00000
     10      -3.2355      2.00000
     11      -3.2033      2.00000
     12      -3.1035      2.00000
     13      -2.7161      2.00000
     14      -2.6154      2.00000
     15      -0.9526      2.00000
     16      -0.8516      2.00000
     17      -0.0745      2.00000
     18      -0.0723      2.00000
     19       6.4081      0.00000
     20       7.2375      0.00000
     21       9.1172      0.00000
     22       9.6209      0.00000
     23      11.5522      0.00000
     24      13.3044      0.00000
     25      14.3998      0.00000
     26      15.0001      0.00000
     27      15.7416      0.00000
     28      18.9465      0.00000
     29      22.0197      0.00000
     30      22.5092      0.00000
     31      22.6278      0.00000
     32      25.6921      0.00000

 k-point   149 :       0.5000    0.0000    0.2895
  band No.  band energies     occupation 
      1     -16.2388      2.00000
      2     -16.0982      2.00000
      3      -5.0402      2.00000
      4      -4.9806      2.00000
      5      -4.3097      2.00000
      6      -4.1000      2.00000
      7      -4.0603      2.00000
      8      -3.9780      2.00000
      9      -3.2522      2.00000
     10      -3.2450      2.00000
     11      -3.1991      2.00000
     12      -3.1007      2.00000
     13      -2.7142      2.00000
     14      -2.6027      2.00000
     15      -1.0541      2.00000
     16      -0.9036      2.00000
     17      -0.0751      2.00000
     18      -0.0269      2.00000
     19       6.4188      0.00000
     20       7.3206      0.00000
     21       9.0570      0.00000
     22       9.6260      0.00000
     23      11.5123      0.00000
     24      13.4147      0.00000
     25      14.3646      0.00000
     26      15.0387      0.00000
     27      15.6764      0.00000
     28      19.1616      0.00000
     29      21.9934      0.00000
     30      22.3191      0.00000
     31      22.4722      0.00000
     32      25.6839      0.00000

 k-point   150 :       0.5000    0.0000    0.2632
  band No.  band energies     occupation 
      1     -16.2465      2.00000
      2     -16.0917      2.00000
      3      -5.0230      2.00000
      4      -4.9520      2.00000
      5      -4.3236      2.00000
      6      -4.0948      2.00000
      7      -4.0523      2.00000
      8      -3.9574      2.00000
      9      -3.2695      2.00000
     10      -3.2464      2.00000
     11      -3.1947      2.00000
     12      -3.0985      2.00000
     13      -2.7108      2.00000
     14      -2.5898      2.00000
     15      -1.1546      2.00000
     16      -0.9531      2.00000
     17      -0.0826      2.00000
     18       0.0168      2.00000
     19       6.4398      0.00000
     20       7.3993      0.00000
     21       8.9946      0.00000
     22       9.6264      0.00000
     23      11.4866      0.00000
     24      13.4948      0.00000
     25      14.3321      0.00000
     26      15.0752      0.00000
     27      15.6620      0.00000
     28      19.3392      0.00000
     29      22.0145      0.00000
     30      22.0983      0.00000
     31      22.3310      0.00000
     32      25.6962      0.00000

 k-point   151 :       0.5000    0.0000    0.2368
  band No.  band energies     occupation 
      1     -16.2537      2.00000
      2     -16.0855      2.00000
      3      -5.0055      2.00000
      4      -4.9223      2.00000
      5      -4.3363      2.00000
      6      -4.0883      2.00000
      7      -4.0441      2.00000
      8      -3.9378      2.00000
      9      -3.2873      2.00000
     10      -3.2477      2.00000
     11      -3.1903      2.00000
     12      -3.0967      2.00000
     13      -2.7058      2.00000
     14      -2.5770      2.00000
     15      -1.2523      2.00000
     16      -0.9989      2.00000
     17      -0.0956      2.00000
     18       0.0562      2.00000
     19       6.4699      0.00000
     20       7.4729      0.00000
     21       8.9304      0.00000
     22       9.6229      0.00000
     23      11.4753      0.00000
     24      13.5418      0.00000
     25      14.3017      0.00000
     26      15.1105      0.00000
     27      15.7005      0.00000
     28      19.4725      0.00000
     29      21.8544      0.00000
     30      22.0917      0.00000
     31      22.2009      0.00000
     32      25.7234      0.00000

 k-point   152 :       0.5000    0.0000    0.2105
  band No.  band energies     occupation 
      1     -16.2605      2.00000
      2     -16.0812      2.00000
      3      -4.9885      2.00000
      4      -4.8925      2.00000
      5      -4.3479      2.00000
      6      -4.0815      2.00000
      7      -4.0362      2.00000
      8      -3.9199      2.00000
      9      -3.3055      2.00000
     10      -3.2489      2.00000
     11      -3.1860      2.00000
     12      -3.0955      2.00000
     13      -2.6995      2.00000
     14      -2.5654      2.00000
     15      -1.3486      2.00000
     16      -1.0427      2.00000
     17      -0.1138      2.00000
     18       0.0919      2.00000
     19       6.5070      0.00000
     20       7.5397      0.00000
     21       8.8631      0.00000
     22       9.6155      0.00000
     23      11.4717      0.00000
     24      13.5556      0.00000
     25      14.2740      0.00000
     26      15.1400      0.00000
     27      15.7868      0.00000
     28      19.5547      0.00000
     29      21.5950      0.00000
     30      22.0836      0.00000
     31      22.2279      0.00000
     32      25.7596      0.00000

 k-point   153 :       0.5000    0.0000    0.1842
  band No.  band energies     occupation 
      1     -16.2657      2.00000
      2     -16.0764      2.00000
      3      -4.9718      2.00000
      4      -4.8628      2.00000
      5      -4.3575      2.00000
      6      -4.0734      2.00000
      7      -4.0281      2.00000
      8      -3.9032      2.00000
      9      -3.3235      2.00000
     10      -3.2499      2.00000
     11      -3.1817      2.00000
     12      -3.0946      2.00000
     13      -2.6914      2.00000
     14      -2.5531      2.00000
     15      -1.4382      2.00000
     16      -1.0820      2.00000
     17      -0.1336      2.00000
     18       0.1255      2.00000
     19       6.5500      0.00000
     20       7.6004      0.00000
     21       8.7995      0.00000
     22       9.6090      0.00000
     23      11.4788      0.00000
     24      13.5471      0.00000
     25      14.2495      0.00000
     26      15.1681      0.00000
     27      15.9144      0.00000
     28      19.5973      0.00000
     29      21.3293      0.00000
     30      21.9819      0.00000
     31      22.4182      0.00000
     32      25.8010      0.00000

 k-point   154 :       0.5000    0.0000    0.1579
  band No.  band energies     occupation 
      1     -16.2711      2.00000
      2     -16.0723      2.00000
      3      -4.9564      2.00000
      4      -4.8350      2.00000
      5      -4.3664      2.00000
      6      -4.0651      2.00000
      7      -4.0209      2.00000
      8      -3.8883      2.00000
      9      -3.3410      2.00000
     10      -3.2507      2.00000
     11      -3.1777      2.00000
     12      -3.0940      2.00000
     13      -2.6829      2.00000
     14      -2.5421      2.00000
     15      -1.5212      2.00000
     16      -1.1171      2.00000
     17      -0.1553      2.00000
     18       0.1539      2.00000
     19       6.5962      0.00000
     20       7.6529      0.00000
     21       8.7361      0.00000
     22       9.5984      0.00000
     23      11.4919      0.00000
     24      13.5226      0.00000
     25      14.2277      0.00000
     26      15.1931      0.00000
     27      16.0690      0.00000
     28      19.6067      0.00000
     29      21.0626      0.00000
     30      21.8917      0.00000
     31      22.6516      0.00000
     32      25.8425      0.00000

 k-point   155 :       0.5000    0.0000    0.1316
  band No.  band energies     occupation 
      1     -16.2759      2.00000
      2     -16.0690      2.00000
      3      -4.9428      2.00000
      4      -4.8097      2.00000
      5      -4.3740      2.00000
      6      -4.0565      2.00000
      7      -4.0141      2.00000
      8      -3.8754      2.00000
      9      -3.3577      2.00000
     10      -3.2515      2.00000
     11      -3.1741      2.00000
     12      -3.0936      2.00000
     13      -2.6737      2.00000
     14      -2.5321      2.00000
     15      -1.5963      2.00000
     16      -1.1475      2.00000
     17      -0.1771      2.00000
     18       0.1780      2.00000
     19       6.6427      0.00000
     20       7.6976      0.00000
     21       8.6754      0.00000
     22       9.5871      0.00000
     23      11.5072      0.00000
     24      13.4904      0.00000
     25      14.2090      0.00000
     26      15.2145      0.00000
     27      16.2382      0.00000
     28      19.5955      0.00000
     29      20.8055      0.00000
     30      21.8147      0.00000
     31      22.9144      0.00000
     32      25.8823      0.00000

 k-point   156 :       0.5000    0.0000    0.1053
  band No.  band energies     occupation 
      1     -16.2798      2.00000
      2     -16.0661      2.00000
      3      -4.9310      2.00000
      4      -4.7874      2.00000
      5      -4.3803      2.00000
      6      -4.0480      2.00000
      7      -4.0082      2.00000
      8      -3.8646      2.00000
      9      -3.3727      2.00000
     10      -3.2521      2.00000
     11      -3.1708      2.00000
     12      -3.0934      2.00000
     13      -2.6645      2.00000
     14      -2.5234      2.00000
     15      -1.6610      2.00000
     16      -1.1730      2.00000
     17      -0.1972      2.00000
     18       0.1979      2.00000
     19       6.6872      0.00000
     20       7.7343      0.00000
     21       8.6211      0.00000
     22       9.5769      0.00000
     23      11.5244      0.00000
     24      13.4571      0.00000
     25      14.1936      0.00000
     26      15.2322      0.00000
     27      16.4087      0.00000
     28      19.5740      0.00000
     29      20.5673      0.00000
     30      21.7516      0.00000
     31      23.1914      0.00000
     32      25.9177      0.00000

 k-point   157 :       0.5000    0.0000    0.0789
  band No.  band energies     occupation 
      1     -16.2829      2.00000
      2     -16.0639      2.00000
      3      -4.9215      2.00000
      4      -4.7692      2.00000
      5      -4.3851      2.00000
      6      -4.0404      2.00000
      7      -4.0033      2.00000
      8      -3.8560      2.00000
      9      -3.3856      2.00000
     10      -3.2525      2.00000
     11      -3.1682      2.00000
     12      -3.0933      2.00000
     13      -2.6560      2.00000
     14      -2.5163      2.00000
     15      -1.7138      2.00000
     16      -1.1931      2.00000
     17      -0.2142      2.00000
     18       0.2136      2.00000
     19       6.7262      0.00000
     20       7.7629      0.00000
     21       8.5749      0.00000
     22       9.5682      0.00000
     23      11.5404      0.00000
     24      13.4274      0.00000
     25      14.1815      0.00000
     26      15.2462      0.00000
     27      16.5664      0.00000
     28      19.5498      0.00000
     29      20.3591      0.00000
     30      21.7024      0.00000
     31      23.4648      0.00000
     32      25.9470      0.00000

 k-point   158 :       0.5000    0.0000    0.0526
  band No.  band energies     occupation 
      1     -16.2847      2.00000
      2     -16.0621      2.00000
      3      -4.9144      2.00000
      4      -4.7556      2.00000
      5      -4.3886      2.00000
      6      -4.0342      2.00000
      7      -3.9995      2.00000
      8      -3.8497      2.00000
      9      -3.3954      2.00000
     10      -3.2528      2.00000
     11      -3.1662      2.00000
     12      -3.0933      2.00000
     13      -2.6489      2.00000
     14      -2.5109      2.00000
     15      -1.7530      2.00000
     16      -1.2076      2.00000
     17      -0.2264      2.00000
     18       0.2257      2.00000
     19       6.7573      0.00000
     20       7.7838      0.00000
     21       8.5399      0.00000
     22       9.5620      0.00000
     23      11.5540      0.00000
     24      13.4044      0.00000
     25      14.1729      0.00000
     26      15.2569      0.00000
     27      16.6961      0.00000
     28      19.5287      0.00000
     29      20.1947      0.00000
     30      21.6684      0.00000
     31      23.7101      0.00000
     32      25.9689      0.00000

 k-point   159 :       0.5000    0.0000    0.0263
  band No.  band energies     occupation 
      1     -16.2861      2.00000
      2     -16.0618      2.00000
      3      -4.9103      2.00000
      4      -4.7475      2.00000
      5      -4.3908      2.00000
      6      -4.0306      2.00000
      7      -3.9973      2.00000
      8      -3.8463      2.00000
      9      -3.4016      2.00000
     10      -3.2531      2.00000
     11      -3.1650      2.00000
     12      -3.0933      2.00000
     13      -2.6443      2.00000
     14      -2.5079      2.00000
     15      -1.7781      2.00000
     16      -1.2171      2.00000
     17      -0.2347      2.00000
     18       0.2322      2.00000
     19       6.7764      0.00000
     20       7.7958      0.00000
     21       8.5172      0.00000
     22       9.5574      0.00000
     23      11.5600      0.00000
     24      13.3888      0.00000
     25      14.1675      0.00000
     26      15.2604      0.00000
     27      16.7823      0.00000
     28      19.5143      0.00000
     29      20.0877      0.00000
     30      21.6467      0.00000
     31      23.8894      0.00000
     32      25.9823      0.00000

 k-point   160 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -16.2864      2.00000
      2     -16.0614      2.00000
      3      -4.9088      2.00000
      4      -4.7447      2.00000
      5      -4.3912      2.00000
      6      -4.0292      2.00000
      7      -3.9964      2.00000
      8      -3.8450      2.00000
      9      -3.4038      2.00000
     10      -3.2532      2.00000
     11      -3.1646      2.00000
     12      -3.0933      2.00000
     13      -2.6426      2.00000
     14      -2.5069      2.00000
     15      -1.7863      2.00000
     16      -1.2196      2.00000
     17      -0.2381      2.00000
     18       0.2359      2.00000
     19       6.7831      0.00000
     20       7.7998      0.00000
     21       8.5091      0.00000
     22       9.5563      0.00000
     23      11.5629      0.00000
     24      13.3839      0.00000
     25      14.1660      0.00000
     26      15.2635      0.00000
     27      16.8126      0.00000
     28      19.5095      0.00000
     29      20.0503      0.00000
     30      21.6416      0.00000
     31      23.9576      0.00000
     32      25.9867      0.00000

 k-point   161 :       0.3333    0.3333    0.5000
  band No.  band energies     occupation 
      1     -16.1063      2.00000
      2     -16.1063      2.00000
      3      -4.7063      2.00000
      4      -4.7063      2.00000
      5      -4.4629      2.00000
      6      -4.4629      2.00000
      7      -3.8790      2.00000
      8      -3.8790      2.00000
      9      -3.4296      2.00000
     10      -3.4296      2.00000
     11      -2.8929      2.00000
     12      -2.8929      2.00000
     13      -2.6438      2.00000
     14      -2.6438      2.00000
     15      -1.6459      2.00000
     16      -1.6459      2.00000
     17      -0.1963      2.00000
     18      -0.1963      2.00000
     19       8.9444      0.00000
     20       8.9444      0.00000
     21       8.9636      0.00000
     22       8.9636      0.00000
     23       9.8717      0.00000
     24       9.8717      0.00000
     25      16.5935      0.00000
     26      16.5935      0.00000
     27      16.9930      0.00000
     28      16.9930      0.00000
     29      20.4716      0.00000
     30      20.4716      0.00000
     31      24.7966      0.00000
     32      24.7966      0.00000

 k-point   162 :       0.3333    0.3333    0.4737
  band No.  band energies     occupation 
      1     -16.1060      2.00000
      2     -16.1060      2.00000
      3      -4.7037      2.00000
      4      -4.7037      2.00000
      5      -4.4877      2.00000
      6      -4.4366      2.00000
      7      -3.8784      2.00000
      8      -3.8784      2.00000
      9      -3.4348      2.00000
     10      -3.4243      2.00000
     11      -2.8956      2.00000
     12      -2.8956      2.00000
     13      -2.6415      2.00000
     14      -2.6415      2.00000
     15      -1.7241      2.00000
     16      -1.5669      2.00000
     17      -0.2006      2.00000
     18      -0.2006      2.00000
     19       8.9243      0.00000
     20       8.9599      0.00000
     21       8.9599      0.00000
     22       8.9650      0.00000
     23       9.8860      0.00000
     24       9.8860      0.00000
     25      16.3377      0.00000
     26      16.8618      0.00000
     27      16.9776      0.00000
     28      16.9776      0.00000
     29      20.4859      0.00000
     30      20.4859      0.00000
     31      24.7523      0.00000
     32      24.8463      0.00000

 k-point   163 :       0.3333    0.3333    0.4474
  band No.  band energies     occupation 
      1     -16.1068      2.00000
      2     -16.1068      2.00000
      3      -4.6968      2.00000
      4      -4.6968      2.00000
      5      -4.5119      2.00000
      6      -4.4092      2.00000
      7      -3.8773      2.00000
      8      -3.8773      2.00000
      9      -3.4401      2.00000
     10      -3.4193      2.00000
     11      -2.9039      2.00000
     12      -2.9039      2.00000
     13      -2.6361      2.00000
     14      -2.6361      2.00000
     15      -1.8028      2.00000
     16      -1.4896      2.00000
     17      -0.2158      2.00000
     18      -0.2158      2.00000
     19       8.9005      0.00000
     20       8.9487      0.00000
     21       8.9488      0.00000
     22       8.9828      0.00000
     23       9.9219      0.00000
     24       9.9220      0.00000
     25      16.0936      0.00000
     26      16.9302      0.00000
     27      16.9302      0.00000
     28      17.1409      0.00000
     29      20.5260      0.00000
     30      20.5260      0.00000
     31      24.7086      0.00000
     32      24.8956      0.00000

 k-point   164 :       0.3333    0.3333    0.4211
  band No.  band energies     occupation 
      1     -16.1072      2.00000
      2     -16.1072      2.00000
      3      -4.6849      2.00000
      4      -4.6849      2.00000
      5      -4.5344      2.00000
      6      -4.3808      2.00000
      7      -3.8749      2.00000
      8      -3.8749      2.00000
      9      -3.4454      2.00000
     10      -3.4144      2.00000
     11      -2.9170      2.00000
     12      -2.9170      2.00000
     13      -2.6275      2.00000
     14      -2.6275      2.00000
     15      -1.8809      2.00000
     16      -1.4129      2.00000
     17      -0.2376      2.00000
     18      -0.2376      2.00000
     19       8.8769      0.00000
     20       8.9326      0.00000
     21       8.9327      0.00000
     22       8.9995      0.00000
     23       9.9808      0.00000
     24       9.9809      0.00000
     25      15.8624      0.00000
     26      16.8560      0.00000
     27      16.8561      0.00000
     28      17.4310      0.00000
     29      20.5924      0.00000
     30      20.5925      0.00000
     31      24.6668      0.00000
     32      24.9496      0.00000

 k-point   165 :       0.3333    0.3333    0.3947
  band No.  band energies     occupation 
      1     -16.1077      2.00000
      2     -16.1077      2.00000
      3      -4.6687      2.00000
      4      -4.6686      2.00000
      5      -4.5555      2.00000
      6      -4.3518      2.00000
      7      -3.8716      2.00000
      8      -3.8716      2.00000
      9      -3.4508      2.00000
     10      -3.4098      2.00000
     11      -2.9343      2.00000
     12      -2.9343      2.00000
     13      -2.6167      2.00000
     14      -2.6166      2.00000
     15      -1.9588      2.00000
     16      -1.3375      2.00000
     17      -0.2657      2.00000
     18      -0.2656      2.00000
     19       8.8524      0.00000
     20       8.9131      0.00000
     21       8.9132      0.00000
     22       9.0126      0.00000
     23      10.0586      0.00000
     24      10.0587      0.00000
     25      15.6445      0.00000
     26      16.7577      0.00000
     27      16.7578      0.00000
     28      17.7307      0.00000
     29      20.6818      0.00000
     30      20.6819      0.00000
     31      24.6234      0.00000
     32      25.0066      0.00000

 k-point   166 :       0.3333    0.3333    0.3684
  band No.  band energies     occupation 
      1     -16.1082      2.00000
      2     -16.1082      2.00000
      3      -4.6481      2.00000
      4      -4.6480      2.00000
      5      -4.5751      2.00000
      6      -4.3216      2.00000
      7      -3.8670      2.00000
      8      -3.8670      2.00000
      9      -3.4561      2.00000
     10      -3.4051      2.00000
     11      -2.9551      2.00000
     12      -2.9550      2.00000
     13      -2.6040      2.00000
     14      -2.6040      2.00000
     15      -2.0347      2.00000
     16      -1.2640      2.00000
     17      -0.3020      2.00000
     18      -0.3019      2.00000
     19       8.8269      0.00000
     20       8.8923      0.00000
     21       8.8925      0.00000
     22       9.0263      0.00000
     23      10.1540      0.00000
     24      10.1542      0.00000
     25      15.4401      0.00000
     26      16.6380      0.00000
     27      16.6381      0.00000
     28      18.0405      0.00000
     29      20.7889      0.00000
     30      20.7890      0.00000
     31      24.5826      0.00000
     32      25.0672      0.00000

 k-point   167 :       0.3333    0.3333    0.3421
  band No.  band energies     occupation 
      1     -16.1091      2.00000
      2     -16.1091      2.00000
      3      -4.6238      2.00000
      4      -4.6238      2.00000
      5      -4.5938      2.00000
      6      -4.2905      2.00000
      7      -3.8613      2.00000
      8      -3.8613      2.00000
      9      -3.4614      2.00000
     10      -3.4008      2.00000
     11      -2.9790      2.00000
     12      -2.9789      2.00000
     13      -2.5902      2.00000
     14      -2.5902      2.00000
     15      -2.1088      2.00000
     16      -1.1931      2.00000
     17      -0.3460      2.00000
     18      -0.3460      2.00000
     19       8.8002      0.00000
     20       8.8711      0.00000
     21       8.8713      0.00000
     22       9.0387      0.00000
     23      10.2637      0.00000
     24      10.2638      0.00000
     25      15.2489      0.00000
     26      16.5000      0.00000
     27      16.5001      0.00000
     28      18.3590      0.00000
     29      20.9095      0.00000
     30      20.9096      0.00000
     31      24.5411      0.00000
     32      25.1306      0.00000

 k-point   168 :       0.3333    0.3333    0.3158
  band No.  band energies     occupation 
      1     -16.1104      2.00000
      2     -16.1103      2.00000
      3      -4.6109      2.00000
      4      -4.5964      2.00000
      5      -4.5964      2.00000
      6      -4.2590      2.00000
      7      -3.8544      2.00000
      8      -3.8544      2.00000
      9      -3.4668      2.00000
     10      -3.3966      2.00000
     11      -3.0055      2.00000
     12      -3.0055      2.00000
     13      -2.5760      2.00000
     14      -2.5760      2.00000
     15      -2.1809      2.00000
     16      -1.1258      2.00000
     17      -0.3950      2.00000
     18      -0.3950      2.00000
     19       8.7725      0.00000
     20       8.8503      0.00000
     21       8.8505      0.00000
     22       9.0498      0.00000
     23      10.3841      0.00000
     24      10.3843      0.00000
     25      15.0709      0.00000
     26      16.3478      0.00000
     27      16.3479      0.00000
     28      18.6852      0.00000
     29      21.0413      0.00000
     30      21.0414      0.00000
     31      24.4978      0.00000
     32      25.1960      0.00000

 k-point   169 :       0.3333    0.3333    0.2895
  band No.  band energies     occupation 
      1     -16.1112      2.00000
      2     -16.1112      2.00000
      3      -4.6267      2.00000
      4      -4.5662      2.00000
      5      -4.5662      2.00000
      6      -4.2271      2.00000
      7      -3.8459      2.00000
      8      -3.8459      2.00000
      9      -3.4721      2.00000
     10      -3.3927      2.00000
     11      -3.0343      2.00000
     12      -3.0343      2.00000
     13      -2.5612      2.00000
     14      -2.5611      2.00000
     15      -2.2504      2.00000
     16      -1.0608      2.00000
     17      -0.4469      2.00000
     18      -0.4468      2.00000
     19       8.7457      0.00000
     20       8.8313      0.00000
     21       8.8316      0.00000
     22       9.0597      0.00000
     23      10.5155      0.00000
     24      10.5157      0.00000
     25      14.9076      0.00000
     26      16.1864      0.00000
     27      16.1865      0.00000
     28      19.0182      0.00000
     29      21.1815      0.00000
     30      21.1817      0.00000
     31      24.4513      0.00000
     32      25.2652      0.00000

 k-point   170 :       0.3333    0.3333    0.2632
  band No.  band energies     occupation 
      1     -16.1121      2.00000
      2     -16.1121      2.00000
      3      -4.6411      2.00000
      4      -4.5339      2.00000
      5      -4.5339      2.00000
      6      -4.1952      2.00000
      7      -3.8358      2.00000
      8      -3.8358      2.00000
      9      -3.4774      2.00000
     10      -3.3890      2.00000
     11      -3.0652      2.00000
     12      -3.0651      2.00000
     13      -2.5462      2.00000
     14      -2.5462      2.00000
     15      -2.3170      2.00000
     16      -0.9996      2.00000
     17      -0.5011      2.00000
     18      -0.5011      2.00000
     19       8.7191      0.00000
     20       8.8141      0.00000
     21       8.8144      0.00000
     22       9.0685      0.00000
     23      10.6544      0.00000
     24      10.6546      0.00000
     25      14.7585      0.00000
     26      16.0181      0.00000
     27      16.0182      0.00000
     28      19.3568      0.00000
     29      21.3264      0.00000
     30      21.3266      0.00000
     31      24.4000      0.00000
     32      25.3365      0.00000

 k-point   171 :       0.3333    0.3333    0.2368
  band No.  band energies     occupation 
      1     -16.1133      2.00000
      2     -16.1132      2.00000
      3      -4.6541      2.00000
      4      -4.5008      2.00000
      5      -4.5008      2.00000
      6      -4.1636      2.00000
      7      -3.8240      2.00000
      8      -3.8240      2.00000
      9      -3.4826      2.00000
     10      -3.3856      2.00000
     11      -3.0979      2.00000
     12      -3.0979      2.00000
     13      -2.5315      2.00000
     14      -2.5315      2.00000
     15      -2.3801      2.00000
     16      -0.9426      2.00000
     17      -0.5571      2.00000
     18      -0.5570      2.00000
     19       8.6932      0.00000
     20       8.7988      0.00000
     21       8.7990      0.00000
     22       9.0762      0.00000
     23      10.7983      0.00000
     24      10.7985      0.00000
     25      14.6237      0.00000
     26      15.8454      0.00000
     27      15.8455      0.00000
     28      19.6994      0.00000
     29      21.4723      0.00000
     30      21.4725      0.00000
     31      24.3418      0.00000
     32      25.4091      0.00000

 k-point   172 :       0.3333    0.3333    0.2105
  band No.  band energies     occupation 
      1     -16.1137      2.00000
      2     -16.1137      2.00000
      3      -4.6654      2.00000
      4      -4.4668      2.00000
      5      -4.4668      2.00000
      6      -4.1323      2.00000
      7      -3.8098      2.00000
      8      -3.8098      2.00000
      9      -3.4877      2.00000
     10      -3.3825      2.00000
     11      -3.1322      2.00000
     12      -3.1322      2.00000
     13      -2.5169      2.00000
     14      -2.5169      2.00000
     15      -2.4389      2.00000
     16      -0.8898      2.00000
     17      -0.6116      2.00000
     18      -0.6116      2.00000
     19       8.6685      0.00000
     20       8.7862      0.00000
     21       8.7865      0.00000
     22       9.0844      0.00000
     23      10.9463      0.00000
     24      10.9465      0.00000
     25      14.5039      0.00000
     26      15.6727      0.00000
     27      15.6728      0.00000
     28      20.0446      0.00000
     29      21.6176      0.00000
     30      21.6178      0.00000
     31      24.2754      0.00000
     32      25.4820      0.00000

 k-point   173 :       0.3333    0.3333    0.1842
  band No.  band energies     occupation 
      1     -16.1146      2.00000
      2     -16.1146      2.00000
      3      -4.6757      2.00000
      4      -4.4341      2.00000
      5      -4.4341      2.00000
      6      -4.1025      2.00000
      7      -3.7936      2.00000
      8      -3.7936      2.00000
      9      -3.4928      2.00000
     10      -3.3798      2.00000
     11      -3.1678      2.00000
     12      -3.1678      2.00000
     13      -2.5032      2.00000
     14      -2.5032      2.00000
     15      -2.4933      2.00000
     16      -0.8423      2.00000
     17      -0.6645      2.00000
     18      -0.6644      2.00000
     19       8.6452      0.00000
     20       8.7747      0.00000
     21       8.7749      0.00000
     22       9.0902      0.00000
     23      11.0929      0.00000
     24      11.0931      0.00000
     25      14.3978      0.00000
     26      15.5026      0.00000
     27      15.5027      0.00000
     28      20.3898      0.00000
     29      21.7581      0.00000
     30      21.7582      0.00000
     31      24.1966      0.00000
     32      25.5539      0.00000

 k-point   174 :       0.3333    0.3333    0.1579
  band No.  band energies     occupation 
      1     -16.1154      2.00000
      2     -16.1154      2.00000
      3      -4.6845      2.00000
      4      -4.4031      2.00000
      5      -4.4031      2.00000
      6      -4.0743      2.00000
      7      -3.7752      2.00000
      8      -3.7752      2.00000
      9      -3.4976      2.00000
     10      -3.3773      2.00000
     11      -3.2041      2.00000
     12      -3.2041      2.00000
     13      -2.5424      2.00000
     14      -2.4904      2.00000
     15      -2.4904      2.00000
     16      -0.8002      2.00000
     17      -0.7140      2.00000
     18      -0.7139      2.00000
     19       8.6239      0.00000
     20       8.7650      0.00000
     21       8.7652      0.00000
     22       9.0951      0.00000
     23      11.2360      0.00000
     24      11.2362      0.00000
     25      14.3060      0.00000
     26      15.3389      0.00000
     27      15.3390      0.00000
     28      20.7322      0.00000
     29      21.8905      0.00000
     30      21.8907      0.00000
     31      24.1035      0.00000
     32      25.6233      0.00000

 k-point   175 :       0.3333    0.3333    0.1316
  band No.  band energies     occupation 
      1     -16.1161      2.00000
      2     -16.1161      2.00000
      3      -4.6920      2.00000
      4      -4.3751      2.00000
      5      -4.3751      2.00000
      6      -4.0486      2.00000
      7      -3.7548      2.00000
      8      -3.7548      2.00000
      9      -3.5023      2.00000
     10      -3.3753      2.00000
     11      -3.2404      2.00000
     12      -3.2404      2.00000
     13      -2.5856      2.00000
     14      -2.4789      2.00000
     15      -2.4788      2.00000
     16      -0.7639      2.00000
     17      -0.7587      2.00000
     18      -0.7587      2.00000
     19       8.6050      0.00000
     20       8.7569      0.00000
     21       8.7572      0.00000
     22       9.0992      0.00000
     23      11.3715      0.00000
     24      11.3717      0.00000
     25      14.2284      0.00000
     26      15.1858      0.00000
     27      15.1860      0.00000
     28      21.0678      0.00000
     29      22.0116      0.00000
     30      22.0117      0.00000
     31      23.9941      0.00000
     32      25.6880      0.00000

 k-point   176 :       0.3333    0.3333    0.1053
  band No.  band energies     occupation 
      1     -16.1171      2.00000
      2     -16.1171      2.00000
      3      -4.6985      2.00000
      4      -4.3512      2.00000
      5      -4.3512      2.00000
      6      -4.0260      2.00000
      7      -3.7332      2.00000
      8      -3.7332      2.00000
      9      -3.5065      2.00000
     10      -3.3735      2.00000
     11      -3.2757      2.00000
     12      -3.2757      2.00000
     13      -2.6223      2.00000
     14      -2.4688      2.00000
     15      -2.4688      2.00000
     16      -0.7983      2.00000
     17      -0.7982      2.00000
     18      -0.7338      2.00000
     19       8.5887      0.00000
     20       8.7498      0.00000
     21       8.7501      0.00000
     22       9.1022      0.00000
     23      11.4926      0.00000
     24      11.4928      0.00000
     25      14.1647      0.00000
     26      15.0480      0.00000
     27      15.0482      0.00000
     28      21.3908      0.00000
     29      22.1173      0.00000
     30      22.1174      0.00000
     31      23.8671      0.00000
     32      25.7457      0.00000

 k-point   177 :       0.3333    0.3333    0.0789
  band No.  band energies     occupation 
      1     -16.1176      2.00000
      2     -16.1175      2.00000
      3      -4.7032      2.00000
      4      -4.3316      2.00000
      5      -4.3316      2.00000
      6      -4.0072      2.00000
      7      -3.7115      2.00000
      8      -3.7115      2.00000
      9      -3.5102      2.00000
     10      -3.3722      2.00000
     11      -3.3081      2.00000
     12      -3.3081      2.00000
     13      -2.6517      2.00000
     14      -2.4606      2.00000
     15      -2.4606      2.00000
     16      -0.8297      2.00000
     17      -0.8297      2.00000
     18      -0.7100      2.00000
     19       8.5758      0.00000
     20       8.7449      0.00000
     21       8.7452      0.00000
     22       9.1047      0.00000
     23      11.5976      0.00000
     24      11.5978      0.00000
     25      14.1155      0.00000
     26      14.9318      0.00000
     27      14.9319      0.00000
     28      21.6919      0.00000
     29      22.2045      0.00000
     30      22.2047      0.00000
     31      23.7264      0.00000
     32      25.7945      0.00000

 k-point   178 :       0.3333    0.3333    0.0526
  band No.  band energies     occupation 
      1     -16.1183      2.00000
      2     -16.1183      2.00000
      3      -4.7066      2.00000
      4      -4.3173      2.00000
      5      -4.3173      2.00000
      6      -3.9933      2.00000
      7      -3.6922      2.00000
      8      -3.6922      2.00000
      9      -3.5130      2.00000
     10      -3.3712      2.00000
     11      -3.3354      2.00000
     12      -3.3354      2.00000
     13      -2.6731      2.00000
     14      -2.4548      2.00000
     15      -2.4547      2.00000
     16      -0.8537      2.00000
     17      -0.8536      2.00000
     18      -0.6938      2.00000
     19       8.5661      0.00000
     20       8.7409      0.00000
     21       8.7411      0.00000
     22       9.1063      0.00000
     23      11.6777      0.00000
     24      11.6779      0.00000
     25      14.0793      0.00000
     26      14.8423      0.00000
     27      14.8425      0.00000
     28      21.9547      0.00000
     29      22.2694      0.00000
     30      22.2696      0.00000
     31      23.5820      0.00000
     32      25.8312      0.00000

 k-point   179 :       0.3333    0.3333    0.0263
  band No.  band energies     occupation 
      1     -16.1189      2.00000
      2     -16.1189      2.00000
      3      -4.7087      2.00000
      4      -4.3089      2.00000
      5      -4.3089      2.00000
      6      -3.9845      2.00000
      7      -3.6785      2.00000
      8      -3.6785      2.00000
      9      -3.5148      2.00000
     10      -3.3707      2.00000
     11      -3.3542      2.00000
     12      -3.3542      2.00000
     13      -2.6861      2.00000
     14      -2.4511      2.00000
     15      -2.4511      2.00000
     16      -0.8691      2.00000
     17      -0.8691      2.00000
     18      -0.6837      2.00000
     19       8.5603      0.00000
     20       8.7386      0.00000
     21       8.7389      0.00000
     22       9.1075      0.00000
     23      11.7271      0.00000
     24      11.7273      0.00000
     25      14.0580      0.00000
     26      14.7859      0.00000
     27      14.7860      0.00000
     28      22.1485      0.00000
     29      22.3094      0.00000
     30      22.3096      0.00000
     31      23.4612      0.00000
     32      25.8544      0.00000

 k-point   180 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1     -16.1184      2.00000
      2     -16.1183      2.00000
      3      -4.7094      2.00000
      4      -4.3057      2.00000
      5      -4.3057      2.00000
      6      -3.9807      2.00000
      7      -3.6731      2.00000
      8      -3.6731      2.00000
      9      -3.5153      2.00000
     10      -3.3704      2.00000
     11      -3.3607      2.00000
     12      -3.3607      2.00000
     13      -2.6898      2.00000
     14      -2.4496      2.00000
     15      -2.4495      2.00000
     16      -0.8734      2.00000
     17      -0.8734      2.00000
     18      -0.6800      2.00000
     19       8.5584      0.00000
     20       8.7395      0.00000
     21       8.7397      0.00000
     22       9.1113      0.00000
     23      11.7457      0.00000
     24      11.7458      0.00000
     25      14.0513      0.00000
     26      14.7671      0.00000
     27      14.7672      0.00000
     28      22.2247      0.00000
     29      22.3233      0.00000
     30      22.3235      0.00000
     31      23.4107      0.00000
     32      25.8623      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
 -9.421  -0.000   0.000   0.001   0.000  -9.813  -0.000   0.000
 -0.000  -9.425   0.000  -0.000   0.001  -0.000  -9.816   0.000
  0.000   0.000  -9.424  -0.000  -0.000   0.000   0.000  -9.816
  0.001  -0.000  -0.000  -9.425  -0.000   0.001  -0.000  -0.000
  0.000   0.001  -0.000  -0.000  -9.421   0.000   0.001  -0.000
 -9.813  -0.000   0.000   0.001   0.000 -10.128  -0.000   0.000
 -0.000  -9.816   0.000  -0.000   0.001  -0.000 -10.131   0.000
  0.000   0.000  -9.816  -0.000  -0.000   0.000   0.000 -10.131
  0.001  -0.000  -0.000  -9.816  -0.000   0.001  -0.000  -0.000
  0.000   0.001  -0.000  -0.000  -9.813   0.000   0.001  -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  -0.001  -0.000   0.000  -0.001  -0.000  -0.001  -0.000
  0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.001   0.000   0.000  -0.001  -0.000  -0.000   0.000   0.000
 -0.000  -0.001  -0.000   0.000  -0.001  -0.000  -0.001  -0.000
  0.000   0.000   0.001  -0.000  -0.000   0.000   0.000   0.001
 -0.001   0.000   0.000  -0.001  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  2.000   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   2.000   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   2.000   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   2.000   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   2.000   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   0.000   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   0.000   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   0.000   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
  0.000   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   0.000   0.000   0.000   0.000   0.000   0.000   0.000   2.000   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   0.000   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
  0.000   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   0.000   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   0.000   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   0.000   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   0.000   0.000   0.000   0.000


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





 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.452   0.488   9.906  10.847
    2        0.452   0.488   9.906  10.847
    3        1.563   3.491   0.000   5.054
    4        1.563   3.491   0.000   5.054
--------------------------------------------------
tot          4.030   7.959  19.813  31.802

    CHARGE:  cpu time      0.0664: real time      0.0864
    FORLOC:  cpu time      0.0002: real time      0.0002
    FORNL :  cpu time      0.0871: real time      0.0875
    STRESS:  cpu time      0.6864: real time      0.6915
    FORCOR:  cpu time      0.0036: real time      0.0036
    FORHAR:  cpu time      0.0008: real time      0.0008
    OFIELD:  cpu time      0.0000: real time      0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   235.39032   235.39032   235.39032
  Ewald    -999.72926  -999.72905  -966.92330    -0.00009     0.00000     0.00000
  Hartree   425.95361   425.95367   453.82536    -0.00003    -0.00000     0.00001
  E(xc)    -202.00959  -202.00962  -201.99253    -0.00002     0.00000     0.00000
  Local     160.67637   160.67582   102.18019    -0.00017     0.00000    -0.00002
  n-local  -117.61750  -119.11968  -117.99027     2.07294    -0.00000    -0.00000
  augment    90.29972    90.29956    90.08262    -0.00016    -0.00000    -0.00000
  Kinetic   405.06936   409.68677   404.78325    -5.91565     0.00001     0.00002
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.40960    -0.40960    -0.64435    -0.00000     0.00000     0.00000
  in kB     -13.83665   -13.83665   -21.76691    -0.00000     0.00000     0.00000
  external pressure =      -16.48 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :       47.43
      direct lattice vectors                 reciprocal lattice vectors
     3.236964999 -0.000000000 -0.000000000     0.308931360  0.178361604  0.000000000
    -1.618482500  2.803293921  0.000000000     0.000000000  0.356723208  0.000000000
    -0.000000000  0.000000000  5.226708208     0.000000000  0.000000000  0.191325010

  length of vectors
     3.236964999  3.236964999  5.226708208     0.356723208  0.356723208  0.191325010


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.488E-05 0.418E-05 -.330E+00   -.259E-04 -.314E-04 0.146E+01   0.566E-17 -.779E-18 -.241E+00   0.181E-01 -.979E-02 -.767E+00
   -.441E-05 -.436E-05 -.330E+00   0.259E-04 0.314E-04 0.146E+01   -.222E-17 0.589E-17 -.241E+00   -.191E-01 0.979E-02 -.767E+00
   0.169E-04 -.501E-04 0.113E+01   -.240E-04 -.291E-04 -.146E+01   0.391E-17 0.274E-17 0.791E-01   0.450E-02 -.241E-02 0.120E+00
   0.102E-03 0.501E-04 0.113E+01   0.240E-04 0.291E-04 -.146E+01   -.468E-17 -.681E-18 0.791E-01   -.465E-02 0.241E-02 0.120E+00
 -----------------------------------------------------------------------------------------------
   0.120E-03 -.180E-06 0.160E+01   0.413E-14 0.462E-14 -.666E-15   0.267E-17 0.717E-17 -.323E+00   -.111E-02 0.489E-10 -.129E+01


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.00000      1.86886      0.00984         0.000000      0.000000      0.129380
      1.61848      0.93443      2.62320         0.000000     -0.000000      0.129380
     -0.00000      1.86886      1.98937        -0.000000     -0.000000     -0.129380
      1.61848      0.93443      4.60273        -0.000000     -0.000000     -0.129380
 -----------------------------------------------------------------------------------
    total drift:                               -0.000987     -0.000000     -0.015892


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -18.86338556 eV

  energy  without entropy=      -18.86338556  energy(sigma->0) =      -18.86338556



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


    POTLOK:  cpu time      0.0056: real time      0.0057


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


 writing wavefunctions
     LOOP+:  cpu time      2.5791: real time      3.1991
    4ORBIT:  cpu time      0.0000: real time      0.0000



 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.452   0.488   9.906  10.847
    2        0.452   0.488   9.906  10.847
    3        1.563   3.491   0.000   5.054
    4        1.563   3.491   0.000   5.054
--------------------------------------------------
tot          4.030   7.959  19.813  31.802


 total amount of memory used by VASP MPI-rank0    83053. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      45675. kBytes
   fftplans  :        449. kBytes
   grid      :       1430. kBytes
   one-center:         62. kBytes
   wavefun   :       5437. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):        4.703
                            User time (sec):        3.451
                          System time (sec):        1.252
                         Elapsed time (sec):        7.899
  
                   Maximum memory used (kb):      670476.
                   Average memory used (kb):          N/A
  
                          Minor page faults:        53096
                          Major page faults:         1079
                 Voluntary context switches:         8563
