 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Oct 14 2019 14:20:28) complex          
  
 executed on             LinuxIFC date 2021.05.11  10:58:34
 running on   20 total cores
 distrk:  each k-point on   20 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,   20 groups


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


 INCAR:
 POTCAR:    PAW_PBE C 08Apr2002                   

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

 POTCAR:    PAW_PBE C 08Apr2002                   
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =    0.863    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   =  644.873                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.501    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -273.3789   2.0000                                         
     2  0  0.50       -13.7508   2.0000                                         
     2  1  0.50        -5.2854   2.0000                                         
     3  2  1.50        -5.4423   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -13.7508458     23  1.200                                             
     0     -8.2022199     23  1.200                                             
     1     -5.2854383     23  1.500                                             
     1     34.0145650     23  1.500                                             
     2     -5.4423304      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
  PAW_PBE C 08Apr2002                   :
 energy of atom  1       EATOM= -147.1560
 kinetic energy error for atom=    0.0045 (will be added to EATOM!!)
 
 
 POSCAR: diamond                                 
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   5 1.54   7 1.54   8 1.54   6 1.54
   2  0.000  0.500  0.500-   6 1.54   5 1.54   8 1.54   7 1.54
   3  0.500  0.500  0.000-   6 1.54   5 1.54   7 1.54   8 1.54
   4  0.500  0.000  0.500-   6 1.54   7 1.54   8 1.54   5 1.54
   5  0.750  0.250  0.750-   1 1.54   2 1.54   3 1.54   4 1.54
   6  0.250  0.250  0.250-   1 1.54   2 1.54   3 1.54   4 1.54
   7  0.250  0.750  0.750-   1 1.54   3 1.54   4 1.54   2 1.54
   8  0.750  0.750  0.250-   1 1.54   2 1.54   4 1.54   3 1.54
 
  LATTYP: Found a simple cubic cell.
 ALAT       =     3.5559999943
  
  Lattice vectors:
  
 A1 = (   3.5559999943,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   3.5559999943,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   3.5559999943)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     3.5559999943
  
  Lattice vectors:
  
 A1 = (   1.7779999972,   1.7779999972,   0.0000000000)
 A2 = (   1.7779999972,   0.0000000000,  -1.7779999971)
 A3 = (   0.0000000000,   1.7779999972,  -1.7779999971)
 
   4 primitive cells build up your supercell.
 

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


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


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


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     3.5559999943
  
  Lattice vectors:
  
 A1 = (   1.7779999972,   1.7779999972,   0.0000000000)
 A2 = (   1.7779999972,   0.0000000000,  -1.7779999971)
 A3 = (   0.0000000000,   1.7779999972,  -1.7779999971)
 
   4 primitive cells build up your supercell.
 

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


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


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


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 24 operations are pure point group operations),
 and found     4 'primitive' translations

 
 
 KPOINTS: Generate k-mesh automatically           

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
    6    -1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    8     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    9     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   10    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   11    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   13     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   14     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   15     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   16    -1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   17    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   18    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   19     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   20     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   21     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   22    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   23    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   25    -1.000000     0.000000     1.000000     0.000000     0.000000     0.750000     0.750000    -0.750000
   26    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.750000     0.750000    -0.750000
   27    -1.000000   120.000000     0.577350     0.577350     0.577350     0.750000     0.750000    -0.750000
   28     1.000000    90.000000     0.000000     0.000000    -1.000000     0.750000     0.750000    -0.750000
   29     1.000000   180.000000     0.000000     0.707107     0.707107     0.750000     0.750000    -0.750000
   30     1.000000    90.000000     0.000000     1.000000     0.000000     0.750000     0.750000    -0.750000
   31    -1.000000   180.000000     0.000000     0.000000     1.000000     0.750000     0.750000    -0.750000
   32    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.750000     0.750000    -0.750000
   33    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.750000     0.750000    -0.750000
   34     1.000000    90.000000     0.000000     0.000000     1.000000     0.750000     0.750000    -0.750000
   35     1.000000    90.000000    -1.000000     0.000000     0.000000     0.750000     0.750000    -0.750000
   36     1.000000   180.000000     0.707107     0.000000     0.707107     0.750000     0.750000    -0.750000
   37    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.750000     0.750000    -0.750000
   38    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.750000     0.750000    -0.750000
   39    -1.000000   180.000000     1.000000     0.000000     0.000000     0.750000     0.750000    -0.750000
   40     1.000000    90.000000     0.000000    -1.000000     0.000000     0.750000     0.750000    -0.750000
   41     1.000000   180.000000     0.707107     0.707107     0.000000     0.750000     0.750000    -0.750000
   42     1.000000    90.000000     1.000000     0.000000     0.000000     0.750000     0.750000    -0.750000
   43    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.750000     0.750000    -0.750000
   44    -1.000000   180.000000     0.000000     1.000000     0.000000     0.750000     0.750000    -0.750000
   45    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.750000     0.750000    -0.750000
   46     1.000000   180.000000     0.000000    -0.707107     0.707107     0.750000     0.750000    -0.750000
   47     1.000000   180.000000     0.707107    -0.707107     0.000000     0.750000     0.750000    -0.750000
   48     1.000000   180.000000     0.707107     0.000000    -0.707107     0.750000     0.750000    -0.750000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    120 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.066667  0.000000  0.000000      6.000000
  0.133333  0.000000  0.000000      6.000000
  0.200000  0.000000  0.000000      6.000000
  0.266667  0.000000  0.000000      6.000000
  0.333333  0.000000  0.000000      6.000000
  0.400000  0.000000  0.000000      6.000000
  0.466667  0.000000  0.000000      6.000000
  0.066667  0.066667  0.000000     12.000000
  0.133333  0.066667  0.000000     24.000000
  0.200000  0.066667  0.000000     24.000000
  0.266667  0.066667  0.000000     24.000000
  0.333333  0.066667  0.000000     24.000000
  0.400000  0.066667  0.000000     24.000000
  0.466667  0.066667  0.000000     24.000000
  0.133333  0.133333  0.000000     12.000000
  0.200000  0.133333  0.000000     24.000000
  0.266667  0.133333  0.000000     24.000000
  0.333333  0.133333  0.000000     24.000000
  0.400000  0.133333  0.000000     24.000000
  0.466667  0.133333  0.000000     24.000000
  0.200000  0.200000  0.000000     12.000000
  0.266667  0.200000  0.000000     24.000000
  0.333333  0.200000  0.000000     24.000000
  0.400000  0.200000  0.000000     24.000000
  0.466667  0.200000  0.000000     24.000000
  0.266667  0.266667  0.000000     12.000000
  0.333333  0.266667  0.000000     24.000000
  0.400000  0.266667  0.000000     24.000000
  0.466667  0.266667  0.000000     24.000000
  0.333333  0.333333  0.000000     12.000000
  0.400000  0.333333  0.000000     24.000000
  0.466667  0.333333  0.000000     24.000000
  0.400000  0.400000  0.000000     12.000000
  0.466667  0.400000  0.000000     24.000000
  0.466667  0.466667  0.000000     12.000000
  0.066667  0.066667  0.066667      8.000000
  0.133333  0.066667  0.066667     24.000000
  0.200000  0.066667  0.066667     24.000000
  0.266667  0.066667  0.066667     24.000000
  0.333333  0.066667  0.066667     24.000000
  0.400000  0.066667  0.066667     24.000000
  0.466667  0.066667  0.066667     24.000000
  0.133333  0.133333  0.066667     24.000000
  0.200000  0.133333  0.066667     48.000000
  0.266667  0.133333  0.066667     48.000000
  0.333333  0.133333  0.066667     48.000000
  0.400000  0.133333  0.066667     48.000000
  0.466667  0.133333  0.066667     48.000000
  0.200000  0.200000  0.066667     24.000000
  0.266667  0.200000  0.066667     48.000000
  0.333333  0.200000  0.066667     48.000000
  0.400000  0.200000  0.066667     48.000000
  0.466667  0.200000  0.066667     48.000000
  0.266667  0.266667  0.066667     24.000000
  0.333333  0.266667  0.066667     48.000000
  0.400000  0.266667  0.066667     48.000000
  0.466667  0.266667  0.066667     48.000000
  0.333333  0.333333  0.066667     24.000000
  0.400000  0.333333  0.066667     48.000000
  0.466667  0.333333  0.066667     48.000000
  0.400000  0.400000  0.066667     24.000000
  0.466667  0.400000  0.066667     48.000000
  0.466667  0.466667  0.066667     24.000000
  0.133333  0.133333  0.133333      8.000000
  0.200000  0.133333  0.133333     24.000000
  0.266667  0.133333  0.133333     24.000000
  0.333333  0.133333  0.133333     24.000000
  0.400000  0.133333  0.133333     24.000000
  0.466667  0.133333  0.133333     24.000000
  0.200000  0.200000  0.133333     24.000000
  0.266667  0.200000  0.133333     48.000000
  0.333333  0.200000  0.133333     48.000000
  0.400000  0.200000  0.133333     48.000000
  0.466667  0.200000  0.133333     48.000000
  0.266667  0.266667  0.133333     24.000000
  0.333333  0.266667  0.133333     48.000000
  0.400000  0.266667  0.133333     48.000000
  0.466667  0.266667  0.133333     48.000000
  0.333333  0.333333  0.133333     24.000000
  0.400000  0.333333  0.133333     48.000000
  0.466667  0.333333  0.133333     48.000000
  0.400000  0.400000  0.133333     24.000000
  0.466667  0.400000  0.133333     48.000000
  0.466667  0.466667  0.133333     24.000000
  0.200000  0.200000  0.200000      8.000000
  0.266667  0.200000  0.200000     24.000000
  0.333333  0.200000  0.200000     24.000000
  0.400000  0.200000  0.200000     24.000000
  0.466667  0.200000  0.200000     24.000000
  0.266667  0.266667  0.200000     24.000000
  0.333333  0.266667  0.200000     48.000000
  0.400000  0.266667  0.200000     48.000000
  0.466667  0.266667  0.200000     48.000000
  0.333333  0.333333  0.200000     24.000000
  0.400000  0.333333  0.200000     48.000000
  0.466667  0.333333  0.200000     48.000000
  0.400000  0.400000  0.200000     24.000000
  0.466667  0.400000  0.200000     48.000000
  0.466667  0.466667  0.200000     24.000000
  0.266667  0.266667  0.266667      8.000000
  0.333333  0.266667  0.266667     24.000000
  0.400000  0.266667  0.266667     24.000000
  0.466667  0.266667  0.266667     24.000000
  0.333333  0.333333  0.266667     24.000000
  0.400000  0.333333  0.266667     48.000000
  0.466667  0.333333  0.266667     48.000000
  0.400000  0.400000  0.266667     24.000000
  0.466667  0.400000  0.266667     48.000000
  0.466667  0.466667  0.266667     24.000000
  0.333333  0.333333  0.333333      8.000000
  0.400000  0.333333  0.333333     24.000000
  0.466667  0.333333  0.333333     24.000000
  0.400000  0.400000  0.333333     24.000000
  0.466667  0.400000  0.333333     48.000000
  0.466667  0.466667  0.333333     24.000000
  0.400000  0.400000  0.400000      8.000000
  0.466667  0.400000  0.400000     24.000000
  0.466667  0.466667  0.400000     24.000000
  0.466667  0.466667  0.466667      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.018748  0.000000  0.000000      6.000000
  0.037495  0.000000  0.000000      6.000000
  0.056243  0.000000  0.000000      6.000000
  0.074991  0.000000  0.000000      6.000000
  0.093738  0.000000  0.000000      6.000000
  0.112486  0.000000  0.000000      6.000000
  0.131234  0.000000  0.000000      6.000000
  0.018748  0.018748  0.000000     12.000000
  0.037495  0.018748  0.000000     24.000000
  0.056243  0.018748  0.000000     24.000000
  0.074991  0.018748  0.000000     24.000000
  0.093738  0.018748  0.000000     24.000000
  0.112486  0.018748  0.000000     24.000000
  0.131234  0.018748  0.000000     24.000000
  0.037495  0.037495  0.000000     12.000000
  0.056243  0.037495  0.000000     24.000000
  0.074991  0.037495  0.000000     24.000000
  0.093738  0.037495  0.000000     24.000000
  0.112486  0.037495  0.000000     24.000000
  0.131234  0.037495  0.000000     24.000000
  0.056243  0.056243  0.000000     12.000000
  0.074991  0.056243  0.000000     24.000000
  0.093738  0.056243  0.000000     24.000000
  0.112486  0.056243  0.000000     24.000000
  0.131234  0.056243  0.000000     24.000000
  0.074991  0.074991  0.000000     12.000000
  0.093738  0.074991  0.000000     24.000000
  0.112486  0.074991  0.000000     24.000000
  0.131234  0.074991  0.000000     24.000000
  0.093738  0.093738  0.000000     12.000000
  0.112486  0.093738  0.000000     24.000000
  0.131234  0.093738  0.000000     24.000000
  0.112486  0.112486  0.000000     12.000000
  0.131234  0.112486  0.000000     24.000000
  0.131234  0.131234  0.000000     12.000000
  0.018748  0.018748  0.018748      8.000000
  0.037495  0.018748  0.018748     24.000000
  0.056243  0.018748  0.018748     24.000000
  0.074991  0.018748  0.018748     24.000000
  0.093738  0.018748  0.018748     24.000000
  0.112486  0.018748  0.018748     24.000000
  0.131234  0.018748  0.018748     24.000000
  0.037495  0.037495  0.018748     24.000000
  0.056243  0.037495  0.018748     48.000000
  0.074991  0.037495  0.018748     48.000000
  0.093738  0.037495  0.018748     48.000000
  0.112486  0.037495  0.018748     48.000000
  0.131234  0.037495  0.018748     48.000000
  0.056243  0.056243  0.018748     24.000000
  0.074991  0.056243  0.018748     48.000000
  0.093738  0.056243  0.018748     48.000000
  0.112486  0.056243  0.018748     48.000000
  0.131234  0.056243  0.018748     48.000000
  0.074991  0.074991  0.018748     24.000000
  0.093738  0.074991  0.018748     48.000000
  0.112486  0.074991  0.018748     48.000000
  0.131234  0.074991  0.018748     48.000000
  0.093738  0.093738  0.018748     24.000000
  0.112486  0.093738  0.018748     48.000000
  0.131234  0.093738  0.018748     48.000000
  0.112486  0.112486  0.018748     24.000000
  0.131234  0.112486  0.018748     48.000000
  0.131234  0.131234  0.018748     24.000000
  0.037495  0.037495  0.037495      8.000000
  0.056243  0.037495  0.037495     24.000000
  0.074991  0.037495  0.037495     24.000000
  0.093738  0.037495  0.037495     24.000000
  0.112486  0.037495  0.037495     24.000000
  0.131234  0.037495  0.037495     24.000000
  0.056243  0.056243  0.037495     24.000000
  0.074991  0.056243  0.037495     48.000000
  0.093738  0.056243  0.037495     48.000000
  0.112486  0.056243  0.037495     48.000000
  0.131234  0.056243  0.037495     48.000000
  0.074991  0.074991  0.037495     24.000000
  0.093738  0.074991  0.037495     48.000000
  0.112486  0.074991  0.037495     48.000000
  0.131234  0.074991  0.037495     48.000000
  0.093738  0.093738  0.037495     24.000000
  0.112486  0.093738  0.037495     48.000000
  0.131234  0.093738  0.037495     48.000000
  0.112486  0.112486  0.037495     24.000000
  0.131234  0.112486  0.037495     48.000000
  0.131234  0.131234  0.037495     24.000000
  0.056243  0.056243  0.056243      8.000000
  0.074991  0.056243  0.056243     24.000000
  0.093738  0.056243  0.056243     24.000000
  0.112486  0.056243  0.056243     24.000000
  0.131234  0.056243  0.056243     24.000000
  0.074991  0.074991  0.056243     24.000000
  0.093738  0.074991  0.056243     48.000000
  0.112486  0.074991  0.056243     48.000000
  0.131234  0.074991  0.056243     48.000000
  0.093738  0.093738  0.056243     24.000000
  0.112486  0.093738  0.056243     48.000000
  0.131234  0.093738  0.056243     48.000000
  0.112486  0.112486  0.056243     24.000000
  0.131234  0.112486  0.056243     48.000000
  0.131234  0.131234  0.056243     24.000000
  0.074991  0.074991  0.074991      8.000000
  0.093738  0.074991  0.074991     24.000000
  0.112486  0.074991  0.074991     24.000000
  0.131234  0.074991  0.074991     24.000000
  0.093738  0.093738  0.074991     24.000000
  0.112486  0.093738  0.074991     48.000000
  0.131234  0.093738  0.074991     48.000000
  0.112486  0.112486  0.074991     24.000000
  0.131234  0.112486  0.074991     48.000000
  0.131234  0.131234  0.074991     24.000000
  0.093738  0.093738  0.093738      8.000000
  0.112486  0.093738  0.093738     24.000000
  0.131234  0.093738  0.093738     24.000000
  0.112486  0.112486  0.093738     24.000000
  0.131234  0.112486  0.093738     48.000000
  0.131234  0.131234  0.093738     24.000000
  0.112486  0.112486  0.112486      8.000000
  0.131234  0.112486  0.112486     24.000000
  0.131234  0.131234  0.112486     24.000000
  0.131234  0.131234  0.131234      8.000000
 
 TETIRR: Found   1667 inequivalent tetrahedra from    20250


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




 Dimension of arrays:
   k-points           NKPTS =    120   k-points in BZ     NKDIM =    120   number of bands    NBANDS=     40
   number of dos      NEDOS =    301   number of ions     NIONS =      8
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  27000
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   7285
   dimension x,y,z NGX =    30 NGY =   30 NGZ =   30
   dimension x,y,z NGXF=    60 NGYF=   60 NGZF=   60
   support grid    NGXF=    60 NGYF=   60 NGZF=   60
   ions per type =               8
   NGX,Y,Z   is equivalent  to a cutoff of  14.03, 14.03, 14.03 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  28.05, 28.05, 28.05 a.u.

 SYSTEM =  Si                                      
 POSCAR =  diamond                                 

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

 Electronic Relaxation 1
   ENCUT  =  650.0 eV  47.77 Ry    6.91 a.u.   7.39  7.39  7.39*2*pi/ulx,y,z
   ENINI  =  650.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = -.1E-04   stopping-criterion for IOM
   NSW    =   5000    number of steps for IOM
   NBLOCK =      1;   KBLOCK =   5000    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.289E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  12.01
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      32.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

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

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

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.62E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =       5.62        37.93
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.461604  2.762031 29.065941  2.136286
  Thomas-Fermi vector in A             =   2.577916
 
 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

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

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



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


 conjugate gradient relaxation of ions
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           24
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi weights with tetrahedron method with Bloechl corrections


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


  energy-cutoff  :      650.00
  volume of cell :       44.97
      direct lattice vectors                 reciprocal lattice vectors
     3.555999994  0.000000000  0.000000000     0.281214849  0.000000000  0.000000000
     0.000000000  3.555999994  0.000000000     0.000000000  0.281214849  0.000000000
     0.000000000  0.000000000  3.555999994     0.000000000  0.000000000  0.281214849

  length of vectors
     3.555999994  3.555999994  3.555999994     0.281214849  0.281214849  0.281214849


 
 k-points in units of 2pi/SCALE and weight: Generate k-mesh automatically           
   0.00000000  0.00000000  0.00000000       0.000
   0.01874766  0.00000000  0.00000000       0.002
   0.03749531  0.00000000  0.00000000       0.002
   0.05624297  0.00000000  0.00000000       0.002
   0.07499063  0.00000000  0.00000000       0.002
   0.09373828  0.00000000  0.00000000       0.002
   0.11248594  0.00000000  0.00000000       0.002
   0.13123360  0.00000000  0.00000000       0.002
   0.01874766  0.01874766  0.00000000       0.004
   0.03749531  0.01874766  0.00000000       0.007
   0.05624297  0.01874766  0.00000000       0.007
   0.07499063  0.01874766  0.00000000       0.007
   0.09373828  0.01874766  0.00000000       0.007
   0.11248594  0.01874766  0.00000000       0.007
   0.13123360  0.01874766  0.00000000       0.007
   0.03749531  0.03749531  0.00000000       0.004
   0.05624297  0.03749531  0.00000000       0.007
   0.07499063  0.03749531  0.00000000       0.007
   0.09373828  0.03749531  0.00000000       0.007
   0.11248594  0.03749531  0.00000000       0.007
   0.13123360  0.03749531  0.00000000       0.007
   0.05624297  0.05624297  0.00000000       0.004
   0.07499063  0.05624297  0.00000000       0.007
   0.09373828  0.05624297  0.00000000       0.007
   0.11248594  0.05624297  0.00000000       0.007
   0.13123360  0.05624297  0.00000000       0.007
   0.07499063  0.07499063  0.00000000       0.004
   0.09373828  0.07499063  0.00000000       0.007
   0.11248594  0.07499063  0.00000000       0.007
   0.13123360  0.07499063  0.00000000       0.007
   0.09373828  0.09373828  0.00000000       0.004
   0.11248594  0.09373828  0.00000000       0.007
   0.13123360  0.09373828  0.00000000       0.007
   0.11248594  0.11248594  0.00000000       0.004
   0.13123360  0.11248594  0.00000000       0.007
   0.13123360  0.13123360  0.00000000       0.004
   0.01874766  0.01874766  0.01874766       0.002
   0.03749531  0.01874766  0.01874766       0.007
   0.05624297  0.01874766  0.01874766       0.007
   0.07499063  0.01874766  0.01874766       0.007
   0.09373828  0.01874766  0.01874766       0.007
   0.11248594  0.01874766  0.01874766       0.007
   0.13123360  0.01874766  0.01874766       0.007
   0.03749531  0.03749531  0.01874766       0.007
   0.05624297  0.03749531  0.01874766       0.014
   0.07499063  0.03749531  0.01874766       0.014
   0.09373828  0.03749531  0.01874766       0.014
   0.11248594  0.03749531  0.01874766       0.014
   0.13123360  0.03749531  0.01874766       0.014
   0.05624297  0.05624297  0.01874766       0.007
   0.07499063  0.05624297  0.01874766       0.014
   0.09373828  0.05624297  0.01874766       0.014
   0.11248594  0.05624297  0.01874766       0.014
   0.13123360  0.05624297  0.01874766       0.014
   0.07499063  0.07499063  0.01874766       0.007
   0.09373828  0.07499063  0.01874766       0.014
   0.11248594  0.07499063  0.01874766       0.014
   0.13123360  0.07499063  0.01874766       0.014
   0.09373828  0.09373828  0.01874766       0.007
   0.11248594  0.09373828  0.01874766       0.014
   0.13123360  0.09373828  0.01874766       0.014
   0.11248594  0.11248594  0.01874766       0.007
   0.13123360  0.11248594  0.01874766       0.014
   0.13123360  0.13123360  0.01874766       0.007
   0.03749531  0.03749531  0.03749531       0.002
   0.05624297  0.03749531  0.03749531       0.007
   0.07499063  0.03749531  0.03749531       0.007
   0.09373828  0.03749531  0.03749531       0.007
   0.11248594  0.03749531  0.03749531       0.007
   0.13123360  0.03749531  0.03749531       0.007
   0.05624297  0.05624297  0.03749531       0.007
   0.07499063  0.05624297  0.03749531       0.014
   0.09373828  0.05624297  0.03749531       0.014
   0.11248594  0.05624297  0.03749531       0.014
   0.13123360  0.05624297  0.03749531       0.014
   0.07499063  0.07499063  0.03749531       0.007
   0.09373828  0.07499063  0.03749531       0.014
   0.11248594  0.07499063  0.03749531       0.014
   0.13123360  0.07499063  0.03749531       0.014
   0.09373828  0.09373828  0.03749531       0.007
   0.11248594  0.09373828  0.03749531       0.014
   0.13123360  0.09373828  0.03749531       0.014
   0.11248594  0.11248594  0.03749531       0.007
   0.13123360  0.11248594  0.03749531       0.014
   0.13123360  0.13123360  0.03749531       0.007
   0.05624297  0.05624297  0.05624297       0.002
   0.07499063  0.05624297  0.05624297       0.007
   0.09373828  0.05624297  0.05624297       0.007
   0.11248594  0.05624297  0.05624297       0.007
   0.13123360  0.05624297  0.05624297       0.007
   0.07499063  0.07499063  0.05624297       0.007
   0.09373828  0.07499063  0.05624297       0.014
   0.11248594  0.07499063  0.05624297       0.014
   0.13123360  0.07499063  0.05624297       0.014
   0.09373828  0.09373828  0.05624297       0.007
   0.11248594  0.09373828  0.05624297       0.014
   0.13123360  0.09373828  0.05624297       0.014
   0.11248594  0.11248594  0.05624297       0.007
   0.13123360  0.11248594  0.05624297       0.014
   0.13123360  0.13123360  0.05624297       0.007
   0.07499063  0.07499063  0.07499063       0.002
   0.09373828  0.07499063  0.07499063       0.007
   0.11248594  0.07499063  0.07499063       0.007
   0.13123360  0.07499063  0.07499063       0.007
   0.09373828  0.09373828  0.07499063       0.007
   0.11248594  0.09373828  0.07499063       0.014
   0.13123360  0.09373828  0.07499063       0.014
   0.11248594  0.11248594  0.07499063       0.007
   0.13123360  0.11248594  0.07499063       0.014
   0.13123360  0.13123360  0.07499063       0.007
   0.09373828  0.09373828  0.09373828       0.002
   0.11248594  0.09373828  0.09373828       0.007
   0.13123360  0.09373828  0.09373828       0.007
   0.11248594  0.11248594  0.09373828       0.007
   0.13123360  0.11248594  0.09373828       0.014
   0.13123360  0.13123360  0.09373828       0.007
   0.11248594  0.11248594  0.11248594       0.002
   0.13123360  0.11248594  0.11248594       0.007
   0.13123360  0.13123360  0.11248594       0.007
   0.13123360  0.13123360  0.13123360       0.002
 
 k-points in reciprocal lattice and weights: Generate k-mesh automatically           
   0.00000000  0.00000000  0.00000000       0.000
   0.06666667  0.00000000  0.00000000       0.002
   0.13333333  0.00000000  0.00000000       0.002
   0.20000000  0.00000000  0.00000000       0.002
   0.26666667  0.00000000  0.00000000       0.002
   0.33333333  0.00000000  0.00000000       0.002
   0.40000000  0.00000000  0.00000000       0.002
   0.46666667  0.00000000  0.00000000       0.002
   0.06666667  0.06666667  0.00000000       0.004
   0.13333333  0.06666667  0.00000000       0.007
   0.20000000  0.06666667  0.00000000       0.007
   0.26666667  0.06666667  0.00000000       0.007
   0.33333333  0.06666667  0.00000000       0.007
   0.40000000  0.06666667  0.00000000       0.007
   0.46666667  0.06666667  0.00000000       0.007
   0.13333333  0.13333333  0.00000000       0.004
   0.20000000  0.13333333  0.00000000       0.007
   0.26666667  0.13333333  0.00000000       0.007
   0.33333333  0.13333333  0.00000000       0.007
   0.40000000  0.13333333  0.00000000       0.007
   0.46666667  0.13333333  0.00000000       0.007
   0.20000000  0.20000000  0.00000000       0.004
   0.26666667  0.20000000  0.00000000       0.007
   0.33333333  0.20000000  0.00000000       0.007
   0.40000000  0.20000000  0.00000000       0.007
   0.46666667  0.20000000  0.00000000       0.007
   0.26666667  0.26666667  0.00000000       0.004
   0.33333333  0.26666667  0.00000000       0.007
   0.40000000  0.26666667  0.00000000       0.007
   0.46666667  0.26666667  0.00000000       0.007
   0.33333333  0.33333333  0.00000000       0.004
   0.40000000  0.33333333  0.00000000       0.007
   0.46666667  0.33333333  0.00000000       0.007
   0.40000000  0.40000000  0.00000000       0.004
   0.46666667  0.40000000  0.00000000       0.007
   0.46666667  0.46666667  0.00000000       0.004
   0.06666667  0.06666667  0.06666667       0.002
   0.13333333  0.06666667  0.06666667       0.007
   0.20000000  0.06666667  0.06666667       0.007
   0.26666667  0.06666667  0.06666667       0.007
   0.33333333  0.06666667  0.06666667       0.007
   0.40000000  0.06666667  0.06666667       0.007
   0.46666667  0.06666667  0.06666667       0.007
   0.13333333  0.13333333  0.06666667       0.007
   0.20000000  0.13333333  0.06666667       0.014
   0.26666667  0.13333333  0.06666667       0.014
   0.33333333  0.13333333  0.06666667       0.014
   0.40000000  0.13333333  0.06666667       0.014
   0.46666667  0.13333333  0.06666667       0.014
   0.20000000  0.20000000  0.06666667       0.007
   0.26666667  0.20000000  0.06666667       0.014
   0.33333333  0.20000000  0.06666667       0.014
   0.40000000  0.20000000  0.06666667       0.014
   0.46666667  0.20000000  0.06666667       0.014
   0.26666667  0.26666667  0.06666667       0.007
   0.33333333  0.26666667  0.06666667       0.014
   0.40000000  0.26666667  0.06666667       0.014
   0.46666667  0.26666667  0.06666667       0.014
   0.33333333  0.33333333  0.06666667       0.007
   0.40000000  0.33333333  0.06666667       0.014
   0.46666667  0.33333333  0.06666667       0.014
   0.40000000  0.40000000  0.06666667       0.007
   0.46666667  0.40000000  0.06666667       0.014
   0.46666667  0.46666667  0.06666667       0.007
   0.13333333  0.13333333  0.13333333       0.002
   0.20000000  0.13333333  0.13333333       0.007
   0.26666667  0.13333333  0.13333333       0.007
   0.33333333  0.13333333  0.13333333       0.007
   0.40000000  0.13333333  0.13333333       0.007
   0.46666667  0.13333333  0.13333333       0.007
   0.20000000  0.20000000  0.13333333       0.007
   0.26666667  0.20000000  0.13333333       0.014
   0.33333333  0.20000000  0.13333333       0.014
   0.40000000  0.20000000  0.13333333       0.014
   0.46666667  0.20000000  0.13333333       0.014
   0.26666667  0.26666667  0.13333333       0.007
   0.33333333  0.26666667  0.13333333       0.014
   0.40000000  0.26666667  0.13333333       0.014
   0.46666667  0.26666667  0.13333333       0.014
   0.33333333  0.33333333  0.13333333       0.007
   0.40000000  0.33333333  0.13333333       0.014
   0.46666667  0.33333333  0.13333333       0.014
   0.40000000  0.40000000  0.13333333       0.007
   0.46666667  0.40000000  0.13333333       0.014
   0.46666667  0.46666667  0.13333333       0.007
   0.20000000  0.20000000  0.20000000       0.002
   0.26666667  0.20000000  0.20000000       0.007
   0.33333333  0.20000000  0.20000000       0.007
   0.40000000  0.20000000  0.20000000       0.007
   0.46666667  0.20000000  0.20000000       0.007
   0.26666667  0.26666667  0.20000000       0.007
   0.33333333  0.26666667  0.20000000       0.014
   0.40000000  0.26666667  0.20000000       0.014
   0.46666667  0.26666667  0.20000000       0.014
   0.33333333  0.33333333  0.20000000       0.007
   0.40000000  0.33333333  0.20000000       0.014
   0.46666667  0.33333333  0.20000000       0.014
   0.40000000  0.40000000  0.20000000       0.007
   0.46666667  0.40000000  0.20000000       0.014
   0.46666667  0.46666667  0.20000000       0.007
   0.26666667  0.26666667  0.26666667       0.002
   0.33333333  0.26666667  0.26666667       0.007
   0.40000000  0.26666667  0.26666667       0.007
   0.46666667  0.26666667  0.26666667       0.007
   0.33333333  0.33333333  0.26666667       0.007
   0.40000000  0.33333333  0.26666667       0.014
   0.46666667  0.33333333  0.26666667       0.014
   0.40000000  0.40000000  0.26666667       0.007
   0.46666667  0.40000000  0.26666667       0.014
   0.46666667  0.46666667  0.26666667       0.007
   0.33333333  0.33333333  0.33333333       0.002
   0.40000000  0.33333333  0.33333333       0.007
   0.46666667  0.33333333  0.33333333       0.007
   0.40000000  0.40000000  0.33333333       0.007
   0.46666667  0.40000000  0.33333333       0.014
   0.46666667  0.46666667  0.33333333       0.007
   0.40000000  0.40000000  0.40000000       0.002
   0.46666667  0.40000000  0.40000000       0.007
   0.46666667  0.46666667  0.40000000       0.007
   0.46666667  0.46666667  0.46666667       0.002
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.00000000  0.50000000  0.50000000
   0.50000000  0.50000000  0.00000000
   0.50000000  0.00000000  0.50000000
   0.75000002  0.25000000  0.75000002
   0.25000000  0.25000000  0.25000000
   0.25000000  0.75000002  0.75000002
   0.75000002  0.75000002  0.25000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   0.00000000  1.77800000  1.77800000
   1.77800000  1.77800000  0.00000000
   1.77800000  0.00000000  1.77800000
   2.66700006  0.88900000  2.66700006
   0.88900000  0.88900000  0.88900000
   0.88900000  2.66700006  2.66700006
   2.66700006  2.66700006  0.88900000
 


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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    1743
 k-point  2 :   0.0667 0.0000 0.0000  plane waves:    1723
 k-point  3 :   0.1333 0.0000 0.0000  plane waves:    1719
 k-point  4 :   0.2000 0.0000 0.0000  plane waves:    1711
 k-point  5 :   0.2667 0.0000 0.0000  plane waves:    1703
 k-point  6 :   0.3333 0.0000 0.0000  plane waves:    1703
 k-point  7 :   0.4000 0.0000 0.0000  plane waves:    1698
 k-point  8 :   0.4667 0.0000 0.0000  plane waves:    1686
 k-point  9 :   0.0667 0.0667 0.0000  plane waves:    1715
 k-point 10 :   0.1333 0.0667 0.0000  plane waves:    1706
 k-point 11 :   0.2000 0.0667 0.0000  plane waves:    1707
 k-point 12 :   0.2667 0.0667 0.0000  plane waves:    1706
 k-point 13 :   0.3333 0.0667 0.0000  plane waves:    1705
 k-point 14 :   0.4000 0.0667 0.0000  plane waves:    1699
 k-point 15 :   0.4667 0.0667 0.0000  plane waves:    1689
 k-point 16 :   0.1333 0.1333 0.0000  plane waves:    1707
 k-point 17 :   0.2000 0.1333 0.0000  plane waves:    1709
 k-point 18 :   0.2667 0.1333 0.0000  plane waves:    1704
 k-point 19 :   0.3333 0.1333 0.0000  plane waves:    1698
 k-point 20 :   0.4000 0.1333 0.0000  plane waves:    1692
 k-point 21 :   0.4667 0.1333 0.0000  plane waves:    1691
 k-point 22 :   0.2000 0.2000 0.0000  plane waves:    1703
 k-point 23 :   0.2667 0.2000 0.0000  plane waves:    1698
 k-point 24 :   0.3333 0.2000 0.0000  plane waves:    1692
 k-point 25 :   0.4000 0.2000 0.0000  plane waves:    1685
 k-point 26 :   0.4667 0.2000 0.0000  plane waves:    1688
 k-point 27 :   0.2667 0.2667 0.0000  plane waves:    1696
 k-point 28 :   0.3333 0.2667 0.0000  plane waves:    1688
 k-point 29 :   0.4000 0.2667 0.0000  plane waves:    1678
 k-point 30 :   0.4667 0.2667 0.0000  plane waves:    1688
 k-point 31 :   0.3333 0.3333 0.0000  plane waves:    1682
 k-point 32 :   0.4000 0.3333 0.0000  plane waves:    1680
 k-point 33 :   0.4667 0.3333 0.0000  plane waves:    1678
 k-point 34 :   0.4000 0.4000 0.0000  plane waves:    1680
 k-point 35 :   0.4667 0.4000 0.0000  plane waves:    1678
 k-point 36 :   0.4667 0.4667 0.0000  plane waves:    1680
 k-point 37 :   0.0667 0.0667 0.0667  plane waves:    1716
 k-point 38 :   0.1333 0.0667 0.0667  plane waves:    1711
 k-point 39 :   0.2000 0.0667 0.0667  plane waves:    1702
 k-point 40 :   0.2667 0.0667 0.0667  plane waves:    1702
 k-point 41 :   0.3333 0.0667 0.0667  plane waves:    1701
 k-point 42 :   0.4000 0.0667 0.0667  plane waves:    1703
 k-point 43 :   0.4667 0.0667 0.0667  plane waves:    1690
 k-point 44 :   0.1333 0.1333 0.0667  plane waves:    1704
 k-point 45 :   0.2000 0.1333 0.0667  plane waves:    1700
 k-point 46 :   0.2667 0.1333 0.0667  plane waves:    1699
 k-point 47 :   0.3333 0.1333 0.0667  plane waves:    1698
 k-point 48 :   0.4000 0.1333 0.0667  plane waves:    1694
 k-point 49 :   0.4667 0.1333 0.0667  plane waves:    1693
 k-point 50 :   0.2000 0.2000 0.0667  plane waves:    1702
 k-point 51 :   0.2667 0.2000 0.0667  plane waves:    1699
 k-point 52 :   0.3333 0.2000 0.0667  plane waves:    1693
 k-point 53 :   0.4000 0.2000 0.0667  plane waves:    1684
 k-point 54 :   0.4667 0.2000 0.0667  plane waves:    1685
 k-point 55 :   0.2667 0.2667 0.0667  plane waves:    1695
 k-point 56 :   0.3333 0.2667 0.0667  plane waves:    1684
 k-point 57 :   0.4000 0.2667 0.0667  plane waves:    1681
 k-point 58 :   0.4667 0.2667 0.0667  plane waves:    1687
 k-point 59 :   0.3333 0.3333 0.0667  plane waves:    1685
 k-point 60 :   0.4000 0.3333 0.0667  plane waves:    1680
 k-point 61 :   0.4667 0.3333 0.0667  plane waves:    1682
 k-point 62 :   0.4000 0.4000 0.0667  plane waves:    1678
 k-point 63 :   0.4667 0.4000 0.0667  plane waves:    1683
 k-point 64 :   0.4667 0.4667 0.0667  plane waves:    1680
 k-point 65 :   0.1333 0.1333 0.1333  plane waves:    1698
 k-point 66 :   0.2000 0.1333 0.1333  plane waves:    1693
 k-point 67 :   0.2667 0.1333 0.1333  plane waves:    1697
 k-point 68 :   0.3333 0.1333 0.1333  plane waves:    1697
 k-point 69 :   0.4000 0.1333 0.1333  plane waves:    1693
 k-point 70 :   0.4667 0.1333 0.1333  plane waves:    1691
 k-point 71 :   0.2000 0.2000 0.1333  plane waves:    1700
 k-point 72 :   0.2667 0.2000 0.1333  plane waves:    1688
 k-point 73 :   0.3333 0.2000 0.1333  plane waves:    1691
 k-point 74 :   0.4000 0.2000 0.1333  plane waves:    1695
 k-point 75 :   0.4667 0.2000 0.1333  plane waves:    1691
 k-point 76 :   0.2667 0.2667 0.1333  plane waves:    1697
 k-point 77 :   0.3333 0.2667 0.1333  plane waves:    1691
 k-point 78 :   0.4000 0.2667 0.1333  plane waves:    1691
 k-point 79 :   0.4667 0.2667 0.1333  plane waves:    1692
 k-point 80 :   0.3333 0.3333 0.1333  plane waves:    1687
 k-point 81 :   0.4000 0.3333 0.1333  plane waves:    1689
 k-point 82 :   0.4667 0.3333 0.1333  plane waves:    1689
 k-point 83 :   0.4000 0.4000 0.1333  plane waves:    1683
 k-point 84 :   0.4667 0.4000 0.1333  plane waves:    1686
 k-point 85 :   0.4667 0.4667 0.1333  plane waves:    1684
 k-point 86 :   0.2000 0.2000 0.2000  plane waves:    1692
 k-point 87 :   0.2667 0.2000 0.2000  plane waves:    1698
 k-point 88 :   0.3333 0.2000 0.2000  plane waves:    1688
 k-point 89 :   0.4000 0.2000 0.2000  plane waves:    1701
 k-point 90 :   0.4667 0.2000 0.2000  plane waves:    1698
 k-point 91 :   0.2667 0.2667 0.2000  plane waves:    1686
 k-point 92 :   0.3333 0.2667 0.2000  plane waves:    1690
 k-point 93 :   0.4000 0.2667 0.2000  plane waves:    1692
 k-point 94 :   0.4667 0.2667 0.2000  plane waves:    1693
 k-point 95 :   0.3333 0.3333 0.2000  plane waves:    1683
 k-point 96 :   0.4000 0.3333 0.2000  plane waves:    1687
 k-point 97 :   0.4667 0.3333 0.2000  plane waves:    1694
 k-point 98 :   0.4000 0.4000 0.2000  plane waves:    1689
 k-point 99 :   0.4667 0.4000 0.2000  plane waves:    1695
 k-point ** :   0.4667 0.4667 0.2000  plane waves:    1691
 k-point ** :   0.2667 0.2667 0.2667  plane waves:    1695
 k-point ** :   0.3333 0.2667 0.2667  plane waves:    1686
 k-point ** :   0.4000 0.2667 0.2667  plane waves:    1692
 k-point ** :   0.4667 0.2667 0.2667  plane waves:    1692
 k-point ** :   0.3333 0.3333 0.2667  plane waves:    1693
 k-point ** :   0.4000 0.3333 0.2667  plane waves:    1689
 k-point ** :   0.4667 0.3333 0.2667  plane waves:    1692
 k-point ** :   0.4000 0.4000 0.2667  plane waves:    1691
 k-point ** :   0.4667 0.4000 0.2667  plane waves:    1694
 k-point ** :   0.4667 0.4667 0.2667  plane waves:    1691
 k-point ** :   0.3333 0.3333 0.3333  plane waves:    1703
 k-point ** :   0.4000 0.3333 0.3333  plane waves:    1694
 k-point ** :   0.4667 0.3333 0.3333  plane waves:    1698
 k-point ** :   0.4000 0.4000 0.3333  plane waves:    1693
 k-point ** :   0.4667 0.4000 0.3333  plane waves:    1689
 k-point ** :   0.4667 0.4667 0.3333  plane waves:    1688
 k-point ** :   0.4000 0.4000 0.4000  plane waves:    1691
 k-point ** :   0.4667 0.4000 0.4000  plane waves:    1683
 k-point ** :   0.4667 0.4667 0.4000  plane waves:    1682
 k-point ** :   0.4667 0.4667 0.4667  plane waves:    1682

 maximum and minimum number of plane-waves per node :      1743     1678

 maximum number of plane-waves:      1743
 maximum index in each direction: 
   IXMAX=    7   IYMAX=    7   IZMAX=    7
   IXMIN=   -7   IYMIN=   -7   IZMIN=   -7


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


 total amount of memory used by VASP MPI-rank0    52950. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      13742. kBytes
   fftplans  :        495. kBytes
   grid      :       1624. kBytes
   one-center:         24. kBytes
   wavefun   :       7065. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0001
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 15   NGY = 15   NGZ = 15
  (NGX  = 60   NGY  = 60   NGZ  = 60)
  gives a total of   3375 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      32.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          437 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.498
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0012: real time    0.0012


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


    POTLOK:  cpu time    0.0084: real time    0.0110
    SETDIJ:  cpu time    0.0012: real time    0.0013
     EDDAV:  cpu time    1.4502: real time    1.4585
 BZINTS: Fermi energy: 16.613940; 32.000000 electrons
         Band energy: 103.624322;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0234: real time    0.0234
    --------------------------------------------
      LOOP:  cpu time    1.4832: real time    1.4943

 eigenvalue-minimisations  :  9600
 total energy-change (2. order) : 0.3732592E+02  (-0.1953556E+04)
 number of electron      32.0000000 magnetization 
 augmentation part       32.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =       -69.66204992
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       109.85053118
  PAW double counting   =       868.17637104     -872.73161751
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =       103.62432198
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        37.32592239 eV

  energy without entropy =       37.32592239  energy(sigma->0) =       37.32592239


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




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


     EDDAV:  cpu time    2.0762: real time    2.0831
 BZINTS: Fermi energy:  8.711126; 32.000000 electrons
         Band energy:  -6.326655;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0189: real time    0.0190
    --------------------------------------------
      LOOP:  cpu time    2.0951: real time    2.1021

 eigenvalue-minimisations  : 13780
 total energy-change (2. order) :-0.1099510E+03  (-0.1037011E+03)
 number of electron      32.0000000 magnetization 
 augmentation part       32.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =       -69.66204992
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       109.85053118
  PAW double counting   =       868.17637104     -872.73161751
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -6.32665469
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.62505428 eV

  energy without entropy =      -72.62505428  energy(sigma->0) =      -72.62505428


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




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


     EDDAV:  cpu time    1.6068: real time    1.6120
 BZINTS: Fermi energy:  8.449022; 32.000000 electrons
         Band energy:  -9.078746;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0165: real time    0.0166
    --------------------------------------------
      LOOP:  cpu time    1.6233: real time    1.6285

 eigenvalue-minimisations  : 10520
 total energy-change (2. order) :-0.2752091E+01  (-0.2748434E+01)
 number of electron      32.0000000 magnetization 
 augmentation part       32.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =       -69.66204992
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       109.85053118
  PAW double counting   =       868.17637104     -872.73161751
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -9.07874603
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -75.37714562 eV

  energy without entropy =      -75.37714562  energy(sigma->0) =      -75.37714562


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




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


     EDDAV:  cpu time    2.0173: real time    2.0235
 BZINTS: Fermi energy:  8.418000; 32.000000 electrons
         Band energy:  -9.083812;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0166: real time    0.0166
    --------------------------------------------
      LOOP:  cpu time    2.0339: real time    2.0401

 eigenvalue-minimisations  : 13060
 total energy-change (2. order) :-0.5066199E-02  (-0.5066047E-02)
 number of electron      32.0000000 magnetization 
 augmentation part       32.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =       -69.66204992
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       109.85053118
  PAW double counting   =       868.17637104     -872.73161751
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -9.08381222
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -75.38221181 eV

  energy without entropy =      -75.38221181  energy(sigma->0) =      -75.38221181


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




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


     EDDAV:  cpu time    1.6339: real time    1.6387
 BZINTS: Fermi energy:  8.407447; 32.000000 electrons
         Band energy:  -9.083823;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0165: real time    0.0166
    CHARGE:  cpu time    0.0394: real time    0.0396
    MIXING:  cpu time    0.0006: real time    0.0006
    --------------------------------------------
      LOOP:  cpu time    1.6904: real time    1.6954

 eigenvalue-minimisations  : 10500
 total energy-change (2. order) :-0.1033215E-04  (-0.1033209E-04)
 number of electron      31.9999990 magnetization 
 augmentation part        0.8050132 magnetization 

 Broyden mixing:
  rms(total) = 0.11185E+01    rms(broyden)= 0.11184E+01
  rms(prec ) = 0.23549E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =       -69.66204992
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       109.85053118
  PAW double counting   =       868.17637104     -872.73161751
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -9.08382256
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -75.38222215 eV

  energy without entropy =      -75.38222215  energy(sigma->0) =      -75.38222215


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




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


    POTLOK:  cpu time    0.0052: real time    0.0053
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.6707: real time    1.6756
 BZINTS: Fermi energy:  9.211116; 32.000000 electrons
         Band energy:   7.351371;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0189: real time    0.0189
    CHARGE:  cpu time    0.0387: real time    0.0388
    MIXING:  cpu time    0.0005: real time    0.0005
    --------------------------------------------
      LOOP:  cpu time    1.7350: real time    1.7402

 eigenvalue-minimisations  : 10880
 total energy-change (2. order) : 0.1965307E+01  (-0.8981030E-01)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7860193 magnetization 

 Broyden mixing:
  rms(total) = 0.66711E+00    rms(broyden)= 0.66711E+00
  rms(prec ) = 0.12991E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3318
  2.3318

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =       -85.02893290
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       111.22585069
  PAW double counting   =      1515.48860409    -1520.52217423
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =         7.35137117
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -73.41691555 eV

  energy without entropy =      -73.41691555  energy(sigma->0) =      -73.41691555


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




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


    POTLOK:  cpu time    0.0052: real time    0.0053
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.8549: real time    1.8606
 BZINTS: Fermi energy:  9.922015; 32.000000 electrons
         Band energy:  26.563825;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0189: real time    0.0189
    CHARGE:  cpu time    0.0393: real time    0.0394
    MIXING:  cpu time    0.0004: real time    0.0006
    --------------------------------------------
      LOOP:  cpu time    1.9199: real time    1.9261

 eigenvalue-minimisations  : 12080
 total energy-change (2. order) : 0.6606985E+00  (-0.1153773E+00)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7640511 magnetization 

 Broyden mixing:
  rms(total) = 0.15193E+00    rms(broyden)= 0.15193E+00
  rms(prec ) = 0.18159E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3339
  2.0464  2.6214

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =      -104.94710077
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.05320171
  PAW double counting   =      2741.02093300    -2746.51544123
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.56382459
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.75621707 eV

  energy without entropy =      -72.75621707  energy(sigma->0) =      -72.75621707


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




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


    POTLOK:  cpu time    0.0052: real time    0.0053
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.5927: real time    1.5972
 BZINTS: Fermi energy:  9.924459; 32.000000 electrons
         Band energy:  26.547950;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0189: real time    0.0189
    CHARGE:  cpu time    0.0379: real time    0.0380
    MIXING:  cpu time    0.0004: real time    0.0007
    --------------------------------------------
      LOOP:  cpu time    1.6563: real time    1.6614

 eigenvalue-minimisations  : 10500
 total energy-change (2. order) :-0.7100471E-02  (-0.4018663E-02)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7642164 magnetization 

 Broyden mixing:
  rms(total) = 0.92216E-02    rms(broyden)= 0.92186E-02
  rms(prec ) = 0.14062E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0215
  1.4934  2.3968  2.1744

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =      -105.11324290
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.09195786
  PAW double counting   =      3106.16673777    -3111.52508588
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.54794998
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76331754 eV

  energy without entropy =      -72.76331754  energy(sigma->0) =      -72.76331754


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




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


    POTLOK:  cpu time    0.0049: real time    0.0051
    SETDIJ:  cpu time    0.0011: real time    0.0012
     EDDAV:  cpu time    2.0038: real time    2.0098
 BZINTS: Fermi energy:  9.922499; 32.000000 electrons
         Band energy:  26.448652;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0199: real time    0.0199
    CHARGE:  cpu time    0.0395: real time    0.0396
    MIXING:  cpu time    0.0003: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    2.0695: real time    2.0759

 eigenvalue-minimisations  : 12860
 total energy-change (2. order) :-0.1339812E-03  (-0.1754830E-04)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7644403 magnetization 

 Broyden mixing:
  rms(total) = 0.41237E-02    rms(broyden)= 0.41235E-02
  rms(prec ) = 0.74051E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0947
  0.9889  2.6564  2.6564  2.0770

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =      -105.01023459
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.08259978
  PAW double counting   =      3090.66142079    -3096.01425514
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.44865200
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76345152 eV

  energy without entropy =      -72.76345152  energy(sigma->0) =      -72.76345152


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




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


    POTLOK:  cpu time    0.0051: real time    0.0052
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.6329: real time    1.6375
 BZINTS: Fermi energy:  9.923927; 32.000000 electrons
         Band energy:  26.528160;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0195: real time    0.0196
    CHARGE:  cpu time    0.0391: real time    0.0392
    MIXING:  cpu time    0.0003: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.6981: real time    1.7029

 eigenvalue-minimisations  : 10340
 total energy-change (2. order) :-0.1096508E-03  (-0.8584798E-05)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7644319 magnetization 

 Broyden mixing:
  rms(total) = 0.77252E-03    rms(broyden)= 0.77248E-03
  rms(prec ) = 0.92854E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0406
  1.0013  2.9908  2.4118  1.8996  1.8996

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =      -105.09985813
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.09105943
  PAW double counting   =      3083.85141669    -3089.20270460
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.52815982
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76356118 eV

  energy without entropy =      -72.76356118  energy(sigma->0) =      -72.76356118


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




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


    POTLOK:  cpu time    0.0050: real time    0.0052
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    2.0875: real time    2.0942
 BZINTS: Fermi energy:  9.923773; 32.000000 electrons
         Band energy:  26.519739;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0190: real time    0.0190
    --------------------------------------------
      LOOP:  cpu time    2.1126: real time    2.1196

 eigenvalue-minimisations  : 13340
 total energy-change (2. order) : 0.5090101E-06  (-0.1369338E-06)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7644319 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.91895509
  Ewald energy   TEWEN  =     -1396.06297741
  -Hartree energ DENC   =      -105.09197887
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.09048503
  PAW double counting   =      3086.15105399    -3091.50122566
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.51973922
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76356067 eV

  energy without entropy =      -72.76356067  energy(sigma->0) =      -72.76356067


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




 average (electrostatic) potential at core
  the test charge radii are     0.6991
  (the norm of the test charge is              1.0000)
       1 -45.2584       2 -45.2584       3 -45.2584       4 -45.2584       5 -45.2584
       6 -45.2584       7 -45.2584       8 -45.2584
 
 
 
 E-fermi :   9.9238     XC(G=0): -13.2960     alpha+bet :-17.8309


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7392      2.00000
      2      -2.9700      2.00000
      3      -2.9700      2.00000
      4      -2.9700      2.00000
      5      -2.9700      2.00000
      6      -2.9700      2.00000
      7      -2.9700      2.00000
      8       3.5049      2.00000
      9       3.5049      2.00000
     10       3.5049      2.00000
     11       3.5049      2.00000
     12       3.5049      2.00000
     13       3.5049      2.00000
     14       9.8580      2.00000
     15       9.8580      2.00000
     16       9.8580      2.00000
     17      14.6370      0.00000
     18      14.6370      0.00000
     19      14.6370      0.00000
     20      14.6370      0.00000
     21      14.6370      0.00000
     22      14.6370      0.00000
     23      15.4741      0.00000
     24      15.4741      0.00000
     25      15.4741      0.00000
     26      23.3970      0.00000
     27      26.8003      0.00000
     28      26.8003      0.00000
     29      26.8003      0.00000
     30      26.8003      0.00000
     31      26.8003      0.00000
     32      26.8003      0.00000
     33      29.2707      0.00000
     34      33.2533      0.00000
     35      33.2533      0.00000
     36      33.2533      0.00000
     37      33.2533      0.00000
     38      33.2533      0.00000
     39      33.2533      0.00000
     40      36.4945      0.00000

 k-point     2 :       0.0667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6979      2.00000
      2      -4.0237      2.00000
      3      -2.9433      2.00000
      4      -2.9433      2.00000
      5      -2.9433      2.00000
      6      -2.9433      2.00000
      7      -1.8771      2.00000
      8       3.4126      2.00000
      9       3.4126      2.00000
     10       3.4126      2.00000
     11       3.4126      2.00000
     12       3.5452      2.00000
     13       3.5452      2.00000
     14       9.6846      2.00000
     15       9.6846      2.00000
     16       9.7566      2.00000
     17      14.3550      0.00000
     18      14.8079      0.00000
     19      14.8079      0.00000
     20      14.8079      0.00000
     21      14.8079      0.00000
     22      15.0154      0.00000
     23      15.4410      0.00000
     24      15.6832      0.00000
     25      15.6832      0.00000
     26      23.4284      0.00000
     27      26.6629      0.00000
     28      26.6629      0.00000
     29      26.7203      0.00000
     30      26.7203      0.00000
     31      26.7203      0.00000
     32      26.7203      0.00000
     33      29.3441      0.00000
     34      32.9846      0.00000
     35      33.1471      0.00000
     36      33.1471      0.00000
     37      33.1471      0.00000
     38      33.1471      0.00000
     39      33.4438      0.00000
     40      34.9869      0.00000

 k-point     3 :       0.1333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.5742      2.00000
      2      -5.0297      2.00000
      3      -2.8651      2.00000
      4      -2.8651      2.00000
      5      -2.8651      2.00000
      6      -2.8651      2.00000
      7      -0.7553      2.00000
      8       3.1564      2.00000
      9       3.1564      2.00000
     10       3.1564      2.00000
     11       3.1565      2.00000
     12       3.6660      2.00000
     13       3.6660      2.00000
     14       9.2305      2.00000
     15       9.2305      2.00000
     16       9.4598      2.00000
     17      14.1613      0.00000
     18      15.2994      0.00000
     19      15.2994      0.00000
     20      15.2994      0.00000
     21      15.2994      0.00000
     22      15.3456      0.00000
     23      15.4982      0.00000
     24      16.2439      0.00000
     25      16.2439      0.00000
     26      23.4907      0.00000
     27      26.2683      0.00000
     28      26.2683      0.00000
     29      26.4701      0.00000
     30      26.4701      0.00000
     31      26.4701      0.00000
     32      26.4701      0.00000
     33      29.5584      0.00000
     34      32.6492      0.00000
     35      32.8554      0.00000
     36      32.8554      0.00000
     37      32.8554      0.00000
     38      32.8554      0.00000
     39      33.1680      0.00000
     40      33.5436      0.00000

 k-point     4 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.3683      2.00000
      2      -5.9803      2.00000
      3      -2.7418      2.00000
      4      -2.7418      2.00000
      5      -2.7418      2.00000
      6      -2.7418      2.00000
      7       0.3827      2.00000
      8       2.7892      2.00000
      9       2.7892      2.00000
     10       2.7892      2.00000
     11       2.7892      2.00000
     12       3.8667      2.00000
     13       3.8667      2.00000
     14       8.6190      2.00000
     15       8.6190      2.00000
     16       8.9873      2.00000
     17      14.0483      0.00000
     18      15.1987      0.00000
     19      16.0587      0.00000
     20      16.0587      0.00000
     21      16.0587      0.00000
     22      16.0587      0.00000
     23      16.0922      0.00000
     24      17.0317      0.00000
     25      17.0317      0.00000
     26      23.4870      0.00000
     27      25.6602      0.00000
     28      25.6602      0.00000
     29      26.0240      0.00000
     30      26.0240      0.00000
     31      26.0240      0.00000
     32      26.0240      0.00000
     33      29.8971      0.00000
     34      31.5892      0.00000
     35      32.2568      0.00000
     36      32.4522      0.00000
     37      32.4522      0.00000
     38      32.4522      0.00000
     39      32.4522      0.00000
     40      33.5406      0.00000

 k-point     5 :       0.2667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0804      2.00000
      2      -6.8701      2.00000
      3      -2.5855      2.00000
      4      -2.5855      2.00000
      5      -2.5855      2.00000
      6      -2.5855      2.00000
      7       1.5242      2.00000
      8       2.3749      2.00000
      9       2.3749      2.00000
     10       2.3749      2.00000
     11       2.3749      2.00000
     12       4.1454      2.00000
     13       4.1454      2.00000
     14       7.9441      2.00000
     15       7.9441      2.00000
     16       8.3650      2.00000
     17      14.0082      0.00000
     18      15.0153      0.00000
     19      16.8035      0.00000
     20      17.0217      0.00000
     21      17.0217      0.00000
     22      17.0217      0.00000
     23      17.0217      0.00000
     24      17.9504      0.00000
     25      17.9504      0.00000
     26      23.2630      0.00000
     27      24.8909      0.00000
     28      24.8909      0.00000
     29      25.3595      0.00000
     30      25.3595      0.00000
     31      25.3595      0.00000
     32      25.3595      0.00000
     33      30.3353      0.00000
     34      30.4354      0.00000
     35      31.8172      0.00000
     36      32.0357      0.00000
     37      32.0357      0.00000
     38      32.0357      0.00000
     39      32.0357      0.00000
     40      33.4254      0.00000

 k-point     6 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.7115      2.00000
      2      -7.6939      2.00000
      3      -2.4167      2.00000
      4      -2.4167      2.00000
      5      -2.4167      2.00000
      6      -2.4167      2.00000
      7       1.9778      2.00000
      8       1.9778      2.00000
      9       1.9778      2.00000
     10       1.9778      2.00000
     11       2.6545      2.00000
     12       4.5003      2.00000
     13       4.5003      2.00000
     14       7.2612      2.00000
     15       7.2612      2.00000
     16       7.6170      2.00000
     17      14.0333      0.00000
     18      14.8121      0.00000
     19      17.6344      0.00000
     20      18.1226      0.00000
     21      18.1226      0.00000
     22      18.1226      0.00000
     23      18.1226      0.00000
     24      18.9414      0.00000
     25      18.9414      0.00000
     26      22.6882      0.00000
     27      24.0078      0.00000
     28      24.0078      0.00000
     29      24.4843      0.00000
     30      24.4843      0.00000
     31      24.4843      0.00000
     32      24.4843      0.00000
     33      29.8308      0.00000
     34      30.8419      0.00000
     35      31.3422      0.00000
     36      31.6884      0.00000
     37      31.6884      0.00000
     38      31.6884      0.00000
     39      31.6884      0.00000
     40      33.1952      0.00000

 k-point     7 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.2625      2.00000
      2      -8.4479      2.00000
      3      -2.2669      2.00000
      4      -2.2669      2.00000
      5      -2.2669      2.00000
      6      -2.2669      2.00000
      7       1.6602      2.00000
      8       1.6602      2.00000
      9       1.6602      2.00000
     10       1.6602      2.00000
     11       3.7584      2.00000
     12       4.9284      2.00000
     13       4.9284      2.00000
     14       6.6022      2.00000
     15       6.6022      2.00000
     16       6.7657      2.00000
     17      14.1153      0.00000
     18      14.6063      0.00000
     19      18.5802      0.00000
     20      19.2836      0.00000
     21      19.2836      0.00000
     22      19.2836      0.00000
     23      19.2836      0.00000
     24      19.9690      0.00000
     25      19.9690      0.00000
     26      21.7898      0.00000
     27      23.0486      0.00000
     28      23.0486      0.00000
     29      23.4616      0.00000
     30      23.4616      0.00000
     31      23.4616      0.00000
     32      23.4616      0.00000
     33      29.7318      0.00000
     34      30.8499      0.00000
     35      31.3824      0.00000
     36      31.4521      0.00000
     37      31.4521      0.00000
     38      31.4521      0.00000
     39      31.4521      0.00000
     40      32.8556      0.00000

 k-point     8 :       0.4667    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.7345      2.00000
      2      -9.1289      2.00000
      3      -2.1760      2.00000
      4      -2.1760      2.00000
      5      -2.1760      2.00000
      6      -2.1760      2.00000
      7       1.4812      2.00000
      8       1.4812      2.00000
      9       1.4812      2.00000
     10       1.4812      2.00000
     11       4.8213      2.00000
     12       5.4257      2.00000
     13       5.4257      2.00000
     14       5.8286      2.00000
     15       5.9863      2.00000
     16       5.9863      2.00000
     17      14.2451      0.00000
     18      14.4127      0.00000
     19      19.6229      0.00000
     20      20.3114      0.00000
     21      20.3114      0.00000
     22      20.3114      0.00000
     23      20.3114      0.00000
     24      20.7208      0.00000
     25      21.0088      0.00000
     26      21.0088      0.00000
     27      22.0416      0.00000
     28      22.0416      0.00000
     29      22.4964      0.00000
     30      22.4964      0.00000
     31      22.4964      0.00000
     32      22.4964      0.00000
     33      29.9657      0.00000
     34      30.3721      0.00000
     35      31.3354      0.00000
     36      31.3354      0.00000
     37      31.3354      0.00000
     38      31.3354      0.00000
     39      31.9210      0.00000
     40      32.4226      0.00000

 k-point     9 :       0.0667    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.6566      2.00000
      2      -3.9928      2.00000
      3      -3.9928      2.00000
      4      -2.9388      2.00000
      5      -2.8959      2.00000
      6      -1.8567      2.00000
      7      -1.8567      2.00000
      8       3.0863      2.00000
      9       3.4462      2.00000
     10       3.4462      2.00000
     11       3.4619      2.00000
     12       3.4619      2.00000
     13       3.5744      2.00000
     14       9.3838      2.00000
     15       9.5156      2.00000
     16       9.8073      2.00000
     17      14.5292      0.00000
     18      14.5292      0.00000
     19      14.7042      0.00000
     20      15.1821      0.00000
     21      15.1821      0.00000
     22      15.2346      0.00000
     23      15.5581      0.00000
     24      15.7392      0.00000
     25      15.8643      0.00000
     26      23.4622      0.00000
     27      26.5454      0.00000
     28      26.5454      0.00000
     29      26.5941      0.00000
     30      26.6175      0.00000
     31      26.6175      0.00000
     32      26.6956      0.00000
     33      29.4146      0.00000
     34      32.7399      0.00000
     35      32.9222      0.00000
     36      32.9222      0.00000
     37      33.3064      0.00000
     38      33.3064      0.00000
     39      33.3630      0.00000
     40      34.7144      0.00000

 k-point    10 :       0.1333    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.5329      2.00000
      2      -4.9958      2.00000
      3      -3.9012      2.00000
      4      -2.8883      2.00000
      5      -2.7954      2.00000
      6      -1.7988      2.00000
      7      -0.7448      2.00000
      8       2.6470      2.00000
      9       3.1707      2.00000
     10       3.2321      2.00000
     11       3.5513      2.00000
     12       3.5616      2.00000
     13       3.5951      2.00000
     14       8.8602      2.00000
     15       9.0709      2.00000
     16       9.6329      2.00000
     17      14.3383      0.00000
     18      14.9406      0.00000
     19      15.0295      0.00000
     20      15.5119      0.00000
     21      15.6599      0.00000
     22      15.6624      0.00000
     23      15.9355      0.00000
     24      16.2452      0.00000
     25      16.3628      0.00000
     26      23.5319      0.00000
     27      26.1186      0.00000
     28      26.1895      0.00000
     29      26.2484      0.00000
     30      26.3066      0.00000
     31      26.4711      0.00000
     32      26.5082      0.00000
     33      29.6204      0.00000
     34      32.2056      0.00000
     35      32.6313      0.00000
     36      32.7558      0.00000
     37      32.9176      0.00000
     38      33.1831      0.00000
     39      33.3588      0.00000
     40      33.3944      0.00000

 k-point    11 :       0.2000    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.3271      2.00000
      2      -5.9446      2.00000
      3      -3.7530      2.00000
      4      -2.8035      2.00000
      5      -2.6442      2.00000
      6      -1.7134      2.00000
      7       0.3775      2.00000
      8       2.1592      2.00000
      9       2.7726      2.00000
     10       2.9087      2.00000
     11       3.3656      2.00000
     12       3.7576      2.00000
     13       3.8138      2.00000
     14       8.2203      2.00000
     15       8.4688      2.00000
     16       9.2396      2.00000
     17      14.2273      0.00000
     18      15.3718      0.00000
     19      15.4922      0.00000
     20      15.8008      0.00000
     21      16.2480      0.00000
     22      16.4059      0.00000
     23      16.8500      0.00000
     24      17.0229      0.00000
     25      17.0855      0.00000
     26      23.5402      0.00000
     27      25.4892      0.00000
     28      25.5927      0.00000
     29      25.6556      0.00000
     30      25.8304      0.00000
     31      26.1300      0.00000
     32      26.1940      0.00000
     33      29.9458      0.00000
     34      31.6342      0.00000
     35      31.6403      0.00000
     36      32.2753      0.00000
     37      32.3492      0.00000
     38      32.5374      0.00000
     39      33.1585      0.00000
     40      33.3971      0.00000

 k-point    12 :       0.2667    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.0394      2.00000
      2      -6.8328      2.00000
      3      -3.5559      2.00000
      4      -2.7050      2.00000
      5      -2.4492      2.00000
      6      -1.6194      2.00000
      7       1.4931      2.00000
      8       1.6883      2.00000
      9       2.3143      2.00000
     10       2.5588      2.00000
     11       3.0700      2.00000
     12       4.0324      2.00000
     13       4.1208      2.00000
     14       7.5250      2.00000
     15       7.8015      2.00000
     16       8.6751      2.00000
     17      14.1887      0.00000
     18      15.1916      0.00000
     19      16.3022      0.00000
     20      16.7780      0.00000
     21      16.9527      0.00000
     22      17.3480      0.00000
     23      17.9192      0.00000
     24      17.9384      0.00000
     25      17.9482      0.00000
     26      23.3322      0.00000
     27      24.7114      0.00000
     28      24.7721      0.00000
     29      24.8935      0.00000
     30      25.1398      0.00000
     31      25.5330      0.00000
     32      25.7401      0.00000
     33      30.3668      0.00000
     34      30.4951      0.00000
     35      31.1204      0.00000
     36      31.7170      0.00000
     37      31.8607      0.00000
     38      32.3252      0.00000
     39      32.8450      0.00000
     40      33.2992      0.00000

 k-point    13 :       0.3333    0.0667    0.0000
  band No.  band energies     occupation 
      1     -10.6708      2.00000
      2      -7.6556      2.00000
      3      -3.3230      2.00000
      4      -2.6247      2.00000
      5      -2.2228      2.00000
      6      -1.5468      2.00000
      7       1.2997      2.00000
      8       1.8548      2.00000
      9       2.2538      2.00000
     10       2.5783      2.00000
     11       2.7277      2.00000
     12       4.3836      2.00000
     13       4.5223      2.00000
     14       6.8100      2.00000
     15       7.1246      2.00000
     16       7.9843      2.00000
     17      14.2148      0.00000
     18      14.9907      0.00000
     19      17.3017      0.00000
     20      17.7761      0.00000
     21      17.8989      0.00000
     22      18.4160      0.00000
     23      18.8931      0.00000
     24      18.9300      0.00000
     25      19.0835      0.00000
     26      22.7747      0.00000
     27      23.7803      0.00000
     28      23.8313      0.00000
     29      24.0122      0.00000
     30      24.2434      0.00000
     31      24.7156      0.00000
     32      25.0684      0.00000
     33      29.8924      0.00000
     34      30.7323      0.00000
     35      30.8536      0.00000
     36      31.1476      0.00000
     37      31.4005      0.00000
     38      32.1611      0.00000
     39      32.5248      0.00000
     40      33.0915      0.00000

 k-point    14 :       0.4000    0.0667    0.0000
  band No.  band energies     occupation 
      1     -10.2219      2.00000
      2      -8.4086      2.00000
      3      -3.0758      2.00000
      4      -2.6047      2.00000
      5      -1.9854      2.00000
      6      -1.5330      2.00000
      7       1.0562      2.00000
      8       1.4478      2.00000
      9       2.0599      2.00000
     10       2.4007      2.00000
     11       3.6018      2.00000
     12       4.8083      2.00000
     13       5.0315      2.00000
     14       6.0874      2.00000
     15       6.4706      2.00000
     16       7.2120      2.00000
     17      14.2972      0.00000
     18      14.7864      0.00000
     19      18.4138      0.00000
     20      18.7135      0.00000
     21      19.1016      0.00000
     22      19.4941      0.00000
     23      19.8824      0.00000
     24      19.9604      0.00000
     25      20.2541      0.00000
     26      21.8913      0.00000
     27      22.7361      0.00000
     28      22.8845      0.00000
     29      23.0514      0.00000
     30      23.2219      0.00000
     31      23.7247      0.00000
     32      24.1807      0.00000
     33      29.7951      0.00000
     34      30.4962      0.00000
     35      30.7288      0.00000
     36      30.9152      0.00000
     37      31.3727      0.00000
     38      32.0655      0.00000
     39      32.2721      0.00000
     40      32.7761      0.00000

 k-point    15 :       0.4667    0.0667    0.0000
  band No.  band energies     occupation 
      1      -9.6941      2.00000
      2      -9.0891      2.00000
      3      -2.8469      2.00000
      4      -2.6787      2.00000
      5      -1.7674      2.00000
      6      -1.6067      2.00000
      7       1.0037      2.00000
      8       1.1466      2.00000
      9       2.0230      2.00000
     10       2.1480      2.00000
     11       4.5268      2.00000
     12       5.3021      2.00000
     13       5.3418      2.00000
     14       5.6653      2.00000
     15       5.8590      2.00000
     16       6.4138      2.00000
     17      14.4270      0.00000
     18      14.5940      0.00000
     19      19.5170      0.00000
     20      19.7470      0.00000
     21      20.1389      0.00000
     22      20.2928      0.00000
     23      20.8323      0.00000
     24      20.8928      0.00000
     25      21.0041      0.00000
     26      21.0143      0.00000
     27      21.8973      0.00000
     28      22.0411      0.00000
     29      22.0931      0.00000
     30      22.5041      0.00000
     31      22.6876      0.00000
     32      23.1659      0.00000
     33      30.0313      0.00000
     34      30.4140      0.00000
     35      30.4391      0.00000
     36      30.4875      0.00000
     37      31.8888      0.00000
     38      32.0472      0.00000
     39      32.1133      0.00000
     40      32.3670      0.00000

 k-point    16 :       0.1333    0.1333    0.0000
  band No.  band energies     occupation 
      1     -11.4094      2.00000
      2      -4.8951      2.00000
      3      -4.8951      2.00000
      4      -2.8764      2.00000
      5      -2.6741      2.00000
      6      -0.7184      2.00000
      7      -0.7184      2.00000
      8       2.0866      2.00000
      9       3.2712      2.00000
     10       3.2712      2.00000
     11       3.4027      2.00000
     12       3.4027      2.00000
     13       3.7801      2.00000
     14       8.2678      2.00000
     15       8.6469      2.00000
     16       9.6509      2.00000
     17      14.8453      0.00000
     18      14.8453      0.00000
     19      14.9043      0.00000
     20      15.8092      0.00000
     21      16.1265      0.00000
     22      16.1265      0.00000
     23      16.3985      0.00000
     24      16.7110      0.00000
     25      16.7921      0.00000
     26      23.6236      0.00000
     27      25.6780      0.00000
     28      25.6780      0.00000
     29      26.0081      0.00000
     30      26.1825      0.00000
     31      26.1825      0.00000
     32      26.4063      0.00000
     33      29.8015      0.00000
     34      31.4763      0.00000
     35      32.5857      0.00000
     36      32.5857      0.00000
     37      32.8956      0.00000
     38      32.9610      0.00000
     39      32.9610      0.00000
     40      33.6608      0.00000

 k-point    17 :       0.2000    0.1333    0.0000
  band No.  band energies     occupation 
      1     -11.2038      2.00000
      2      -5.8375      2.00000
      3      -4.7302      2.00000
      4      -2.8493      2.00000
      5      -2.5003      2.00000
      6      -0.6915      2.00000
      7       0.3548      2.00000
      8       1.5415      2.00000
      9       2.8501      2.00000
     10       3.1430      2.00000
     11       3.4549      2.00000
     12       3.6765      2.00000
     13       3.8245      2.00000
     14       7.5947      2.00000
     15       8.0658      2.00000
     16       9.4238      2.00000
     17      14.7391      0.00000
     18      15.2034      0.00000
     19      15.6248      0.00000
     20      15.8101      0.00000
     21      16.6984      0.00000
     22      16.8495      0.00000
     23      17.0318      0.00000
     24      17.2593      0.00000
     25      17.8148      0.00000
     26      23.6685      0.00000
     27      24.9759      0.00000
     28      24.9975      0.00000
     29      25.5422      0.00000
     30      25.6393      0.00000
     31      26.0508      0.00000
     32      26.1310      0.00000
     33      30.0882      0.00000
     34      30.7546      0.00000
     35      31.7273      0.00000
     36      32.2934      0.00000
     37      32.3247      0.00000
     38      32.5308      0.00000
     39      32.9728      0.00000
     40      33.7161      0.00000

 k-point    18 :       0.2667    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.9165      2.00000
      2      -6.7212      2.00000
      3      -4.5061      2.00000
      4      -2.8397      2.00000
      5      -2.2771      2.00000
      6      -0.6912      2.00000
      7       1.0787      2.00000
      8       1.3918      2.00000
      9       2.3611      2.00000
     10       2.8875      2.00000
     11       3.7074      2.00000
     12       3.7193      2.00000
     13       4.0667      2.00000
     14       6.8864      2.00000
     15       7.4159      2.00000
     16       8.9802      2.00000
     17      14.7036      0.00000
     18      15.6665      0.00000
     19      15.8087      0.00000
     20      16.6104      0.00000
     21      17.3840      0.00000
     22      17.7629      0.00000
     23      17.9159      0.00000
     24      17.9623      0.00000
     25      18.9526      0.00000
     26      23.5110      0.00000
     27      24.0660      0.00000
     28      24.2026      0.00000
     29      24.8712      0.00000
     30      24.9008      0.00000
     31      25.6431      0.00000
     32      25.8143      0.00000
     33      30.1358      0.00000
     34      30.4593      0.00000
     35      30.6417      0.00000
     36      31.4875      0.00000
     37      31.9741      0.00000
     38      32.4862      0.00000
     39      32.9218      0.00000
     40      33.5332      0.00000

 k-point    19 :       0.3333    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.5484      2.00000
      2      -7.5407      2.00000
      3      -4.2312      2.00000
      4      -2.8909      2.00000
      5      -2.0117      2.00000
      6      -0.7518      2.00000
      7       0.7646      2.00000
      8       1.8599      2.00000
      9       2.3588      2.00000
     10       2.7085      2.00000
     11       3.4807      2.00000
     12       4.0611      2.00000
     13       4.5892      2.00000
     14       6.1689      2.00000
     15       6.7533      2.00000
     16       8.3686      2.00000
     17      14.7309      0.00000
     18      15.4826      0.00000
     19      16.6595      0.00000
     20      17.7412      0.00000
     21      18.1854      0.00000
     22      18.7718      0.00000
     23      18.7787      0.00000
     24      18.9023      0.00000
     25      20.1495      0.00000
     26      23.0100      0.00000
     27      23.0375      0.00000
     28      23.3352      0.00000
     29      23.9925      0.00000
     30      24.0256      0.00000
     31      24.9238      0.00000
     32      25.4117      0.00000
     33      29.6907      0.00000
     34      30.0483      0.00000
     35      30.6799      0.00000
     36      30.8883      0.00000
     37      31.5509      0.00000
     38      32.4670      0.00000
     39      32.7802      0.00000
     40      33.2216      0.00000

 k-point    20 :       0.4000    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.1004      2.00000
      2      -8.2913      2.00000
      3      -3.9190      2.00000
      4      -3.0388      2.00000
      5      -1.7168      2.00000
      6      -0.8982      2.00000
      7       0.6494      2.00000
      8       1.3934      2.00000
      9       2.6570      2.00000
     10       3.2063      2.00000
     11       3.2300      2.00000
     12       4.4767      2.00000
     13       5.2495      2.00000
     14       5.4547      2.00000
     15       6.1109      2.00000
     16       7.6376      2.00000
     17      14.8128      0.00000
     18      15.2885      0.00000
     19      17.6797      0.00000
     20      18.9621      0.00000
     21      19.0978      0.00000
     22      19.6483      0.00000
     23      19.6885      0.00000
     24      19.9380      0.00000
     25      21.2813      0.00000
     26      22.1066      0.00000
     27      22.1765      0.00000
     28      22.4255      0.00000
     29      23.0165      0.00000
     30      23.0605      0.00000
     31      24.0008      0.00000
     32      24.7786      0.00000
     33      29.4462      0.00000
     34      29.9543      0.00000
     35      30.0161      0.00000
     36      31.0822      0.00000
     37      31.3441      0.00000
     38      32.4855      0.00000
     39      32.5375      0.00000
     40      32.9190      0.00000

 k-point    21 :       0.4667    0.1333    0.0000
  band No.  band energies     occupation 
      1      -9.5737      2.00000
      2      -8.9699      2.00000
      3      -3.5921      2.00000
      4      -3.2842      2.00000
      5      -1.4125      2.00000
      6      -1.1279      2.00000
      7       0.7408      2.00000
      8       1.0050      2.00000
      9       2.7441      2.00000
     10       2.9427      2.00000
     11       4.0123      2.00000
     12       4.7419      2.00000
     13       4.9616      2.00000
     14       5.5092      2.00000
     15       6.0190      2.00000
     16       6.8364      2.00000
     17      14.9403      0.00000
     18      15.1029      0.00000
     19      18.7726      0.00000
     20      19.7099      0.00000
     21      20.1027      0.00000
     22      20.2128      0.00000
     23      20.5613      0.00000
     24      20.9920      0.00000
     25      21.1613      0.00000
     26      21.3506      0.00000
     27      21.4964      0.00000
     28      22.0405      0.00000
     29      22.0607      0.00000
     30      22.9441      0.00000
     31      22.9649      0.00000
     32      23.9070      0.00000
     33      29.4068      0.00000
     34      29.5881      0.00000
     35      30.1966      0.00000
     36      30.6090      0.00000
     37      31.7930      0.00000
     38      32.2010      0.00000
     39      32.5555      0.00000
     40      32.6945      0.00000

 k-point    22 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.9986      2.00000
      2      -5.6611      2.00000
      3      -5.6611      2.00000
      4      -2.9115      2.00000
      5      -2.3053      2.00000
      6       0.2927      2.00000
      7       0.2927      2.00000
      8       1.0043      2.00000
      9       3.0160      2.00000
     10       3.0160      2.00000
     11       3.5101      2.00000
     12       3.5101      2.00000
     13       4.1162      2.00000
     14       6.9086      2.00000
     15       7.5068      2.00000
     16       9.3794      2.00000
     17      15.2334      0.00000
     18      15.5236      0.00000
     19      15.5236      0.00000
     20      16.2248      0.00000
     21      17.2569      0.00000
     22      17.3961      0.00000
     23      17.3961      0.00000
     24      17.5757      0.00000
     25      18.9074      0.00000
     26      23.7775      0.00000
     27      24.2413      0.00000
     28      24.2413      0.00000
     29      25.1252      0.00000
     30      25.6028      0.00000
     31      25.6028      0.00000
     32      25.9886      0.00000
     33      29.8914      0.00000
     34      30.3139      0.00000
     35      31.4823      0.00000
     36      32.2929      0.00000
     37      32.2929      0.00000
     38      32.3923      0.00000
     39      32.3923      0.00000
     40      33.4000      0.00000

 k-point    23 :       0.2667    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.7121      2.00000
      2      -6.5367      2.00000
      3      -5.4186      2.00000
      4      -3.0342      2.00000
      5      -2.0590      2.00000
      6       0.1630      2.00000
      7       0.6166      2.00000
      8       1.2039      2.00000
      9       2.5046      2.00000
     10       3.2659      2.00000
     11       3.3826      2.00000
     12       4.0282      2.00000
     13       4.2240      2.00000
     14       6.2005      2.00000
     15       6.8760      2.00000
     16       9.0962      2.00000
     17      15.4896      0.00000
     18      15.5905      0.00000
     19      16.2940      0.00000
     20      16.5123      0.00000
     21      17.9445      0.00000
     22      18.0402      0.00000
     23      18.0506      0.00000
     24      18.2707      0.00000
     25      20.0834      0.00000
     26      23.3033      0.00000
     27      23.4390      0.00000
     28      23.7142      0.00000
     29      24.5261      0.00000
     30      24.9107      0.00000
     31      25.5274      0.00000
     32      25.6516      0.00000
     33      29.1476      0.00000
     34      30.6064      0.00000
     35      30.7334      0.00000
     36      31.4145      0.00000
     37      32.1205      0.00000
     38      32.3015      0.00000
     39      32.4684      0.00000
     40      33.5505      0.00000

 k-point    24 :       0.3333    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.3450      2.00000
      2      -7.3502      2.00000
      3      -5.1158      2.00000
      4      -3.2553      2.00000
      5      -1.7650      2.00000
      6      -0.0536      2.00000
      7       0.4318      2.00000
      8       1.9746      2.00000
      9       2.0209      2.00000
     10       3.3472      2.00000
     11       3.5952      2.00000
     12       4.1709      2.00000
     13       4.6987      2.00000
     14       5.4922      2.00000
     15       6.2289      2.00000
     16       8.6026      2.00000
     17      15.5153      0.00000
     18      16.1827      0.00000
     19      16.2409      0.00000
     20      17.6443      0.00000
     21      18.6340      0.00000
     22      18.8140      0.00000
     23      18.8835      0.00000
     24      19.2004      0.00000
     25      21.2846      0.00000
     26      22.3171      0.00000
     27      22.6045      0.00000
     28      23.3257      0.00000
     29      23.7149      0.00000
     30      24.0488      0.00000
     31      25.0781      0.00000
     32      25.3752      0.00000
     33      28.6200      0.00000
     34      30.1992      0.00000
     35      30.4359      0.00000
     36      30.9431      0.00000
     37      31.7387      0.00000
     38      32.2621      0.00000
     39      32.5518      0.00000
     40      33.7660      0.00000

 k-point    25 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.8983      2.00000
      2      -8.0966      2.00000
      3      -4.7612      2.00000
      4      -3.5766      2.00000
      5      -1.4309      2.00000
      6      -0.3508      2.00000
      7       0.4614      2.00000
      8       1.4688      2.00000
      9       2.7549      2.00000
     10       3.4197      2.00000
     11       3.9995      2.00000
     12       4.0077      2.00000
     13       4.7962      2.00000
     14       5.4878      2.00000
     15       5.5999      2.00000
     16       7.9445      2.00000
     17      15.5921      0.00000
     18      16.0235      0.00000
     19      17.1190      0.00000
     20      18.8670      0.00000
     21      19.3253      0.00000
     22      19.6773      0.00000
     23      19.7505      0.00000
     24      19.9146      0.00000
     25      21.7258      0.00000
     26      21.7658      0.00000
     27      22.2210      0.00000
     28      22.5961      0.00000
     29      22.9365      0.00000
     30      23.0782      0.00000
     31      24.2688      0.00000
     32      25.0746      0.00000
     33      28.3612      0.00000
     34      29.5000      0.00000
     35      30.1181      0.00000
     36      31.2830      0.00000
     37      31.2963      0.00000
     38      32.1389      0.00000
     39      32.6528      0.00000
     40      33.3413      0.00000

 k-point    26 :       0.4667    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.3734      2.00000
      2      -8.7720      2.00000
      3      -4.3693      2.00000
      4      -3.9628      2.00000
      5      -1.0698      2.00000
      6      -0.7005      2.00000
      7       0.6737      2.00000
      8       1.0233      2.00000
      9       3.4415      2.00000
     10       3.5812      2.00000
     11       3.7929      2.00000
     12       4.1150      2.00000
     13       4.4734      2.00000
     14       5.0101      2.00000
     15       6.3334      2.00000
     16       7.1710      2.00000
     17      15.7105      0.00000
     18      15.8591      0.00000
     19      18.1391      0.00000
     20      19.1675      0.00000
     21      20.0777      0.00000
     22      20.1293      0.00000
     23      20.5504      0.00000
     24      20.9794      0.00000
     25      21.0120      0.00000
     26      21.3655      0.00000
     27      21.6690      0.00000
     28      22.0438      0.00000
     29      22.2826      0.00000
     30      23.2880      0.00000
     31      23.6923      0.00000
     32      24.5262      0.00000
     33      28.4009      0.00000
     34      28.7811      0.00000
     35      30.3753      0.00000
     36      30.8034      0.00000
     37      31.6344      0.00000
     38      31.9246      0.00000
     39      32.7942      0.00000
     40      33.0117      0.00000

 k-point    27 :       0.2667    0.2667    0.0000
  band No.  band energies     occupation 
      1     -10.4266      2.00000
      2      -6.2815      2.00000
      3      -6.2815      2.00000
      4      -3.3276      2.00000
      5      -1.7910      2.00000
      6       0.3584      2.00000
      7       0.9220      2.00000
      8       0.9220      2.00000
      9       2.7371      2.00000
     10       2.7371      2.00000
     11       4.0465      2.00000
     12       4.0465      2.00000
     13       4.5721      2.00000
     14       5.5011      2.00000
     15       6.2619      2.00000
     16       8.9852      2.00000
     17      15.6833      0.00000
     18      16.4764      0.00000
     19      16.4764      0.00000
     20      16.8000      0.00000
     21      18.2244      0.00000
     22      18.2273      0.00000
     23      18.8715      0.00000
     24      18.8715      0.00000
     25      21.2684      0.00000
     26      22.5282      0.00000
     27      22.5282      0.00000
     28      23.8016      0.00000
     29      24.0466      0.00000
     30      24.9188      0.00000
     31      24.9188      0.00000
     32      25.5008      0.00000
     33      28.2614      0.00000
     34      30.5159      0.00000
     35      30.7961      0.00000
     36      31.4638      0.00000
     37      31.4638      0.00000
     38      32.2680      0.00000
     39      32.2680      0.00000
     40      33.1125      0.00000

 k-point    28 :       0.3333    0.2667    0.0000
  band No.  band energies     occupation 
      1     -10.0611      2.00000
      2      -7.0860      2.00000
      3      -5.9595      2.00000
      4      -3.7232      2.00000
      5      -1.4734      2.00000
      6       0.3190      2.00000
      7       0.5603      2.00000
      8       1.5987      2.00000
      9       2.1864      2.00000
     10       3.0523      2.00000
     11       4.1363      2.00000
     12       4.7365      2.00000
     13       4.8075      2.00000
     14       4.8441      2.00000
     15       5.6290      2.00000
     16       8.6450      2.00000
     17      16.0905      0.00000
     18      16.4948      0.00000
     19      16.9445      0.00000
     20      17.6017      0.00000
     21      18.5437      0.00000
     22      18.9465      0.00000
     23      19.5506      0.00000
     24      19.6341      0.00000
     25      21.6997      0.00000
     26      21.7836      0.00000
     27      22.4365      0.00000
     28      23.3684      0.00000
     29      23.6091      0.00000
     30      24.0834      0.00000
     31      24.9149      0.00000
     32      25.1258      0.00000
     33      27.6181      0.00000
     34      30.1813      0.00000
     35      30.4602      0.00000
     36      31.0104      0.00000
     37      31.5442      0.00000
     38      31.9119      0.00000
     39      32.4028      0.00000
     40      33.4298      0.00000

 k-point    29 :       0.4000    0.2667    0.0000
  band No.  band energies     occupation 
      1      -9.6164      2.00000
      2      -7.8258      2.00000
      3      -5.5766      2.00000
      4      -4.1860      2.00000
      5      -1.1103      2.00000
      6       0.1478      2.00000
      7       0.4693      2.00000
      8       1.6538      2.00000
      9       2.2290      2.00000
     10       3.4445      2.00000
     11       4.1317      2.00000
     12       4.2848      2.00000
     13       4.7398      2.00000
     14       5.0121      2.00000
     15       5.7120      2.00000
     16       8.1016      2.00000
     17      16.5584      0.00000
     18      16.7733      0.00000
     19      16.8874      0.00000
     20      18.8125      0.00000
     21      18.9820      0.00000
     22      19.5540      0.00000
     23      19.9207      0.00000
     24      20.1874      0.00000
     25      21.2029      0.00000
     26      21.7449      0.00000
     27      22.3887      0.00000
     28      23.0711      0.00000
     29      23.1091      0.00000
     30      23.5533      0.00000
     31      24.4902      0.00000
     32      24.8733      0.00000
     33      27.3576      0.00000
     34      29.3751      0.00000
     35      30.1507      0.00000
     36      31.2248      0.00000
     37      31.4440      0.00000
     38      31.5797      0.00000
     39      32.5337      0.00000
     40      33.4064      0.00000

 k-point    30 :       0.4667    0.2667    0.0000
  band No.  band energies     occupation 
      1      -9.0942      2.00000
      2      -8.4964      2.00000
      3      -5.1421      2.00000
      4      -4.6709      2.00000
      5      -0.7097      2.00000
      6      -0.2841      2.00000
      7       0.7659      2.00000
      8       1.1710      2.00000
      9       2.8483      2.00000
     10       3.4790      2.00000
     11       3.9074      2.00000
     12       4.4333      2.00000
     13       4.4627      2.00000
     14       4.6304      2.00000
     15       6.5832      2.00000
     16       7.3976      2.00000
     17      16.6564      0.00000
     18      16.7740      0.00000
     19      17.6609      0.00000
     20      18.6554      0.00000
     21      19.5142      0.00000
     22      20.0574      0.00000
     23      20.0715      0.00000
     24      20.9816      0.00000
     25      21.2772      0.00000
     26      21.4905      0.00000
     27      22.0594      0.00000
     28      22.2977      0.00000
     29      22.6335      0.00000
     30      23.6246      0.00000
     31      24.3277      0.00000
     32      24.7267      0.00000
     33      27.5996      0.00000
     34      28.3460      0.00000
     35      30.4492      0.00000
     36      30.9258      0.00000
     37      31.4095      0.00000
     38      31.5349      0.00000
     39      32.6968      0.00000
     40      32.9587      0.00000

 k-point    31 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.6975      2.00000
      2      -6.7507      2.00000
      3      -6.7507      2.00000
      4      -4.2607      2.00000
      5      -1.1336      2.00000
      6       0.4002      2.00000
      7       1.1269      2.00000
      8       1.1269      2.00000
      9       2.4859      2.00000
     10       2.4859      2.00000
     11       4.1317      2.00000
     12       5.0081      2.00000
     13       5.0119      2.00000
     14       5.0119      2.00000
     15       5.1318      2.00000
     16       8.4712      2.00000
     17      16.2384      0.00000
     18      17.5272      0.00000
     19      17.6052      0.00000
     20      17.6052      0.00000
     21      18.5523      0.00000
     22      19.2805      0.00000
     23      19.8889      0.00000
     24      19.8889      0.00000
     25      21.3970      0.00000
     26      21.3970      0.00000
     27      22.8665      0.00000
     28      23.4995      0.00000
     29      23.7029      0.00000
     30      24.1321      0.00000
     31      24.1321      0.00000
     32      24.9914      0.00000
     33      26.8790      0.00000
     34      30.0109      0.00000
     35      30.6473      0.00000
     36      30.6473      0.00000
     37      31.0760      0.00000
     38      32.0410      0.00000
     39      32.0410      0.00000
     40      33.3894      0.00000

 k-point    32 :       0.4000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.2557      2.00000
      2      -7.4810      2.00000
      3      -6.3484      2.00000
      4      -4.8219      2.00000
      5      -0.7460      2.00000
      6       0.6343      2.00000
      7       0.6356      2.00000
      8       1.6831      2.00000
      9       1.9343      2.00000
     10       2.8653      2.00000
     11       3.4767      2.00000
     12       4.4018      2.00000
     13       5.1810      2.00000
     14       5.3429      2.00000
     15       5.9044      2.00000
     16       8.0795      2.00000
     17      16.6823      0.00000
     18      17.6442      0.00000
     19      17.7481      0.00000
     20      18.6872      0.00000
     21      18.7904      0.00000
     22      19.1934      0.00000
     23      19.7014      0.00000
     24      20.0338      0.00000
     25      21.6795      0.00000
     26      22.0836      0.00000
     27      22.1275      0.00000
     28      23.1621      0.00000
     29      23.4756      0.00000
     30      24.1903      0.00000
     31      24.1981      0.00000
     32      24.5993      0.00000
     33      26.7665      0.00000
     34      29.6119      0.00000
     35      30.0178      0.00000
     36      30.8630      0.00000
     37      31.1176      0.00000
     38      31.5158      0.00000
     39      32.1308      0.00000
     40      32.9298      0.00000

 k-point    33 :       0.4667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.7372      2.00000
      2      -8.1446      2.00000
      3      -5.8856      2.00000
      4      -5.3717      2.00000
      5      -0.3159      2.00000
      6       0.1488      2.00000
      7       0.9855      2.00000
      8       1.4265      2.00000
      9       2.2533      2.00000
     10       2.8499      2.00000
     11       3.3173      2.00000
     12       3.8332      2.00000
     13       5.3209      2.00000
     14       5.3910      2.00000
     15       6.7503      2.00000
     16       7.4925      2.00000
     17      17.3788      0.00000
     18      17.7037      0.00000
     19      17.7578      0.00000
     20      18.2527      0.00000
     21      18.9493      0.00000
     22      19.3119      0.00000
     23      19.9926      0.00000
     24      21.0319      0.00000
     25      21.1383      0.00000
     26      22.1040      0.00000
     27      22.2923      0.00000
     28      22.9527      0.00000
     29      23.0411      0.00000
     30      23.9269      0.00000
     31      24.2803      0.00000
     32      24.3432      0.00000
     33      27.4513      0.00000
     34      28.5045      0.00000
     35      30.3552      0.00000
     36      30.9106      0.00000
     37      31.0261      0.00000
     38      31.1087      0.00000
     39      32.2359      0.00000
     40      32.4624      0.00000

 k-point    34 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.8176      2.00000
      2      -7.0651      2.00000
      3      -7.0651      2.00000
      4      -5.4483      2.00000
      5      -0.3359      2.00000
      6       0.9225      2.00000
      7       1.1391      2.00000
      8       1.1391      2.00000
      9       2.2995      2.00000
     10       2.2995      2.00000
     11       2.8435      2.00000
     12       3.8052      2.00000
     13       5.7730      2.00000
     14       6.0424      2.00000
     15       6.0424      2.00000
     16       7.8561      2.00000
     17      16.8700      0.00000
     18      18.3955      0.00000
     19      18.5001      0.00000
     20      18.7864      0.00000
     21      18.7864      0.00000
     22      18.8374      0.00000
     23      18.8374      0.00000
     24      20.4267      0.00000
     25      21.6612      0.00000
     26      22.5723      0.00000
     27      22.5723      0.00000
     28      23.2541      0.00000
     29      23.2541      0.00000
     30      23.6484      0.00000
     31      24.0978      0.00000
     32      24.5024      0.00000
     33      27.1064      0.00000
     34      29.9605      0.00000
     35      30.0033      0.00000
     36      30.0033      0.00000
     37      30.9556      0.00000
     38      31.5082      0.00000
     39      31.5082      0.00000
     40      32.2291      0.00000

 k-point    35 :       0.4667    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.3045      2.00000
      2      -7.7190      2.00000
      3      -6.5828      2.00000
      4      -6.0404      2.00000
      5       0.1191      2.00000
      6       0.6137      2.00000
      7       1.3089      2.00000
      8       1.6721      2.00000
      9       1.7739      2.00000
     10       2.2404      2.00000
     11       2.7399      2.00000
     12       3.2459      2.00000
     13       6.0166      2.00000
     14       6.0934      2.00000
     15       6.8086      2.00000
     16       7.4266      2.00000
     17      17.3278      0.00000
     18      18.0090      0.00000
     19      18.4599      0.00000
     20      18.5779      0.00000
     21      18.6909      0.00000
     22      18.7736      0.00000
     23      19.9113      0.00000
     24      20.9121      0.00000
     25      21.2090      0.00000
     26      22.2126      0.00000
     27      23.0866      0.00000
     28      23.4169      0.00000
     29      23.4378      0.00000
     30      23.4955      0.00000
     31      23.7013      0.00000
     32      24.1153      0.00000
     33      28.0167      0.00000
     34      29.0334      0.00000
     35      30.2296      0.00000
     36      30.3952      0.00000
     37      30.7183      0.00000
     38      30.8079      0.00000
     39      31.5245      0.00000
     40      31.7287      0.00000

 k-point    36 :       0.4667    0.4667    0.0000
  band No.  band energies     occupation 
      1      -7.7986      2.00000
      2      -7.2229      2.00000
      3      -7.2229      2.00000
      4      -6.6611      2.00000
      5       0.5976      2.00000
      6       1.1173      2.00000
      7       1.1173      2.00000
      8       1.6605      2.00000
      9       1.7190      2.00000
     10       2.2011      2.00000
     11       2.2011      2.00000
     12       2.6961      2.00000
     13       6.4659      2.00000
     14       6.7246      2.00000
     15       6.7246      2.00000
     16       7.1740      2.00000
     17      17.5256      0.00000
     18      17.9583      0.00000
     19      17.9583      0.00000
     20      18.1140      0.00000
     21      19.3897      0.00000
     22      19.7541      0.00000
     23      19.7541      0.00000
     24      20.4883      0.00000
     25      21.6634      0.00000
     26      22.4603      0.00000
     27      22.4603      0.00000
     28      22.9616      0.00000
     29      23.7255      0.00000
     30      23.7255      0.00000
     31      23.7731      0.00000
     32      24.0776      0.00000
     33      28.8298      0.00000
     34      29.6516      0.00000
     35      29.6516      0.00000
     36      30.2293      0.00000
     37      30.3388      0.00000
     38      30.8091      0.00000
     39      30.8091      0.00000
     40      31.1086      0.00000

 k-point    37 :       0.0667    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.6154      2.00000
      2      -3.9625      2.00000
      3      -3.9625      2.00000
      4      -3.9625      2.00000
      5      -1.8377      2.00000
      6      -1.8377      2.00000
      7      -1.8377      2.00000
      8       3.1315      2.00000
      9       3.1315      2.00000
     10       3.1315      2.00000
     11       3.6143      2.00000
     12       3.6143      2.00000
     13       3.6143      2.00000
     14       9.0276      2.00000
     15       9.6422      2.00000
     16       9.6422      2.00000
     17      14.5992      0.00000
     18      14.5992      0.00000
     19      14.5992      0.00000
     20      15.4345      0.00000
     21      15.4345      0.00000
     22      15.4345      0.00000
     23      15.7563      0.00000
     24      15.7563      0.00000
     25      15.9764      0.00000
     26      23.4985      0.00000
     27      26.4565      0.00000
     28      26.4565      0.00000
     29      26.4565      0.00000
     30      26.5511      0.00000
     31      26.5511      0.00000
     32      26.5511      0.00000
     33      29.4819      0.00000
     34      32.6910      0.00000
     35      32.6910      0.00000
     36      32.6910      0.00000
     37      33.3579      0.00000
     38      33.3579      0.00000
     39      33.3579      0.00000
     40      34.7925      0.00000

 k-point    38 :       0.1333    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.4918      2.00000
      2      -4.9623      2.00000
      3      -3.8731      2.00000
      4      -3.8731      2.00000
      5      -1.7842      2.00000
      6      -1.7842      2.00000
      7      -0.7374      2.00000
      8       2.6990      2.00000
      9       2.6990      2.00000
     10       3.2683      2.00000
     11       3.5926      2.00000
     12       3.5926      2.00000
     13       3.7342      2.00000
     14       8.4549      2.00000
     15       9.2068      2.00000
     16       9.5628      2.00000
     17      14.4544      0.00000
     18      14.8971      0.00000
     19      14.8971      0.00000
     20      15.6769      0.00000
     21      15.8640      0.00000
     22      16.0717      0.00000
     23      16.0717      0.00000
     24      16.2911      0.00000
     25      16.4190      0.00000
     26      23.5756      0.00000
     27      26.0623      0.00000
     28      26.1224      0.00000
     29      26.1224      0.00000
     30      26.1398      0.00000
     31      26.4049      0.00000
     32      26.4049      0.00000
     33      29.6788      0.00000
     34      32.2218      0.00000
     35      32.2218      0.00000
     36      32.5329      0.00000
     37      33.2179      0.00000
     38      33.3163      0.00000
     39      33.3163      0.00000
     40      33.3432      0.00000

 k-point    39 :       0.2000    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.2860      2.00000
      2      -5.9089      2.00000
      3      -3.7296      2.00000
      4      -3.7296      2.00000
      5      -1.7077      2.00000
      6      -1.7077      2.00000
      7       0.3662      2.00000
      8       2.2216      2.00000
      9       2.2216      2.00000
     10       3.4123      2.00000
     11       3.4123      2.00000
     12       3.5006      2.00000
     13       3.9330      2.00000
     14       7.7886      2.00000
     15       8.6149      2.00000
     16       9.2419      2.00000
     17      14.3629      0.00000
     18      15.4742      0.00000
     19      15.4742      0.00000
     20      15.5351      0.00000
     21      16.4295      0.00000
     22      16.9569      0.00000
     23      16.9569      0.00000
     24      17.0473      0.00000
     25      17.0999      0.00000
     26      23.5960      0.00000
     27      25.4574      0.00000
     28      25.5143      0.00000
     29      25.5402      0.00000
     30      25.5402      0.00000
     31      26.1461      0.00000
     32      26.1461      0.00000
     33      29.9902      0.00000
     34      31.6614      0.00000
     35      31.6614      0.00000
     36      31.6977      0.00000
     37      32.2604      0.00000
     38      33.1269      0.00000
     39      33.1269      0.00000
     40      33.3014      0.00000

 k-point    40 :       0.2667    0.0667    0.0667
  band No.  band energies     occupation 
      1     -10.9984      2.00000
      2      -6.7956      2.00000
      3      -3.5421      2.00000
      4      -3.5421      2.00000
      5      -1.6292      2.00000
      6      -1.6292      2.00000
      7       1.4488      2.00000
      8       1.7659      2.00000
      9       1.7659      2.00000
     10       3.1280      2.00000
     11       3.1280      2.00000
     12       3.8364      2.00000
     13       4.2094      2.00000
     14       7.0819      2.00000
     15       7.9567      2.00000
     16       8.7240      2.00000
     17      14.3352      0.00000
     18      15.3552      0.00000
     19      16.2966      0.00000
     20      16.2966      0.00000
     21      17.1185      0.00000
     22      17.9334      0.00000
     23      17.9369      0.00000
     24      18.0072      0.00000
     25      18.0072      0.00000
     26      23.4041      0.00000
     27      24.6961      0.00000
     28      24.7305      0.00000
     29      24.7305      0.00000
     30      24.7329      0.00000
     31      25.7208      0.00000
     32      25.7208      0.00000
     33      30.3892      0.00000
     34      30.5641      0.00000
     35      31.0888      0.00000
     36      31.0888      0.00000
     37      31.8923      0.00000
     38      32.8638      0.00000
     39      32.8638      0.00000
     40      33.1960      0.00000

 k-point    41 :       0.3333    0.0667    0.0667
  band No.  band energies     occupation 
      1     -10.6299      2.00000
      2      -7.6172      2.00000
      3      -3.3293      2.00000
      4      -3.3293      2.00000
      5      -1.5776      2.00000
      6      -1.5776      2.00000
      7       1.3949      2.00000
      8       1.3949      2.00000
      9       2.4760      2.00000
     10       2.8080      2.00000
     11       2.8080      2.00000
     12       4.2928      2.00000
     13       4.5613      2.00000
     14       6.3665      2.00000
     15       7.2872      2.00000
     16       8.0574      2.00000
     17      14.3682      0.00000
     18      15.1547      0.00000
     19      17.3024      0.00000
     20      17.3024      0.00000
     21      17.9290      0.00000
     22      18.8705      0.00000
     23      18.8919      0.00000
     24      19.1519      0.00000
     25      19.1519      0.00000
     26      22.8642      0.00000
     27      23.7459      0.00000
     28      23.7459      0.00000
     29      23.8265      0.00000
     30      23.8450      0.00000
     31      25.0809      0.00000
     32      25.0809      0.00000
     33      29.9566      0.00000
     34      30.5859      0.00000
     35      30.5859      0.00000
     36      30.8627      0.00000
     37      31.4559      0.00000
     38      32.6192      0.00000
     39      32.6192      0.00000
     40      32.9991      0.00000

 k-point    42 :       0.4000    0.0667    0.0667
  band No.  band energies     occupation 
      1     -10.1814      2.00000
      2      -8.3695      2.00000
      3      -3.1262      2.00000
      4      -3.1262      2.00000
      5      -1.5741      2.00000
      6      -1.5741      2.00000
      7       1.1545      2.00000
      8       1.1545      2.00000
      9       2.5246      2.00000
     10       2.5246      2.00000
     11       3.4055      2.00000
     12       4.8928      2.00000
     13       4.9854      2.00000
     14       5.6573      2.00000
     15       6.6389      2.00000
     16       7.2870      2.00000
     17      14.4553      0.00000
     18      14.9502      0.00000
     19      18.4159      0.00000
     20      18.4159      0.00000
     21      18.8546      0.00000
     22      19.8590      0.00000
     23      19.8877      0.00000
     24      20.2747      0.00000
     25      20.2747      0.00000
     26      21.9965      0.00000
     27      22.7181      0.00000
     28      22.7181      0.00000
     29      22.8863      0.00000
     30      22.8882      0.00000
     31      24.2194      0.00000
     32      24.2194      0.00000
     33      29.8612      0.00000
     34      30.2256      0.00000
     35      30.2256      0.00000
     36      30.9813      0.00000
     37      31.3607      0.00000
     38      32.4466      0.00000
     39      32.4466      0.00000
     40      32.7017      0.00000

 k-point    43 :       0.4667    0.0667    0.0667
  band No.  band energies     occupation 
      1      -9.6540      2.00000
      2      -9.0493      2.00000
      3      -2.9924      2.00000
      4      -2.9924      2.00000
      5      -1.5988      2.00000
      6      -1.5988      2.00000
      7       1.0488      2.00000
      8       1.0488      2.00000
      9       2.3534      2.00000
     10       2.3534      2.00000
     11       4.2180      2.00000
     12       4.9506      2.00000
     13       5.4774      2.00000
     14       5.6349      2.00000
     15       6.0314      2.00000
     16       6.4596      2.00000
     17      14.5881      0.00000
     18      14.7570      0.00000
     19      19.4827      0.00000
     20      19.4827      0.00000
     21      19.8765      0.00000
     22      20.7875      0.00000
     23      20.7875      0.00000
     24      20.8646      0.00000
     25      20.8976      0.00000
     26      20.9616      0.00000
     27      21.8904      0.00000
     28      21.9030      0.00000
     29      22.3051      0.00000
     30      22.3051      0.00000
     31      23.2172      0.00000
     32      23.2172      0.00000
     33      30.0430      0.00000
     34      30.0430      0.00000
     35      30.0997      0.00000
     36      30.5083      0.00000
     37      31.8558      0.00000
     38      32.3130      0.00000
     39      32.3605      0.00000
     40      32.3605      0.00000

 k-point    44 :       0.1333    0.1333    0.0667
  band No.  band energies     occupation 
      1     -11.3683      2.00000
      2      -4.8627      2.00000
      3      -4.8627      2.00000
      4      -3.7913      2.00000
      5      -1.7456      2.00000
      6      -0.7210      2.00000
      7      -0.7210      2.00000
      8       2.1531      2.00000
      9       2.8578      2.00000
     10       2.8578      2.00000
     11       3.7171      2.00000
     12       3.7171      2.00000
     13       3.8192      2.00000
     14       7.8327      2.00000
     15       8.9267      2.00000
     16       9.5089      2.00000
     17      14.8191      0.00000
     18      14.8191      0.00000
     19      14.9030      0.00000
     20      15.9769      0.00000
     21      16.4280      0.00000
     22      16.4280      0.00000
     23      16.4337      0.00000
     24      16.7272      0.00000
     25      16.8845      0.00000
     26      23.6749      0.00000
     27      25.6516      0.00000
     28      25.6516      0.00000
     29      25.8701      0.00000
     30      26.0581      0.00000
     31      26.0581      0.00000
     32      26.2397      0.00000
     33      29.8499      0.00000
     34      31.5391      0.00000
     35      32.2375      0.00000
     36      32.2375      0.00000
     37      32.9872      0.00000
     38      33.2017      0.00000
     39      33.2017      0.00000
     40      33.6006      0.00000

 k-point    45 :       0.2000    0.1333    0.0667
  band No.  band energies     occupation 
      1     -11.1627      2.00000
      2      -5.8025      2.00000
      3      -4.7002      2.00000
      4      -3.6643      2.00000
      5      -1.6981      2.00000
      6      -0.7157      2.00000
      7       0.3219      2.00000
      8       1.6327      2.00000
      9       2.4129      2.00000
     10       3.1323      2.00000
     11       3.5550      2.00000
     12       3.8644      2.00000
     13       3.9262      2.00000
     14       7.1398      2.00000
     15       8.3825      2.00000
     16       9.3129      2.00000
     17      14.7678      0.00000
     18      15.2167      0.00000
     19      15.4409      0.00000
     20      15.9528      0.00000
     21      16.9428      0.00000
     22      17.0558      0.00000
     23      17.2547      0.00000
     24      17.2569      0.00000
     25      17.8893      0.00000
     26      23.7319      0.00000
     27      24.9580      0.00000
     28      24.9902      0.00000
     29      25.3610      0.00000
     30      25.4802      0.00000
     31      25.9399      0.00000
     32      26.0038      0.00000
     33      30.1210      0.00000
     34      30.8410      0.00000
     35      31.7378      0.00000
     36      31.8066      0.00000
     37      32.1706      0.00000
     38      33.0202      0.00000
     39      33.0531      0.00000
     40      33.6623      0.00000

 k-point    46 :       0.2667    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.8756      2.00000
      2      -6.6844      2.00000
      3      -4.4805      2.00000
      4      -3.5112      2.00000
      5      -1.6655      2.00000
      6      -0.7551      2.00000
      7       1.2111      2.00000
      8       1.3055      2.00000
      9       1.9999      2.00000
     10       3.3102      2.00000
     11       3.5368      2.00000
     12       3.7516      2.00000
     13       4.2258      2.00000
     14       6.4219      2.00000
     15       7.7510      2.00000
     16       8.9022      2.00000
     17      14.7648      0.00000
     18      15.7991      0.00000
     19      15.8280      0.00000
     20      16.2892      0.00000
     21      17.5924      0.00000
     22      17.9067      0.00000
     23      17.9478      0.00000
     24      18.2612      0.00000
     25      19.0150      0.00000
     26      23.5904      0.00000
     27      24.0536      0.00000
     28      24.2038      0.00000
     29      24.6004      0.00000
     30      24.7259      0.00000
     31      25.6459      0.00000
     32      25.7280      0.00000
     33      30.1918      0.00000
     34      30.4662      0.00000
     35      30.7285      0.00000
     36      31.0632      0.00000
     37      31.9517      0.00000
     38      32.8629      0.00000
     39      32.9027      0.00000
     40      33.5142      0.00000

 k-point    47 :       0.3333    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.5077      2.00000
      2      -7.5026      2.00000
      3      -4.2140      2.00000
      4      -3.3713      2.00000
      5      -1.6607      2.00000
      6      -0.8740      2.00000
      7       0.9550      2.00000
      8       1.6631      2.00000
      9       2.1880      2.00000
     10       3.0657      2.00000
     11       3.5340      2.00000
     12       4.0717      2.00000
     13       4.6352      2.00000
     14       5.7058      2.00000
     15       7.0972      2.00000
     16       8.3113      2.00000
     17      14.8136      0.00000
     18      15.6099      0.00000
     19      16.6804      0.00000
     20      17.3090      0.00000
     21      18.3680      0.00000
     22      18.7560      0.00000
     23      18.8540      0.00000
     24      19.3487      0.00000
     25      20.1965      0.00000
     26      23.0294      0.00000
     27      23.1073      0.00000
     28      23.3388      0.00000
     29      23.6461      0.00000
     30      23.8502      0.00000
     31      25.0960      0.00000
     32      25.3607      0.00000
     33      29.6574      0.00000
     34      30.1219      0.00000
     35      30.3302      0.00000
     36      30.8895      0.00000
     37      31.5919      0.00000
     38      32.7254      0.00000
     39      32.7610      0.00000
     40      33.2569      0.00000

 k-point    48 :       0.4000    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.0599      2.00000
      2      -8.2524      2.00000
      3      -3.9195      2.00000
      4      -3.3139      2.00000
      5      -1.6439      2.00000
      6      -1.0787      2.00000
      7       0.8915      2.00000
      8       1.3989      2.00000
      9       2.9103      2.00000
     10       2.9577      2.00000
     11       3.2765      2.00000
     12       4.6717      2.00000
     13       5.0059      2.00000
     14       5.2072      2.00000
     15       6.4549      2.00000
     16       7.5883      2.00000
     17      14.9105      0.00000
     18      15.4110      0.00000
     19      17.6979      0.00000
     20      18.4242      0.00000
     21      19.2600      0.00000
     22      19.6367      0.00000
     23      19.8519      0.00000
     24      20.2928      0.00000
     25      21.2592      0.00000
     26      22.1376      0.00000
     27      22.2909      0.00000
     28      22.4277      0.00000
     29      22.6885      0.00000
     30      22.8963      0.00000
     31      24.3163      0.00000
     32      24.7669      0.00000
     33      29.3049      0.00000
     34      29.7036      0.00000
     35      30.0300      0.00000
     36      31.1491      0.00000
     37      31.3260      0.00000
     38      32.4794      0.00000
     39      32.7203      0.00000
     40      33.0110      0.00000

 k-point    49 :       0.4667    0.1333    0.0667
  band No.  band energies     occupation 
      1      -9.5336      2.00000
      2      -8.9303      2.00000
      3      -3.6305      2.00000
      4      -3.4051      2.00000
      5      -1.5358      2.00000
      6      -1.3250      2.00000
      7       0.9862      2.00000
      8       1.1727      2.00000
      9       2.9050      2.00000
     10       3.0450      2.00000
     11       3.6531      2.00000
     12       4.3253      2.00000
     13       5.2547      2.00000
     14       5.8406      2.00000
     15       5.9578      2.00000
     16       6.7835      2.00000
     17      15.0488      0.00000
     18      15.2194      0.00000
     19      18.7697      0.00000
     20      19.3470      0.00000
     21      20.2473      0.00000
     22      20.3500      0.00000
     23      20.5568      0.00000
     24      20.8686      0.00000
     25      21.0339      0.00000
     26      21.2943      0.00000
     27      21.4945      0.00000
     28      21.8968      0.00000
     29      22.3479      0.00000
     30      22.9152      0.00000
     31      23.3621      0.00000
     32      23.9258      0.00000
     33      29.1804      0.00000
     34      29.3084      0.00000
     35      30.2736      0.00000
     36      30.6847      0.00000
     37      31.7582      0.00000
     38      32.1522      0.00000
     39      32.7432      0.00000
     40      32.8371      0.00000

 k-point    50 :       0.2000    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.9576      2.00000
      2      -5.6274      2.00000
      3      -5.6274      2.00000
      4      -3.5747      2.00000
      5      -1.7029      2.00000
      6       0.2163      2.00000
      7       0.2163      2.00000
      8       1.1445      2.00000
      9       2.7428      2.00000
     10       2.7428      2.00000
     11       3.8043      2.00000
     12       3.8043      2.00000
     13       4.1536      2.00000
     14       6.4343      2.00000
     15       7.8832      2.00000
     16       9.2697      2.00000
     17      15.2573      0.00000
     18      15.4256      0.00000
     19      15.4256      0.00000
     20      16.3476      0.00000
     21      17.2574      0.00000
     22      17.5632      0.00000
     23      17.7159      0.00000
     24      17.7159      0.00000
     25      18.9688      0.00000
     26      23.8526      0.00000
     27      24.2377      0.00000
     28      24.2377      0.00000
     29      24.9875      0.00000
     30      25.4509      0.00000
     31      25.4509      0.00000
     32      25.7804      0.00000
     33      30.0336      0.00000
     34      30.3302      0.00000
     35      31.5892      0.00000
     36      31.8289      0.00000
     37      31.8289      0.00000
     38      32.8251      0.00000
     39      32.8251      0.00000
     40      33.3720      0.00000

 k-point    51 :       0.2667    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.6713      2.00000
      2      -6.5006      2.00000
      3      -5.3873      2.00000
      4      -3.5015      2.00000
      5      -1.7314      2.00000
      6       0.0165      2.00000
      7       0.8330      2.00000
      8       1.0451      2.00000
      9       2.3787      2.00000
     10       3.2051      2.00000
     11       3.6442      2.00000
     12       4.1865      2.00000
     13       4.2617      2.00000
     14       5.7137      2.00000
     15       7.2826      2.00000
     16       9.0073      2.00000
     17      15.4471      0.00000
     18      15.6184      0.00000
     19      16.2981      0.00000
     20      16.3923      0.00000
     21      17.9211      0.00000
     22      18.0249      0.00000
     23      18.3129      0.00000
     24      18.6609      0.00000
     25      20.1353      0.00000
     26      23.3016      0.00000
     27      23.4411      0.00000
     28      23.8046      0.00000
     29      24.3526      0.00000
     30      24.7388      0.00000
     31      25.3901      0.00000
     32      25.4815      0.00000
     33      29.3013      0.00000
     34      30.5982      0.00000
     35      30.8434      0.00000
     36      31.1273      0.00000
     37      31.8556      0.00000
     38      32.5646      0.00000
     39      32.7557      0.00000
     40      33.5618      0.00000

 k-point    52 :       0.3333    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.3044      2.00000
      2      -7.3127      2.00000
      3      -5.0886      2.00000
      4      -3.5177      2.00000
      5      -1.7372      2.00000
      6      -0.2849      2.00000
      7       0.7369      2.00000
      8       1.7615      2.00000
      9       2.0405      2.00000
     10       3.5379      2.00000
     11       3.7441      2.00000
     12       4.2119      2.00000
     13       4.7419      2.00000
     14       5.0024      2.00000
     15       6.6506      2.00000
     16       8.5328      2.00000
     17      15.5108      0.00000
     18      16.2659      0.00000
     19      16.2694      0.00000
     20      17.3307      0.00000
     21      18.6204      0.00000
     22      18.8265      0.00000
     23      19.0354      0.00000
     24      19.6466      0.00000
     25      21.3217      0.00000
     26      22.3207      0.00000
     27      22.6074      0.00000
     28      23.4338      0.00000
     29      23.4789      0.00000
     30      23.8744      0.00000
     31      25.0543      0.00000
     32      25.2635      0.00000
     33      28.7037      0.00000
     34      30.2239      0.00000
     35      30.2939      0.00000
     36      30.9307      0.00000
     37      31.7028      0.00000
     38      32.3182      0.00000
     39      32.7743      0.00000
     40      33.7938      0.00000

 k-point    53 :       0.4000    0.2000    0.0667
  band No.  band energies     occupation 
      1      -9.8580      2.00000
      2      -8.0580      2.00000
      3      -4.7422      2.00000
      4      -3.6892      2.00000
      5      -1.6296      2.00000
      6      -0.6545      2.00000
      7       0.8317      2.00000
      8       1.7026      2.00000
      9       2.4041      2.00000
     10       3.5459      2.00000
     11       4.0556      2.00000
     12       4.2924      2.00000
     13       4.3145      2.00000
     14       5.4709      2.00000
     15       6.0232      2.00000
     16       7.8882      2.00000
     17      15.6151      0.00000
     18      16.0952      0.00000
     19      17.1447      0.00000
     20      18.4424      0.00000
     21      19.3172      0.00000
     22      19.8216      0.00000
     23      19.8675      0.00000
     24      20.1640      0.00000
     25      21.7661      0.00000
     26      21.8360      0.00000
     27      22.0645      0.00000
     28      22.7229      0.00000
     29      22.8357      0.00000
     30      22.9149      0.00000
     31      24.4173      0.00000
     32      25.0031      0.00000
     33      28.3263      0.00000
     34      29.3149      0.00000
     35      30.2125      0.00000
     36      31.2699      0.00000
     37      31.3404      0.00000
     38      32.1180      0.00000
     39      32.8386      0.00000
     40      33.4282      0.00000

 k-point    54 :       0.4667    0.2000    0.0667
  band No.  band energies     occupation 
      1      -9.3334      2.00000
      2      -8.7326      2.00000
      3      -4.3670      2.00000
      4      -3.9967      2.00000
      5      -1.3821      2.00000
      6      -1.0387      2.00000
      7       1.0595      2.00000
      8       1.3650      2.00000
      9       3.0243      2.00000
     10       3.6561      2.00000
     11       3.6655      2.00000
     12       3.8538      2.00000
     13       4.8444      2.00000
     14       5.4191      2.00000
     15       6.2951      2.00000
     16       7.1237      2.00000
     17      15.7540      0.00000
     18      15.9183      0.00000
     19      18.1520      0.00000
     20      19.0381      0.00000
     21      20.0406      0.00000
     22      20.0788      0.00000
     23      20.6848      0.00000
     24      20.8486      0.00000
     25      21.0342      0.00000
     26      21.0831      0.00000
     27      21.8171      0.00000
     28      21.9053      0.00000
     29      22.5542      0.00000
     30      23.5302      0.00000
     31      23.7207      0.00000
     32      24.5038      0.00000
     33      28.2710      0.00000
     34      28.6090      0.00000
     35      30.4679      0.00000
     36      30.8884      0.00000
     37      31.5994      0.00000
     38      31.8879      0.00000
     39      32.9519      0.00000
     40      33.1394      0.00000

 k-point    55 :       0.2667    0.2667    0.0667
  band No.  band energies     occupation 
      1     -10.3861      2.00000
      2      -6.2468      2.00000
      3      -6.2468      2.00000
      4      -3.5866      2.00000
      5      -1.7765      2.00000
      6       0.6724      2.00000
      7       0.6724      2.00000
      8       0.6800      2.00000
      9       2.8460      2.00000
     10       2.8460      2.00000
     11       4.1690      2.00000
     12       4.1690      2.00000
     13       4.6067      2.00000
     14       4.9968      2.00000
     15       6.7087      2.00000
     16       8.9103      2.00000
     17      15.7150      0.00000
     18      16.3358      0.00000
     19      16.3358      0.00000
     20      16.8710      0.00000
     21      18.1729      0.00000
     22      18.2165      0.00000
     23      19.1860      0.00000
     24      19.1860      0.00000
     25      21.3126      0.00000
     26      22.5303      0.00000
     27      22.5303      0.00000
     28      23.9056      0.00000
     29      23.9115      0.00000
     30      24.7533      0.00000
     31      24.7533      0.00000
     32      25.2201      0.00000
     33      28.5038      0.00000
     34      30.6403      0.00000
     35      30.7770      0.00000
     36      31.2596      0.00000
     37      31.2596      0.00000
     38      32.5091      0.00000
     39      32.5091      0.00000
     40      33.1412      0.00000

 k-point    56 :       0.3333    0.2667    0.0667
  band No.  band energies     occupation 
      1     -10.0206      2.00000
      2      -7.0493      2.00000
      3      -5.9271      2.00000
      4      -3.8327      2.00000
      5      -1.7044      2.00000
      6       0.2236      2.00000
      7       0.7333      2.00000
      8       1.2518      2.00000
      9       2.4518      2.00000
     10       3.3346      2.00000
     11       4.2231      2.00000
     12       4.2937      2.00000
     13       4.7707      2.00000
     14       4.8828      2.00000
     15       6.0990      2.00000
     16       8.5868      2.00000
     17      16.1226      0.00000
     18      16.4070      0.00000
     19      16.9899      0.00000
     20      17.3747      0.00000
     21      18.5331      0.00000
     22      18.8720      0.00000
     23      19.8076      0.00000
     24      19.9728      0.00000
     25      21.7230      0.00000
     26      21.7872      0.00000
     27      22.4652      0.00000
     28      23.2112      0.00000
     29      23.7297      0.00000
     30      23.9122      0.00000
     31      24.7622      0.00000
     32      24.8873      0.00000
     33      27.8605      0.00000
     34      30.3067      0.00000
     35      30.3374      0.00000
     36      30.9822      0.00000
     37      31.3753      0.00000
     38      32.1414      0.00000
     39      32.5935      0.00000
     40      33.4744      0.00000

 k-point    57 :       0.4000    0.2667    0.0667
  band No.  band energies     occupation 
      1      -9.5763      2.00000
      2      -7.7878      2.00000
      3      -5.5485      2.00000
      4      -4.2177      2.00000
      5      -1.4813      2.00000
      6      -0.2542      2.00000
      7       0.9390      2.00000
      8       1.8081      2.00000
      9       2.0352      2.00000
     10       3.6186      2.00000
     11       3.8311      2.00000
     12       4.3477      2.00000
     13       4.7759      2.00000
     14       5.4908      2.00000
     15       5.7115      2.00000
     16       8.0577      2.00000
     17      16.5098      0.00000
     18      16.8032      0.00000
     19      16.9121      0.00000
     20      18.4722      0.00000
     21      18.9790      0.00000
     22      19.8080      0.00000
     23      19.8140      0.00000
     24      20.3637      0.00000
     25      21.2385      0.00000
     26      21.9221      0.00000
     27      22.1816      0.00000
     28      22.9512      0.00000
     29      23.2112      0.00000
     30      23.5612      0.00000
     31      24.4450      0.00000
     32      24.7466      0.00000
     33      27.4779      0.00000
     34      29.2909      0.00000
     35      30.2727      0.00000
     36      31.1933      0.00000
     37      31.3579      0.00000
     38      31.7405      0.00000
     39      32.7069      0.00000
     40      33.5372      0.00000

 k-point    58 :       0.4667    0.2667    0.0667
  band No.  band energies     occupation 
      1      -9.0545      2.00000
      2      -8.4574      2.00000
      3      -5.1221      2.00000
      4      -4.6671      2.00000
      5      -1.1401      2.00000
      6      -0.7201      2.00000
      7       1.2481      2.00000
      8       1.6238      2.00000
      9       2.3779      2.00000
     10       2.9794      2.00000
     11       4.3513      2.00000
     12       4.5114      2.00000
     13       4.6711      2.00000
     14       4.9048      2.00000
     15       6.5639      2.00000
     16       7.3660      2.00000
     17      16.6377      0.00000
     18      16.7788      0.00000
     19      17.6826      0.00000
     20      18.6224      0.00000
     21      19.5219      0.00000
     22      19.9083      0.00000
     23      20.1060      0.00000
     24      20.8377      0.00000
     25      21.0541      0.00000
     26      21.5696      0.00000
     27      21.9816      0.00000
     28      22.4632      0.00000
     29      22.8424      0.00000
     30      23.7298      0.00000
     31      24.3304      0.00000
     32      24.6498      0.00000
     33      27.5928      0.00000
     34      28.2874      0.00000
     35      30.5635      0.00000
     36      31.0120      0.00000
     37      31.3819      0.00000
     38      31.5313      0.00000
     39      32.8602      0.00000
     40      33.1104      0.00000

 k-point    59 :       0.3333    0.3333    0.0667
  band No.  band energies     occupation 
      1      -9.6574      2.00000
      2      -6.7153      2.00000
      3      -6.7153      2.00000
      4      -4.2915      2.00000
      5      -1.5220      2.00000
      6       0.7071      2.00000
      7       0.7071      2.00000
      8       0.8930      2.00000
      9       2.8772      2.00000
     10       2.8772      2.00000
     11       3.6013      2.00000
     12       5.0467      2.00000
     13       5.0467      2.00000
     14       5.1624      2.00000
     15       5.5098      2.00000
     16       8.4279      2.00000
     17      16.2718      0.00000
     18      17.4431      0.00000
     19      17.4431      0.00000
     20      17.5464      0.00000
     21      18.5456      0.00000
     22      19.1780      0.00000
     23      20.0847      0.00000
     24      20.0847      0.00000
     25      21.4898      0.00000
     26      21.4898      0.00000
     27      22.7381      0.00000
     28      23.5130      0.00000
     29      23.8380      0.00000
     30      23.9706      0.00000
     31      23.9706      0.00000
     32      24.6206      0.00000
     33      27.2510      0.00000
     34      30.1547      0.00000
     35      30.5703      0.00000
     36      30.5703      0.00000
     37      31.0437      0.00000
     38      32.2219      0.00000
     39      32.2219      0.00000
     40      33.4331      0.00000

 k-point    60 :       0.4000    0.3333    0.0667
  band No.  band energies     occupation 
      1      -9.2159      2.00000
      2      -7.4438      2.00000
      3      -6.3154      2.00000
      4      -4.8176      2.00000
      5      -1.2161      2.00000
      6       0.1636      2.00000
      7       1.1688      2.00000
      8       1.2056      2.00000
      9       2.4056      2.00000
     10       2.9395      2.00000
     11       3.3301      2.00000
     12       4.9207      2.00000
     13       5.2130      2.00000
     14       5.3717      2.00000
     15       5.9135      2.00000
     16       8.0498      2.00000
     17      16.7141      0.00000
     18      17.5321      0.00000
     19      17.7397      0.00000
     20      18.5088      0.00000
     21      18.6895      0.00000
     22      19.3739      0.00000
     23      19.7802      0.00000
     24      19.9019      0.00000
     25      21.8088      0.00000
     26      21.9814      0.00000
     27      22.2489      0.00000
     28      23.0317      0.00000
     29      23.6302      0.00000
     30      23.9602      0.00000
     31      24.0663      0.00000
     32      24.5845      0.00000
     33      27.0490      0.00000
     34      29.5833      0.00000
     35      30.1652      0.00000
     36      30.7976      0.00000
     37      31.0923      0.00000
     38      31.7043      0.00000
     39      32.3086      0.00000
     40      33.1117      0.00000

 k-point    61 :       0.4667    0.3333    0.0667
  band No.  band energies     occupation 
      1      -8.6980      2.00000
      2      -8.1063      2.00000
      3      -5.8568      2.00000
      4      -5.3510      2.00000
      5      -0.8184      2.00000
      6      -0.3520      2.00000
      7       1.5285      2.00000
      8       1.7396      2.00000
      9       1.9480      2.00000
     10       2.3175      2.00000
     11       3.8217      2.00000
     12       4.3538      2.00000
     13       5.3509      2.00000
     14       5.4198      2.00000
     15       6.7443      2.00000
     16       7.4746      2.00000
     17      17.4051      0.00000
     18      17.6315      0.00000
     19      17.7189      0.00000
     20      18.2548      0.00000
     21      18.9653      0.00000
     22      19.3482      0.00000
     23      19.8490      0.00000
     24      20.8650      0.00000
     25      20.9703      0.00000
     26      21.8477      0.00000
     27      22.5611      0.00000
     28      23.1144      0.00000
     29      23.1363      0.00000
     30      23.7032      0.00000
     31      24.2425      0.00000
     32      24.5267      0.00000
     33      27.5534      0.00000
     34      28.5236      0.00000
     35      30.4910      0.00000
     36      30.8872      0.00000
     37      31.1022      0.00000
     38      31.1801      0.00000
     39      32.4170      0.00000
     40      32.6445      0.00000

 k-point    62 :       0.4000    0.4000    0.0667
  band No.  band energies     occupation 
      1      -8.7784      2.00000
      2      -7.0294      2.00000
      3      -7.0294      2.00000
      4      -5.4273      2.00000
      5      -0.8582      2.00000
      6       0.6212      2.00000
      7       0.6212      2.00000
      8       1.4909      2.00000
      9       2.2918      2.00000
     10       2.8228      2.00000
     11       2.8228      2.00000
     12       4.3498      2.00000
     13       5.7973      2.00000
     14       6.0572      2.00000
     15       6.0572      2.00000
     16       7.8387      2.00000
     17      16.9014      0.00000
     18      18.3682      0.00000
     19      18.5060      0.00000
     20      18.5332      0.00000
     21      18.5332      0.00000
     22      19.0044      0.00000
     23      19.0044      0.00000
     24      20.2579      0.00000
     25      21.5456      0.00000
     26      22.5596      0.00000
     27      22.5596      0.00000
     28      23.2814      0.00000
     29      23.2814      0.00000
     30      23.5893      0.00000
     31      23.8217      0.00000
     32      24.8076      0.00000
     33      27.3286      0.00000
     34      29.9935      0.00000
     35      29.9935      0.00000
     36      30.1230      0.00000
     37      30.9452      0.00000
     38      31.6960      0.00000
     39      31.6960      0.00000
     40      32.4197      0.00000

 k-point    63 :       0.4667    0.4000    0.0667
  band No.  band energies     occupation 
      1      -8.2660      2.00000
      2      -7.6816      2.00000
      3      -6.5494      2.00000
      4      -6.0114      2.00000
      5      -0.4241      2.00000
      6       0.0732      2.00000
      7       1.1279      2.00000
      8       1.6858      2.00000
      9       1.8849      2.00000
     10       2.3344      2.00000
     11       3.2892      2.00000
     12       3.8011      2.00000
     13       6.0376      2.00000
     14       6.1117      2.00000
     15       6.8116      2.00000
     16       7.4194      2.00000
     17      17.3556      0.00000
     18      18.0246      0.00000
     19      18.4511      0.00000
     20      18.5026      0.00000
     21      18.6591      0.00000
     22      18.7852      0.00000
     23      19.7926      0.00000
     24      20.7903      0.00000
     25      21.0029      0.00000
     26      21.9453      0.00000
     27      22.9358      0.00000
     28      23.2057      0.00000
     29      23.3560      0.00000
     30      23.6992      0.00000
     31      23.9078      0.00000
     32      24.5278      0.00000
     33      28.1308      0.00000
     34      29.0776      0.00000
     35      30.3777      0.00000
     36      30.3840      0.00000
     37      30.7378      0.00000
     38      31.0094      0.00000
     39      31.7155      0.00000
     40      31.9194      0.00000

 k-point    64 :       0.4667    0.4667    0.0667
  band No.  band energies     occupation 
      1      -7.7610      2.00000
      2      -7.1869      2.00000
      3      -7.1869      2.00000
      4      -6.6275      2.00000
      5       0.0365      2.00000
      6       0.5567      2.00000
      7       0.5567      2.00000
      8       1.0961      2.00000
      9       2.3053      2.00000
     10       2.7778      2.00000
     11       2.7778      2.00000
     12       3.2704      2.00000
     13       6.4809      2.00000
     14       6.7341      2.00000
     15       6.7341      2.00000
     16       7.1755      2.00000
     17      17.5518      0.00000
     18      17.9780      0.00000
     19      17.9780      0.00000
     20      18.1316      0.00000
     21      19.3240      0.00000
     22      19.6650      0.00000
     23      19.6650      0.00000
     24      20.3933      0.00000
     25      21.4032      0.00000
     26      22.1390      0.00000
     27      22.1390      0.00000
     28      22.5607      0.00000
     29      24.0061      0.00000
     30      24.0160      0.00000
     31      24.0160      0.00000
     32      24.4068      0.00000
     33      28.9180      0.00000
     34      29.6968      0.00000
     35      29.6968      0.00000
     36      30.2621      0.00000
     37      30.5167      0.00000
     38      30.9974      0.00000
     39      30.9974      0.00000
     40      31.2965      0.00000

 k-point    65 :       0.1333    0.1333    0.1333
  band No.  band energies     occupation 
      1     -11.2449      2.00000
      2      -4.7670      2.00000
      3      -4.7670      2.00000
      4      -4.7670      2.00000
      5      -0.7398      2.00000
      6      -0.7398      2.00000
      7      -0.7398      2.00000
      8       2.3610      2.00000
      9       2.3610      2.00000
     10       2.3610      2.00000
     11       3.9362      2.00000
     12       3.9362      2.00000
     13       3.9362      2.00000
     14       7.1655      2.00000
     15       9.1264      2.00000
     16       9.1264      2.00000
     17      14.9069      0.00000
     18      14.9069      0.00000
     19      14.9069      0.00000
     20      16.4366      0.00000
     21      16.4366      0.00000
     22      16.8931      0.00000
     23      17.1540      0.00000
     24      17.1540      0.00000
     25      17.1540      0.00000
     26      23.7962      0.00000
     27      25.4775      0.00000
     28      25.4775      0.00000
     29      25.4775      0.00000
     30      25.7789      0.00000
     31      25.7789      0.00000
     32      25.7789      0.00000
     33      29.9922      0.00000
     34      31.6837      0.00000
     35      31.6837      0.00000
     36      31.6837      0.00000
     37      33.2603      0.00000
     38      33.2603      0.00000
     39      33.4284      0.00000
     40      33.4284      0.00000

 k-point    66 :       0.2000    0.1333    0.1333
  band No.  band energies     occupation 
      1     -11.0396      2.00000
      2      -5.6982      2.00000
      3      -4.6122      2.00000
      4      -4.6122      2.00000
      5      -0.8060      2.00000
      6      -0.8060      2.00000
      7       0.2068      2.00000
      8       1.9204      2.00000
      9       1.9204      2.00000
     10       2.7353      2.00000
     11       3.9847      2.00000
     12       3.9847      2.00000
     13       4.1301      2.00000
     14       6.4446      2.00000
     15       8.5923      2.00000
     16       9.0762      2.00000
     17      14.9311      0.00000
     18      15.2576      0.00000
     19      15.2576      0.00000
     20      16.3299      0.00000
     21      17.0995      0.00000
     22      17.3095      0.00000
     23      17.5850      0.00000
     24      18.1117      0.00000
     25      18.1117      0.00000
     26      23.8892      0.00000
     27      24.8818      0.00000
     28      24.8818      0.00000
     29      24.8821      0.00000
     30      25.1056      0.00000
     31      25.6224      0.00000
     32      25.6224      0.00000
     33      30.2199      0.00000
     34      31.0574      0.00000
     35      31.0574      0.00000
     36      31.8149      0.00000
     37      32.0003      0.00000
     38      33.1700      0.00000
     39      33.4995      0.00000
     40      33.4995      0.00000

 k-point    67 :       0.2667    0.1333    0.1333
  band No.  band energies     occupation 
      1     -10.7530      2.00000
      2      -6.5746      2.00000
      3      -4.4078      2.00000
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      5      -0.9597      2.00000
      6      -0.9597      2.00000
      7       1.0433      2.00000
      8       1.6146      2.00000
      9       1.6146      2.00000
     10       3.3059      2.00000
     11       3.8866      2.00000
     12       3.8866      2.00000
     13       4.3992      2.00000
     14       5.7121      2.00000
     15       7.9850      2.00000
     16       8.7718      2.00000
     17      14.9873      0.00000
     18      15.8851      0.00000
     19      15.8851      0.00000
     20      16.1649      0.00000
     21      17.8879      0.00000
     22      17.9282      0.00000
     23      18.1637      0.00000
     24      19.2023      0.00000
     25      19.2023      0.00000
     26      23.7969      0.00000
     27      24.0085      0.00000
     28      24.0085      0.00000
     29      24.1429      0.00000
     30      24.2939      0.00000
     31      25.4604      0.00000
     32      25.4604      0.00000
     33      30.3662      0.00000
     34      30.3662      0.00000
     35      30.5091      0.00000
     36      30.9409      0.00000
     37      31.8328      0.00000
     38      32.8706      0.00000
     39      33.4314      0.00000
     40      33.4314      0.00000

 k-point    68 :       0.3333    0.1333    0.1333
  band No.  band energies     occupation 
      1     -10.3857      2.00000
      2      -7.3888      2.00000
      3      -4.1721      2.00000
      4      -4.1721      2.00000
      5      -1.2070      2.00000
      6      -1.2070      2.00000
      7       1.4756      2.00000
      8       1.4756      2.00000
      9       1.7568      2.00000
     10       3.7003      2.00000
     11       3.7003      2.00000
     12       4.0646      2.00000
     13       4.7412      2.00000
     14       4.9921      2.00000
     15       7.3572      2.00000
     16       8.2497      2.00000
     17      15.0808      0.00000
     18      15.9705      0.00000
     19      16.7419      0.00000
     20      16.7419      0.00000
     21      18.6990      0.00000
     22      18.7499      0.00000
     23      18.8795      0.00000
     24      20.3330      0.00000
     25      20.3330      0.00000
     26      23.0021      0.00000
     27      23.0021      0.00000
     28      23.3105      0.00000
     29      23.3706      0.00000
     30      23.3963      0.00000
     31      25.1860      0.00000
     32      25.1860      0.00000
     33      29.6497      0.00000
     34      29.6497      0.00000
     35      30.3176      0.00000
     36      30.8963      0.00000
     37      31.6617      0.00000
     38      32.5840      0.00000
     39      33.2990      0.00000
     40      33.2990      0.00000

 k-point    69 :       0.4000    0.1333    0.1333
  band No.  band energies     occupation 
      1      -9.9387      2.00000
      2      -8.1359      2.00000
      3      -3.9421      2.00000
      4      -3.9421      2.00000
      5      -1.4842      2.00000
      6      -1.4842      2.00000
      7       1.4615      2.00000
      8       1.4615      2.00000
      9       2.3923      2.00000
     10       3.5015      2.00000
     11       3.5015      2.00000
     12       4.2986      2.00000
     13       4.9433      2.00000
     14       5.1524      2.00000
     15       6.7423      2.00000
     16       7.5588      2.00000
     17      15.2111      0.00000
     18      15.7645      0.00000
     19      17.7514      0.00000
     20      17.7514      0.00000
     21      19.5739      0.00000
     22      19.6531      0.00000
     23      19.7195      0.00000
     24      21.0991      0.00000
     25      21.0991      0.00000
     26      22.2928      0.00000
     27      22.2928      0.00000
     28      22.4224      0.00000
     29      22.4491      0.00000
     30      22.6081      0.00000
     31      24.7096      0.00000
     32      24.7096      0.00000
     33      29.0323      0.00000
     34      29.0323      0.00000
     35      30.2295      0.00000
     36      31.2754      0.00000
     37      31.3116      0.00000
     38      32.3125      0.00000
     39      33.1810      0.00000
     40      33.1810      0.00000

 k-point    70 :       0.4667    0.1333    0.1333
  band No.  band energies     occupation 
      1      -9.4135      2.00000
      2      -8.8118      2.00000
      3      -3.7869      2.00000
      4      -3.7869      2.00000
      5      -1.6768      2.00000
      6      -1.6768      2.00000
      7       1.4885      2.00000
      8       1.4885      2.00000
      9       3.0074      2.00000
     10       3.3710      2.00000
     11       3.3710      2.00000
     12       3.6378      2.00000
     13       5.6281      2.00000
     14       5.8588      2.00000
     15       6.1613      2.00000
     16       6.7468      2.00000
     17      15.3738      0.00000
     18      15.5615      0.00000
     19      18.7500      0.00000
     20      18.7500      0.00000
     21      20.4601      0.00000
     22      20.4601      0.00000
     23      20.5107      0.00000
     24      20.5767      0.00000
     25      20.6592      0.00000
     26      21.4806      0.00000
     27      21.5049      0.00000
     28      21.6555      0.00000
     29      23.0034      0.00000
     30      23.0034      0.00000
     31      23.9708      0.00000
     32      23.9708      0.00000
     33      28.6765      0.00000
     34      28.6765      0.00000
     35      30.4744      0.00000
     36      30.8789      0.00000
     37      31.6578      0.00000
     38      32.0095      0.00000
     39      33.1170      0.00000
     40      33.1170      0.00000

 k-point    71 :       0.2000    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.8349      2.00000
      2      -5.5274      2.00000
      3      -5.5274      2.00000
      4      -4.4744      2.00000
      5      -0.9990      2.00000
      6      -0.0256      2.00000
      7      -0.0256      2.00000
      8       1.5756      2.00000
      9       2.4318      2.00000
     10       2.4318      2.00000
     11       4.1862      2.00000
     12       4.1862      2.00000
     13       4.2654      2.00000
     14       5.7065      2.00000
     15       8.3047      2.00000
     16       8.9655      2.00000
     17      15.3278      0.00000
     18      15.3281      0.00000
     19      15.3281      0.00000
     20      16.6924      0.00000
     21      17.2575      0.00000
     22      17.5554      0.00000
     23      18.4793      0.00000
     24      18.4793      0.00000
     25      19.1537      0.00000
     26      24.0435      0.00000
     27      24.2146      0.00000
     28      24.2146      0.00000
     29      24.5994      0.00000
     30      25.0192      0.00000
     31      25.0192      0.00000
     32      25.2378      0.00000
     33      30.3742      0.00000
     34      30.3834      0.00000
     35      31.3103      0.00000
     36      31.3103      0.00000
     37      31.9067      0.00000
     38      33.1416      0.00000
     39      33.2317      0.00000
     40      33.2317      0.00000

 k-point    72 :       0.2667    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.5490      2.00000
      2      -6.3933      2.00000
      3      -5.2952      2.00000
      4      -4.3043      2.00000
      5      -1.2995      2.00000
      6      -0.3832      2.00000
      7       0.6242      2.00000
      8       1.4314      2.00000
      9       2.2609      2.00000
     10       3.1516      2.00000
     11       4.1209      2.00000
     12       4.3749      2.00000
     13       4.4735      2.00000
     14       4.9658      2.00000
     15       7.7695      2.00000
     16       8.7659      2.00000
     17      15.4297      0.00000
     18      15.7009      0.00000
     19      15.9780      0.00000
     20      16.6696      0.00000
     21      17.8736      0.00000
     22      17.9898      0.00000
     23      18.9882      0.00000
     24      19.5137      0.00000
     25      20.2917      0.00000
     26      23.2919      0.00000
     27      23.4414      0.00000
     28      23.8888      0.00000
     29      24.0402      0.00000
     30      24.2545      0.00000
     31      24.9854      0.00000
     32      25.0211      0.00000
     33      29.6807      0.00000
     34      30.6003      0.00000
     35      30.6339      0.00000
     36      31.1401      0.00000
     37      31.5076      0.00000
     38      32.8770      0.00000
     39      33.2421      0.00000
     40      33.4996      0.00000

 k-point    73 :       0.3333    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.1828      2.00000
      2      -7.2005      2.00000
      3      -5.0114      2.00000
      4      -4.1407      2.00000
      5      -1.6329      2.00000
      6      -0.8203      2.00000
      7       1.1917      2.00000
      8       1.4626      2.00000
      9       2.1807      2.00000
     10       3.9856      2.00000
     11       4.0030      2.00000
     12       4.2449      2.00000
     13       4.3365      2.00000
     14       4.8646      2.00000
     15       7.1780      2.00000
     16       8.3505      2.00000
     17      15.5621      0.00000
     18      16.3535      0.00000
     19      16.5080      0.00000
     20      16.8409      0.00000
     21      18.5813      0.00000
     22      18.6877      0.00000
     23      19.6319      0.00000
     24      20.5346      0.00000
     25      21.4249      0.00000
     26      22.3317      0.00000
     27      22.6137      0.00000
     28      22.9426      0.00000
     29      23.3853      0.00000
     30      23.7228      0.00000
     31      24.8390      0.00000
     32      24.9195      0.00000
     33      28.9722      0.00000
     34      29.8008      0.00000
     35      30.5512      0.00000
     36      30.9097      0.00000
     37      31.5738      0.00000
     38      32.4740      0.00000
     39      33.2377      0.00000
     40      33.8129      0.00000

 k-point    74 :       0.4000    0.2000    0.1333
  band No.  band energies     occupation 
      1      -9.7373      2.00000
      2      -7.9425      2.00000
      3      -4.6944      2.00000
      4      -4.0580      2.00000
      5      -1.8666      2.00000
      6      -1.2658      2.00000
      7       1.6060      2.00000
      8       1.7394      2.00000
      9       2.1087      2.00000
     10       3.5571      2.00000
     11       3.9194      2.00000
     12       4.2046      2.00000
     13       4.7793      2.00000
     14       5.4213      2.00000
     15       6.5807      2.00000
     16       7.7441      2.00000
     17      15.7228      0.00000
     18      16.3118      0.00000
     19      17.2203      0.00000
     20      17.8366      0.00000
     21      19.2904      0.00000
     22      19.5815      0.00000
     23      20.3950      0.00000
     24      20.6661      0.00000
     25      21.5753      0.00000
     26      21.7665      0.00000
     27      22.2315      0.00000
     28      22.4564      0.00000
     29      22.8110      0.00000
     30      23.0664      0.00000
     31      24.5416      0.00000
     32      24.7667      0.00000
     33      28.3410      0.00000
     34      28.9260      0.00000
     35      30.4699      0.00000
     36      31.2004      0.00000
     37      31.4395      0.00000
     38      32.0952      0.00000
     39      33.2517      0.00000
     40      33.5998      0.00000

 k-point    75 :       0.4667    0.2000    0.1333
  band No.  band energies     occupation 
      1      -9.2139      2.00000
      2      -8.6148      2.00000
      3      -4.3810      2.00000
      4      -4.1402      2.00000
      5      -1.8749      2.00000
      6      -1.6461      2.00000
      7       1.7986      2.00000
      8       1.9817      2.00000
      9       2.3064      2.00000
     10       2.9104      2.00000
     11       3.9344      2.00000
     12       4.0474      2.00000
     13       5.4198      2.00000
     14       5.9970      2.00000
     15       6.1822      2.00000
     16       6.9984      2.00000
     17      15.9069      0.00000
     18      16.1066      0.00000
     19      18.1863      0.00000
     20      18.6750      0.00000
     21      19.9523      0.00000
     22      20.0740      0.00000
     23      20.5187      0.00000
     24      20.5195      0.00000
     25      20.8822      0.00000
     26      21.2517      0.00000
     27      21.5421      0.00000
     28      22.2074      0.00000
     29      23.1397      0.00000
     30      23.6875      0.00000
     31      24.0322      0.00000
     32      24.4197      0.00000
     33      28.0241      0.00000
     34      28.2412      0.00000
     35      30.7147      0.00000
     36      31.1010      0.00000
     37      31.5028      0.00000
     38      31.7909      0.00000
     39      33.3060      0.00000
     40      33.4187      0.00000

 k-point    76 :       0.2667    0.2667    0.1333
  band No.  band energies     occupation 
      1     -10.2643      2.00000
      2      -6.1439      2.00000
      3      -6.1439      2.00000
      4      -4.2082      2.00000
      5      -1.6883      2.00000
      6       0.1062      2.00000
      7       0.1062      2.00000
      8       1.4416      2.00000
      9       3.0402      2.00000
     10       3.0402      2.00000
     11       4.2226      2.00000
     12       4.4775      2.00000
     13       4.4775      2.00000
     14       4.7102      2.00000
     15       7.2973      2.00000
     16       8.6961      2.00000
     17      15.8083      0.00000
     18      16.1037      0.00000
     19      16.1037      0.00000
     20      17.0770      0.00000
     21      18.0593      0.00000
     22      18.1792      0.00000
     23      19.9444      0.00000
     24      19.9444      0.00000
     25      21.4460      0.00000
     26      22.5336      0.00000
     27      22.5336      0.00000
     28      23.5341      0.00000
     29      24.1772      0.00000
     30      24.2803      0.00000
     31      24.2803      0.00000
     32      24.5649      0.00000
     33      29.0393      0.00000
     34      30.7367      0.00000
     35      30.9191      0.00000
     36      30.9191      0.00000
     37      31.0086      0.00000
     38      32.9328      0.00000
     39      32.9328      0.00000
     40      33.1608      0.00000

 k-point    77 :       0.3333    0.2667    0.1333
  band No.  band energies     occupation 
      1      -9.8996      2.00000
      2      -6.9398      2.00000
      3      -5.8322      2.00000
      4      -4.1962      2.00000
      5      -1.9786      2.00000
      6      -0.4461      2.00000
      7       0.5758      2.00000
      8       1.5889      2.00000
      9       2.9001      2.00000
     10       3.5038      2.00000
     11       3.8057      2.00000
     12       4.4834      2.00000
     13       4.8731      2.00000
     14       5.0013      2.00000
     15       6.7450      2.00000
     16       8.4197      2.00000
     17      16.2177      0.00000
     18      16.2576      0.00000
     19      16.9723      0.00000
     20      17.1265      0.00000
     21      18.5007      0.00000
     22      18.6914      0.00000
     23      20.4663      0.00000
     24      20.6800      0.00000
     25      21.7972      0.00000
     26      21.8227      0.00000
     27      22.5109      0.00000
     28      22.8311      0.00000
     29      23.4304      0.00000
     30      24.0455      0.00000
     31      24.3210      0.00000
     32      24.3233      0.00000
     33      28.4138      0.00000
     34      30.0978      0.00000
     35      30.6675      0.00000
     36      30.9194      0.00000
     37      31.1413      0.00000
     38      32.5200      0.00000
     39      33.0155      0.00000
     40      33.5659      0.00000

 k-point    78 :       0.4000    0.2667    0.1333
  band No.  band energies     occupation 
      1      -9.4562      2.00000
      2      -7.6740      2.00000
      3      -5.4682      2.00000
      4      -4.3552      2.00000
      5      -2.0332      2.00000
      6      -0.9823      2.00000
      7       1.0680      2.00000
      8       1.8241      2.00000
      9       2.6869      2.00000
     10       2.8226      2.00000
     11       4.4625      2.00000
     12       4.5462      2.00000
     13       4.8852      2.00000
     14       5.7072      2.00000
     15       6.1722      2.00000
     16       7.9316      2.00000
     17      16.4336      0.00000
     18      16.8914      0.00000
     19      16.9975      0.00000
     20      17.9472      0.00000
     21      18.9666      0.00000
     22      19.5452      0.00000
     23      20.1073      0.00000
     24      20.7340      0.00000
     25      21.4278      0.00000
     26      21.6785      0.00000
     27      22.4054      0.00000
     28      22.5150      0.00000
     29      23.5514      0.00000
     30      23.5781      0.00000
     31      24.2503      0.00000
     32      24.3819      0.00000
     33      27.8535      0.00000
     34      29.1369      0.00000
     35      30.6166      0.00000
     36      31.1144      0.00000
     37      31.2417      0.00000
     38      32.0437      0.00000
     39      33.1168      0.00000
     40      33.8278      0.00000

 k-point    79 :       0.4667    0.2667    0.1333
  band No.  band energies     occupation 
      1      -8.9359      2.00000
      2      -8.3408      2.00000
      3      -5.0707      2.00000
      4      -4.6764      2.00000
      5      -1.8345      2.00000
      6      -1.4609      2.00000
      7       1.6028      2.00000
      8       2.1097      2.00000
      9       2.1875      2.00000
     10       2.4106      2.00000
     11       4.6644      2.00000
     12       4.7960      2.00000
     13       5.0414      2.00000
     14       5.6032      2.00000
     15       6.5037      2.00000
     16       7.2726      2.00000
     17      16.6238      0.00000
     18      16.8174      0.00000
     19      17.7453      0.00000
     20      18.4931      0.00000
     21      19.5359      0.00000
     22      19.6459      0.00000
     23      20.1715      0.00000
     24      20.4845      0.00000
     25      20.5538      0.00000
     26      21.4127      0.00000
     27      22.1626      0.00000
     28      22.8812      0.00000
     29      23.2423      0.00000
     30      23.7225      0.00000
     31      24.4413      0.00000
     32      24.4648      0.00000
     33      27.6809      0.00000
     34      28.2125      0.00000
     35      30.8669      0.00000
     36      31.1633      0.00000
     37      31.3185      0.00000
     38      31.5967      0.00000
     39      33.2546      0.00000
     40      33.4741      0.00000

 k-point    80 :       0.3333    0.3333    0.1333
  band No.  band energies     occupation 
      1      -9.5371      2.00000
      2      -6.6104      2.00000
      3      -6.6104      2.00000
      4      -4.4272      2.00000
      5      -2.0904      2.00000
      6      -0.0420      2.00000
      7      -0.0420      2.00000
      8       1.8127      2.00000
      9       2.7897      2.00000
     10       3.5295      2.00000
     11       3.5295      2.00000
     12       5.1545      2.00000
     13       5.1545      2.00000
     14       5.2531      2.00000
     15       6.2254      2.00000
     16       8.3008      2.00000
     17      16.3701      0.00000
     18      17.1291      0.00000
     19      17.1291      0.00000
     20      17.6091      0.00000
     21      18.5230      0.00000
     22      18.9285      0.00000
     23      20.4381      0.00000
     24      20.4381      0.00000
     25      21.8220      0.00000
     26      21.8220      0.00000
     27      22.3825      0.00000
     28      23.4736      0.00000
     29      23.5236      0.00000
     30      23.5236      0.00000
     31      23.9746      0.00000
     32      24.1840      0.00000
     33      27.9755      0.00000
     34      30.4317      0.00000
     35      30.4317      0.00000
     36      30.5767      0.00000
     37      30.9682      0.00000
     38      32.6328      0.00000
     39      32.6328      0.00000
     40      33.5343      0.00000

 k-point    81 :       0.4000    0.3333    0.1333
  band No.  band energies     occupation 
      1      -9.0969      2.00000
      2      -7.3329      2.00000
      3      -6.2186      2.00000
      4      -4.8247      2.00000
      5      -1.9436      2.00000
      6      -0.6296      2.00000
      7       0.4118      2.00000
      8       2.1061      2.00000
      9       2.1158      2.00000
     10       3.1877      2.00000
     11       4.0797      2.00000
     12       5.3109      2.00000
     13       5.4578      2.00000
     14       5.6801      2.00000
     15       5.9390      2.00000
     16       7.9613      2.00000
     17      16.8080      0.00000
     18      17.3019      0.00000
     19      17.7281      0.00000
     20      18.0739      0.00000
     21      18.6919      0.00000
     22      19.5746      0.00000
     23      19.5792      0.00000
     24      19.9311      0.00000
     25      21.5905      0.00000
     26      22.0542      0.00000
     27      22.5997      0.00000
     28      22.7932      0.00000
     29      23.3823      0.00000
     30      23.7695      0.00000
     31      24.0169      0.00000
     32      24.6140      0.00000
     33      27.6930      0.00000
     34      29.5535      0.00000
     35      30.5893      0.00000
     36      30.7068      0.00000
     37      31.0345      0.00000
     38      32.1231      0.00000
     39      32.7467      0.00000
     40      33.6022      0.00000

 k-point    82 :       0.4667    0.3333    0.1333
  band No.  band energies     occupation 
      1      -8.5808      2.00000
      2      -7.9915      2.00000
      3      -5.7745      2.00000
      4      -5.2975      2.00000
      5      -1.6126      2.00000
      6      -1.1619      2.00000
      7       0.9226      2.00000
      8       1.4916      2.00000
      9       2.4478      2.00000
     10       2.8168      2.00000
     11       4.6051      2.00000
     12       5.1365      2.00000
     13       5.4418      2.00000
     14       5.5064      2.00000
     15       6.7239      2.00000
     16       7.4200      2.00000
     17      17.4779      0.00000
     18      17.4823      0.00000
     19      17.6361      0.00000
     20      18.2482      0.00000
     21      19.0007      0.00000
     22      19.4254      0.00000
     23      19.5331      0.00000
     24      20.4695      0.00000
     25      20.5539      0.00000
     26      21.4137      0.00000
     27      23.0252      0.00000
     28      23.0486      0.00000
     29      23.2331      0.00000
     30      23.5750      0.00000
     31      24.3259      0.00000
     32      24.8115      0.00000
     33      27.8790      0.00000
     34      28.6248      0.00000
     35      30.8199      0.00000
     36      30.8655      0.00000
     37      31.1433      0.00000
     38      31.5608      0.00000
     39      32.8821      0.00000
     40      33.1263      0.00000

 k-point    83 :       0.4000    0.4000    0.1333
  band No.  band energies     occupation 
      1      -8.6610      2.00000
      2      -6.9232      2.00000
      3      -6.9232      2.00000
      4      -5.3731      2.00000
      5      -1.6671      2.00000
      6      -0.2072      2.00000
      7      -0.2072      2.00000
      8       1.4508      2.00000
      9       2.4428      2.00000
     10       3.6617      2.00000
     11       3.6617      2.00000
     12       5.1615      2.00000
     13       5.8690      2.00000
     14       6.1001      2.00000
     15       6.1001      2.00000
     16       7.7853      2.00000
     17      16.9940      0.00000
     18      18.2026      0.00000
     19      18.2026      0.00000
     20      18.2998      0.00000
     21      18.5201      0.00000
     22      19.1346      0.00000
     23      19.1346      0.00000
     24      19.8561      0.00000
     25      21.2277      0.00000
     26      22.2844      0.00000
     27      22.2844      0.00000
     28      22.8180      0.00000
     29      23.5681      0.00000
     30      23.5681      0.00000
     31      24.2334      0.00000
     32      25.0569      0.00000
     33      27.9041      0.00000
     34      30.0095      0.00000
     35      30.0095      0.00000
     36      30.5948      0.00000
     37      30.9262      0.00000
     38      32.1728      0.00000
     39      32.1728      0.00000
     40      32.9561      0.00000

 k-point    84 :       0.4667    0.4000    0.1333
  band No.  band energies     occupation 
      1      -8.1508      2.00000
      2      -7.5698      2.00000
      3      -6.4513      2.00000
      4      -5.9281      2.00000
      5      -1.2652      2.00000
      6      -0.7717      2.00000
      7       0.2830      2.00000
      8       0.8374      2.00000
      9       2.8237      2.00000
     10       3.2358      2.00000
     11       4.1435      2.00000
     12       4.6445      2.00000
     13       6.0997      2.00000
     14       6.1654      2.00000
     15       6.8188      2.00000
     16       7.3968      2.00000
     17      17.4374      0.00000
     18      18.0665      0.00000
     19      18.3128      0.00000
     20      18.3880      0.00000
     21      18.6195      0.00000
     22      18.8212      0.00000
     23      19.5002      0.00000
     24      20.4650      0.00000
     25      20.5343      0.00000
     26      21.4301      0.00000
     27      22.3719      0.00000
     28      22.5013      0.00000
     29      23.8603      0.00000
     30      24.1527      0.00000
     31      24.4012      0.00000
     32      24.9719      0.00000
     33      28.4737      0.00000
     34      29.2326      0.00000
     35      30.4033      0.00000
     36      30.6770      0.00000
     37      30.9519      0.00000
     38      31.5068      0.00000
     39      32.2315      0.00000
     40      32.4517      0.00000

 k-point    85 :       0.4667    0.4667    0.1333
  band No.  band energies     occupation 
      1      -7.6490      2.00000
      2      -7.0801      2.00000
      3      -7.0801      2.00000
      4      -6.5291      2.00000
      5      -0.8229      2.00000
      6      -0.3027      2.00000
      7      -0.3027      2.00000
      8       0.2363      2.00000
      9       3.2372      2.00000
     10       3.6814      2.00000
     11       3.6814      2.00000
     12       4.1538      2.00000
     13       6.5246      2.00000
     14       6.7609      2.00000
     15       6.7609      2.00000
     16       7.1787      2.00000
     17      17.6286      0.00000
     18      18.0338      0.00000
     19      18.0338      0.00000
     20      18.1815      0.00000
     21      19.1471      0.00000
     22      19.4297      0.00000
     23      19.4297      0.00000
     24      20.1336      0.00000
     25      20.8414      0.00000
     26      21.5254      0.00000
     27      21.5254      0.00000
     28      21.8477      0.00000
     29      24.4797      0.00000
     30      24.5240      0.00000
     31      24.5240      0.00000
     32      24.8988      0.00000
     33      29.1862      0.00000
     34      29.8477      0.00000
     35      29.8477      0.00000
     36      30.3671      0.00000
     37      31.0279      0.00000
     38      31.5231      0.00000
     39      31.5231      0.00000
     40      31.8304      0.00000

 k-point    86 :       0.2000    0.2000    0.2000
  band No.  band energies     occupation 
      1     -10.6307      2.00000
      2      -5.3653      2.00000
      3      -5.3653      2.00000
      4      -5.3653      2.00000
      5      -0.4282      2.00000
      6      -0.4282      2.00000
      7      -0.4282      2.00000
      8       2.2800      2.00000
      9       2.2800      2.00000
     10       2.2800      2.00000
     11       4.4503      2.00000
     12       4.4503      2.00000
     13       4.4503      2.00000
     14       4.9457      2.00000
     15       8.5234      2.00000
     16       8.5234      2.00000
     17      15.4418      0.00000
     18      15.4418      0.00000
     19      15.4418      0.00000
     20      17.2060      0.00000
     21      17.2060      0.00000
     22      17.6689      0.00000
     23      19.4648      0.00000
     24      19.4648      0.00000
     25      19.4648      0.00000
     26      24.0199      0.00000
     27      24.0199      0.00000
     28      24.0199      0.00000
     29      24.2516      0.00000
     30      24.4975      0.00000
     31      24.4975      0.00000
     32      24.4975      0.00000
     33      30.4829      0.00000
     34      30.7651      0.00000
     35      30.7651      0.00000
     36      30.7651      0.00000
     37      32.4261      0.00000
     38      32.4261      0.00000
     39      33.5271      0.00000
     40      33.5271      0.00000

 k-point    87 :       0.2667    0.2000    0.2000
  band No.  band energies     occupation 
      1     -10.3456      2.00000
      2      -6.2170      2.00000
      3      -5.1500      2.00000
      4      -5.1500      2.00000
      5      -0.9292      2.00000
      6      -0.9292      2.00000
      7       0.0555      2.00000
      8       2.2749      2.00000
      9       2.2749      2.00000
     10       3.1691      2.00000
     11       4.1908      2.00000
     12       4.5640      2.00000
     13       4.5640      2.00000
     14       4.7064      2.00000
     15       8.0019      2.00000
     16       8.4828      2.00000
     17      15.5944      0.00000
     18      15.8338      0.00000
     19      15.8338      0.00000
     20      17.0719      0.00000
     21      17.8353      0.00000
     22      17.9951      0.00000
     23      19.9040      0.00000
     24      20.5542      0.00000
     25      20.5542      0.00000
     26      23.2465      0.00000
     27      23.2465      0.00000
     28      23.3142      0.00000
     29      23.6509      0.00000
     30      24.3242      0.00000
     31      24.3601      0.00000
     32      24.3601      0.00000
     33      30.1406      0.00000
     34      30.1406      0.00000
     35      30.6332      0.00000
     36      31.1001      0.00000
     37      31.5362      0.00000
     38      33.1316      0.00000
     39      33.1403      0.00000
     40      33.6856      0.00000

 k-point    88 :       0.3333    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.9805      2.00000
      2      -7.0152      2.00000
      3      -4.8995      2.00000
      4      -4.8995      2.00000
      5      -1.4434      2.00000
      6      -1.4434      2.00000
      7       0.5217      2.00000
      8       2.3579      2.00000
      9       2.3579      2.00000
     10       3.4633      2.00000
     11       4.1421      2.00000
     12       4.5512      2.00000
     13       4.5512      2.00000
     14       5.0307      2.00000
     15       7.4473      2.00000
     16       8.1777      2.00000
     17      15.7790      0.00000
     18      16.4892      0.00000
     19      16.4892      0.00000
     20      16.8873      0.00000
     21      18.5238      0.00000
     22      18.5411      0.00000
     23      20.4714      0.00000
     24      21.5304      0.00000
     25      21.5304      0.00000
     26      22.3653      0.00000
     27      22.3653      0.00000
     28      22.5359      0.00000
     29      22.7496      0.00000
     30      24.1028      0.00000
     31      24.3434      0.00000
     32      24.3434      0.00000
     33      29.3962      0.00000
     34      29.3962      0.00000
     35      30.8033      0.00000
     36      30.9956      0.00000
     37      31.3163      0.00000
     38      32.6848      0.00000
     39      33.7184      0.00000
     40      33.7184      0.00000

 k-point    89 :       0.4000    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.5366      2.00000
      2      -7.7511      2.00000
      3      -4.6521      2.00000
      4      -4.6521      2.00000
      5      -1.8868      2.00000
      6      -1.8868      2.00000
      7       1.0130      2.00000
      8       2.4680      2.00000
      9       2.4680      2.00000
     10       2.7757      2.00000
     11       4.4724      2.00000
     12       4.4724      2.00000
     13       5.1259      2.00000
     14       5.4185      2.00000
     15       6.8918      2.00000
     16       7.6408      2.00000
     17      15.9882      0.00000
     18      16.6738      0.00000
     19      17.3420      0.00000
     20      17.3420      0.00000
     21      19.2168      0.00000
     22      19.2979      0.00000
     23      20.9390      0.00000
     24      20.9390      0.00000
     25      21.1588      0.00000
     26      21.7233      0.00000
     27      21.8272      0.00000
     28      22.9024      0.00000
     29      22.9024      0.00000
     30      23.5462      0.00000
     31      24.3402      0.00000
     32      24.3402      0.00000
     33      28.5888      0.00000
     34      28.5888      0.00000
     35      30.8145      0.00000
     36      31.1094      0.00000
     37      31.3802      0.00000
     38      32.1939      0.00000
     39      33.6850      0.00000
     40      33.6850      0.00000

 k-point    90 :       0.4667    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.0155      2.00000
      2      -8.4193      2.00000
      3      -4.4824      2.00000
      4      -4.4824      2.00000
      5      -2.1596      2.00000
      6      -2.1596      2.00000
      7       1.5488      2.00000
      8       2.1362      2.00000
      9       2.5460      2.00000
     10       2.5460      2.00000
     11       4.4040      2.00000
     12       4.4040      2.00000
     13       5.8640      2.00000
     14       6.0670      2.00000
     15       6.3588      2.00000
     16       6.9207      2.00000
     17      16.2134      0.00000
     18      16.4453      0.00000
     19      18.2267      0.00000
     20      18.2267      0.00000
     21      19.9507      0.00000
     22      19.9507      0.00000
     23      20.0266      0.00000
     24      20.0890      0.00000
     25      20.9018      0.00000
     26      20.9081      0.00000
     27      21.9460      0.00000
     28      22.7754      0.00000
     29      23.6159      0.00000
     30      23.6159      0.00000
     31      24.3360      0.00000
     32      24.3360      0.00000
     33      27.9703      0.00000
     34      27.9703      0.00000
     35      31.0218      0.00000
     36      31.2758      0.00000
     37      31.3766      0.00000
     38      31.7295      0.00000
     39      33.6520      0.00000
     40      33.6520      0.00000

 k-point    91 :       0.2667    0.2667    0.2000
  band No.  band energies     occupation 
      1     -10.0617      2.00000
      2      -5.9768      2.00000
      3      -5.9768      2.00000
      4      -4.9689      2.00000
      5      -1.5066      2.00000
      6      -0.5642      2.00000
      7      -0.5642      2.00000
      8       2.3915      2.00000
      9       3.2269      2.00000
     10       3.2270      2.00000
     11       3.4283      2.00000
     12       4.8323      2.00000
     13       4.8323      2.00000
     14       4.8809      2.00000
     15       7.7439      2.00000
     16       8.3701      2.00000
     17      15.9592      0.00000
     18      16.0104      0.00000
     19      16.0104      0.00000
     20      17.4004      0.00000
     21      17.9408      0.00000
     22      18.1447      0.00000
     23      20.9212      0.00000
     24      20.9212      0.00000
     25      21.6709      0.00000
     26      22.5206      0.00000
     27      22.5206      0.00000
     28      22.9799      0.00000
     29      23.5729      0.00000
     30      23.5729      0.00000
     31      23.7549      0.00000
     32      24.5127      0.00000
     33      29.6355      0.00000
     34      30.5705      0.00000
     35      30.5705      0.00000
     36      30.7121      0.00000
     37      31.6050      0.00000
     38      32.9572      0.00000
     39      33.3366      0.00000
     40      33.3366      0.00000

 k-point    92 :       0.3333    0.2667    0.2000
  band No.  band energies     occupation 
      1      -9.6983      2.00000
      2      -6.7598      2.00000
      3      -5.6819      2.00000
      4      -4.7905      2.00000
      5      -2.0177      2.00000
      6      -1.1725      2.00000
      7      -0.1639      2.00000
      8       2.5733      2.00000
      9       2.6979      2.00000
     10       3.2783      2.00000
     11       4.1860      2.00000
     12       4.8739      2.00000
     13       5.0434      2.00000
     14       5.1932      2.00000
     15       7.2664      2.00000
     16       8.1689      2.00000
     17      16.2215      0.00000
     18      16.3716      0.00000
     19      16.6693      0.00000
     20      17.3537      0.00000
     21      18.4380      0.00000
     22      18.5067      0.00000
     23      21.2780      0.00000
     24      21.3376      0.00000
     25      21.8178      0.00000
     26      22.1145      0.00000
     27      22.1903      0.00000
     28      22.7195      0.00000
     29      22.7813      0.00000
     30      23.6202      0.00000
     31      23.6500      0.00000
     32      24.4485      0.00000
     33      29.0601      0.00000
     34      29.8762      0.00000
     35      30.8453      0.00000
     36      30.9002      0.00000
     37      31.2380      0.00000
     38      32.9012      0.00000
     39      33.4736      0.00000
     40      33.5708      0.00000

 k-point    93 :       0.4000    0.2667    0.2000
  band No.  band energies     occupation 
      1      -9.2568      2.00000
      2      -7.4860      2.00000
      3      -5.3507      2.00000
      4      -4.6924      2.00000
      5      -2.3530      2.00000
      6      -1.7220      2.00000
      7       0.2900      2.00000
      8       2.0119      2.00000
      9       2.7886      2.00000
     10       3.2732      2.00000
     11       4.8931      2.00000
     12       5.0381      2.00000
     13       5.0714      2.00000
     14       5.6989      2.00000
     15       6.7474      2.00000
     16       7.7459      2.00000
     17      16.4559      0.00000
     18      17.0340      0.00000
     19      17.1694      0.00000
     20      17.5029      0.00000
     21      18.9390      0.00000
     22      19.2111      0.00000
     23      20.3006      0.00000
     24      20.9352      0.00000
     25      21.0569      0.00000
     26      21.7278      0.00000
     27      22.1477      0.00000
     28      22.9458      0.00000
     29      23.3019      0.00000
     30      23.9279      0.00000
     31      24.0630      0.00000
     32      24.0849      0.00000
     33      28.4324      0.00000
     34      29.0549      0.00000
     35      31.0199      0.00000
     36      31.0929      0.00000
     37      31.1222      0.00000
     38      32.4060      0.00000
     39      33.5792      0.00000
     40      34.0262      0.00000

 k-point    94 :       0.4667    0.2667    0.2000
  band No.  band energies     occupation 
      1      -8.7390      2.00000
      2      -8.1476      2.00000
      3      -5.0215      2.00000
      4      -4.7701      2.00000
      5      -2.4016      2.00000
      6      -2.1592      2.00000
      7       0.8039      2.00000
      8       1.3788      2.00000
      9       3.0040      2.00000
     10       3.1785      2.00000
     11       4.9414      2.00000
     12       5.0169      2.00000
     13       5.6823      2.00000
     14       6.2220      2.00000
     15       6.3974      2.00000
     16       7.1303      2.00000
     17      16.7012      0.00000
     18      16.9440      0.00000
     19      17.8416      0.00000
     20      18.2410      0.00000
     21      19.5011      0.00000
     22      19.5394      0.00000
     23      19.9935      0.00000
     24      20.0223      0.00000
     25      20.2178      0.00000
     26      20.8869      0.00000
     27      22.7514      0.00000
     28      23.2594      0.00000
     29      23.3334      0.00000
     30      23.4457      0.00000
     31      24.5001      0.00000
     32      24.6644      0.00000
     33      28.0243      0.00000
     34      28.2935      0.00000
     35      31.1010      0.00000
     36      31.1470      0.00000
     37      31.4248      0.00000
     38      31.8911      0.00000
     39      33.6894      0.00000
     40      33.8382      0.00000

 k-point    95 :       0.3333    0.3333    0.2000
  band No.  band energies     occupation 
      1      -9.3374      2.00000
      2      -6.4397      2.00000
      3      -6.4397      2.00000
      4      -4.7628      2.00000
      5      -2.4202      2.00000
      6      -0.8237      2.00000
      7      -0.8237      2.00000
      8       1.9677      2.00000
      9       2.8261      2.00000
     10       4.1159      2.00000
     11       4.1159      2.00000
     12       5.3425      2.00000
     13       5.3425      2.00000
     14       5.4019      2.00000
     15       6.8528      2.00000
     16       8.0980      2.00000
     17      16.5292      0.00000
     18      16.8836      0.00000
     19      16.8836      0.00000
     20      17.7268      0.00000
     21      18.4687      0.00000
     22      18.6594      0.00000
     23      20.6764      0.00000
     24      20.6764      0.00000
     25      21.8683      0.00000
     26      22.3199      0.00000
     27      22.3199      0.00000
     28      22.8773      0.00000
     29      22.9856      0.00000
     30      22.9856      0.00000
     31      23.8495      0.00000
     32      24.6135      0.00000
     33      28.7497      0.00000
     34      30.3149      0.00000
     35      30.3149      0.00000
     36      30.8969      0.00000
     37      31.2497      0.00000
     38      33.0960      0.00000
     39      33.0960      0.00000
     40      33.6069      0.00000

 k-point    96 :       0.4000    0.3333    0.2000
  band No.  band energies     occupation 
      1      -8.8993      2.00000
      2      -7.1505      2.00000
      3      -6.0647      2.00000
      4      -4.9150      2.00000
      5      -2.5315      2.00000
      6      -1.4289      2.00000
      7      -0.4001      2.00000
      8       1.2849      2.00000
      9       3.1082      2.00000
     10       3.9418      2.00000
     11       4.7961      2.00000
     12       5.4824      2.00000
     13       5.5996      2.00000
     14       5.9760      2.00000
     15       6.3728      2.00000
     16       7.8173      2.00000
     17      16.9595      0.00000
     18      17.1189      0.00000
     19      17.6924      0.00000
     20      17.7471      0.00000
     21      18.6840      0.00000
     22      19.1978      0.00000
     23      19.7220      0.00000
     24      20.0577      0.00000
     25      21.0551      0.00000
     26      21.7361      0.00000
     27      22.5332      0.00000
     28      22.6536      0.00000
     29      23.1226      0.00000
     30      23.8308      0.00000
     31      24.4922      0.00000
     32      24.6903      0.00000
     33      28.4637      0.00000
     34      29.5989      0.00000
     35      30.6488      0.00000
     36      30.9611      0.00000
     37      31.2668      0.00000
     38      32.6160      0.00000
     39      33.2693      0.00000
     40      34.1116      0.00000

 k-point    97 :       0.4667    0.3333    0.2000
  band No.  band energies     occupation 
      1      -8.3864      2.00000
      2      -7.8019      2.00000
      3      -5.6534      2.00000
      4      -5.2445      2.00000
      5      -2.3435      2.00000
      6      -1.9501      2.00000
      7       0.0953      2.00000
      8       0.6587      2.00000
      9       3.4047      2.00000
     10       3.6928      2.00000
     11       5.3561      2.00000
     12       5.5973      2.00000
     13       5.6514      2.00000
     14       5.8717      2.00000
     15       6.6825      2.00000
     16       7.3275      2.00000
     17      17.3586      0.00000
     18      17.5811      0.00000
     19      17.6048      0.00000
     20      18.1928      0.00000
     21      19.0330      0.00000
     22      19.2457      0.00000
     23      19.4988      0.00000
     24      19.9827      0.00000
     25      20.0395      0.00000
     26      20.8568      0.00000
     27      22.5761      0.00000
     28      22.6003      0.00000
     29      23.6095      0.00000
     30      24.1133      0.00000
     31      24.6732      0.00000
     32      25.0527      0.00000
     33      28.4254      0.00000
     34      28.8782      0.00000
     35      30.8538      0.00000
     36      30.9470      0.00000
     37      31.5817      0.00000
     38      32.0807      0.00000
     39      33.4546      0.00000
     40      33.7274      0.00000

 k-point    98 :       0.4000    0.4000    0.2000
  band No.  band energies     occupation 
      1      -8.4662      2.00000
      2      -6.7503      2.00000
      3      -6.7503      2.00000
      4      -5.3190      2.00000
      5      -2.4074      2.00000
      6      -1.0370      2.00000
      7      -1.0370      2.00000
      8       0.6077      2.00000
      9       3.4431      2.00000
     10       4.4902      2.00000
     11       4.4902      2.00000
     12       5.9287      2.00000
     13       5.9851      2.00000
     14       6.1676      2.00000
     15       6.1676      2.00000
     16       7.6951      2.00000
     17      17.1424      0.00000
     18      17.8962      0.00000
     19      17.8962      0.00000
     20      18.2239      0.00000
     21      18.5318      0.00000
     22      19.2389      0.00000
     23      19.2389      0.00000
     24      19.3915      0.00000
     25      20.7747      0.00000
     26      21.7252      0.00000
     27      21.7252      0.00000
     28      22.0017      0.00000
     29      24.0793      0.00000
     30      24.0793      0.00000
     31      24.7050      0.00000
     32      25.1970      0.00000
     33      28.6584      0.00000
     34      30.1061      0.00000
     35      30.1061      0.00000
     36      30.9310      0.00000
     37      31.3342      0.00000
     38      32.7807      0.00000
     39      32.7807      0.00000
     40      33.7484      0.00000

 k-point    99 :       0.4667    0.4000    0.2000
  band No.  band energies     occupation 
      1      -7.9603      2.00000
      2      -7.3860      2.00000
      3      -6.2954      2.00000
      4      -5.8052      2.00000
      5      -2.0726      2.00000
      6      -1.6024      2.00000
      7      -0.5611      2.00000
      8      -0.0103      2.00000
      9       3.7933      2.00000
     10       4.1483      2.00000
     11       4.9835      2.00000
     12       5.4607      2.00000
     13       6.1998      2.00000
     14       6.2515      2.00000
     15       6.8249      2.00000
     16       7.3552      2.00000
     17      17.5670      0.00000
     18      18.0948      0.00000
     19      18.1161      0.00000
     20      18.2580      0.00000
     21      18.6299      0.00000
     22      18.8747      0.00000
     23      19.1645      0.00000
     24      19.9911      0.00000
     25      20.0253      0.00000
     26      20.8311      0.00000
     27      21.7194      0.00000
     28      21.7587      0.00000
     29      24.3983      0.00000
     30      24.6495      0.00000
     31      24.8602      0.00000
     32      25.2781      0.00000
     33      29.0217      0.00000
     34      29.5332      0.00000
     35      30.5121      0.00000
     36      30.7927      0.00000
     37      31.6389      0.00000
     38      32.1851      0.00000
     39      32.9395      0.00000
     40      33.2227      0.00000

 k-point   100 :       0.4667    0.4667    0.2000
  band No.  band energies     occupation 
      1      -7.4647      2.00000
      2      -6.9061      2.00000
      3      -6.9061      2.00000
      4      -6.3725      2.00000
      5      -1.6626      2.00000
      6      -1.1519      2.00000
      7      -1.1519      2.00000
      8      -0.6172      2.00000
      9       4.1879      2.00000
     10       4.5882      2.00000
     11       4.5882      2.00000
     12       5.0271      2.00000
     13       6.5933      2.00000
     14       6.8012      2.00000
     15       6.8012      2.00000
     16       7.1797      2.00000
     17      17.7486      0.00000
     18      18.1153      0.00000
     19      18.1153      0.00000
     20      18.2545      0.00000
     21      18.9087      0.00000
     22      19.1244      0.00000
     23      19.1244      0.00000
     24      19.7704      0.00000
     25      20.2150      0.00000
     26      20.8560      0.00000
     27      20.8560      0.00000
     28      21.0969      0.00000
     29      24.9448      0.00000
     30      24.9861      0.00000
     31      24.9861      0.00000
     32      25.2780      0.00000
     33      29.6296      0.00000
     34      30.1257      0.00000
     35      30.1257      0.00000
     36      30.5598      0.00000
     37      31.8137      0.00000
     38      32.2990      0.00000
     39      32.2990      0.00000
     40      32.6357      0.00000

 k-point   101 :       0.2667    0.2667    0.2667
  band No.  band energies     occupation 
      1      -9.7793      2.00000
      2      -5.7538      2.00000
      3      -5.7538      2.00000
      4      -5.7538      2.00000
      5      -1.2389      2.00000
      6      -1.2389      2.00000
      7      -1.2389      2.00000
      8       2.6531      2.00000
      9       3.4079      2.00000
     10       3.4079      2.00000
     11       3.4079      2.00000
     12       5.1160      2.00000
     13       5.1160      2.00000
     14       5.1160      2.00000
     15       7.9661      2.00000
     16       7.9661      2.00000
     17      16.1599      0.00000
     18      16.1599      0.00000
     19      16.1599      0.00000
     20      17.8210      0.00000
     21      17.8210      0.00000
     22      18.2002      0.00000
     23      21.9893      0.00000
     24      21.9893      0.00000
     25      21.9893      0.00000
     26      22.3193      0.00000
     27      22.3193      0.00000
     28      22.3194      0.00000
     29      22.8859      0.00000
     30      22.8859      0.00000
     31      22.8859      0.00000
     32      24.7714      0.00000
     33      30.1780      0.00000
     34      30.1780      0.00000
     35      30.1780      0.00000
     36      30.7367      0.00000
     37      32.4035      0.00000
     38      32.4035      0.00000
     39      33.6584      0.00000
     40      33.6584      0.00000

 k-point   102 :       0.3333    0.2667    0.2667
  band No.  band energies     occupation 
      1      -9.4178      2.00000
      2      -6.5140      2.00000
      3      -5.4930      2.00000
      4      -5.4930      2.00000
      5      -1.8599      2.00000
      6      -1.8599      2.00000
      7      -0.8909      2.00000
      8       1.9154      2.00000
      9       3.5820      2.00000
     10       3.5820      2.00000
     11       4.4270      2.00000
     12       5.2824      2.00000
     13       5.2824      2.00000
     14       5.4117      2.00000
     15       7.5178      2.00000
     16       7.9189      2.00000
     17      16.3999      0.00000
     18      16.5766      0.00000
     19      16.5766      0.00000
     20      17.6592      0.00000
     21      18.3216      0.00000
     22      18.4463      0.00000
     23      21.4591      0.00000
     24      21.4591      0.00000
     25      21.6088      0.00000
     26      21.9902      0.00000
     27      22.4131      0.00000
     28      22.6563      0.00000
     29      22.6563      0.00000
     30      23.1735      0.00000
     31      23.1735      0.00000
     32      24.8085      0.00000
     33      29.6841      0.00000
     34      29.6841      0.00000
     35      30.6061      0.00000
     36      30.8289      0.00000
     37      31.8639      0.00000
     38      33.2374      0.00000
     39      33.3688      0.00000
     40      33.8721      0.00000

 k-point   103 :       0.4000    0.2667    0.2667
  band No.  band energies     occupation 
      1      -8.9790      2.00000
      2      -7.2267      2.00000
      3      -5.2330      2.00000
      4      -5.2330      2.00000
      5      -2.3685      2.00000
      6      -2.3685      2.00000
      7      -0.4666      2.00000
      8       1.2272      2.00000
      9       3.7300      2.00000
     10       3.7300      2.00000
     11       5.3461      2.00000
     12       5.3461      2.00000
     13       5.4018      2.00000
     14       5.7621      2.00000
     15       7.0532      2.00000
     16       7.5987      2.00000
     17      16.6651      0.00000
     18      17.2235      0.00000
     19      17.2235      0.00000
     20      17.4508      0.00000
     21      18.8891      0.00000
     22      18.9011      0.00000
     23      20.4226      0.00000
     24      20.4226      0.00000
     25      20.8879      0.00000
     26      21.1187      0.00000
     27      22.6710      0.00000
     28      22.6710      0.00000
     29      22.9142      0.00000
     30      24.1709      0.00000
     31      24.1709      0.00000
     32      24.5519      0.00000
     33      29.0969      0.00000
     34      29.0969      0.00000
     35      30.8868      0.00000
     36      30.9620      0.00000
     37      31.6635      0.00000
     38      32.7668      0.00000
     39      33.9768      0.00000
     40      33.9768      0.00000

 k-point   104 :       0.4667    0.2667    0.2667
  band No.  band energies     occupation 
      1      -8.4652      2.00000
      2      -7.8795      2.00000
      3      -5.0528      2.00000
      4      -5.0528      2.00000
      5      -2.6753      2.00000
      6      -2.6753      2.00000
      7       0.0306      2.00000
      8       0.5968      2.00000
      9       3.8189      2.00000
     10       3.8189      2.00000
     11       5.3562      2.00000
     12       5.3562      2.00000
     13       6.1598      2.00000
     14       6.2882      2.00000
     15       6.5947      2.00000
     16       7.0380      2.00000
     17      16.9395      0.00000
     18      17.2066      0.00000
     19      17.9565      0.00000
     20      17.9565      0.00000
     21      19.4892      0.00000
     22      19.4892      0.00000
     23      19.5130      0.00000
     24      19.5306      0.00000
     25      20.1834      0.00000
     26      20.2853      0.00000
     27      22.6756      0.00000
     28      22.6756      0.00000
     29      23.4853      0.00000
     30      24.0665      0.00000
     31      24.8744      0.00000
     32      24.8744      0.00000
     33      28.6093      0.00000
     34      28.6093      0.00000
     35      31.0201      0.00000
     36      31.0376      0.00000
     37      31.8577      0.00000
     38      32.2808      0.00000
     39      34.0079      0.00000
     40      34.0079      0.00000

 k-point   105 :       0.3333    0.3333    0.2667
  band No.  band energies     occupation 
      1      -9.0593      2.00000
      2      -6.2116      2.00000
      3      -6.2116      2.00000
      4      -5.3041      2.00000
      5      -2.4400      2.00000
      6      -1.5683      2.00000
      7      -1.5683      2.00000
      8       1.1745      2.00000
      9       3.8500      2.00000
     10       4.5498      2.00000
     11       4.5498      2.00000
     12       5.5982      2.00000
     13       5.5982      2.00000
     14       5.6051      2.00000
     15       7.3059      2.00000
     16       7.8318      2.00000
     17      16.7408      0.00000
     18      16.8212      0.00000
     19      16.8212      0.00000
     20      17.9129      0.00000
     21      18.3324      0.00000
     22      18.5242      0.00000
     23      20.7818      0.00000
     24      20.7818      0.00000
     25      21.2685      0.00000
     26      21.8805      0.00000
     27      21.8805      0.00000
     28      22.0410      0.00000
     29      23.4274      0.00000
     30      23.4274      0.00000
     31      24.0054      0.00000
     32      24.9959      0.00000
     33      29.4779      0.00000
     34      30.2171      0.00000
     35      30.2171      0.00000
     36      30.8777      0.00000
     37      32.1331      0.00000
     38      33.5042      0.00000
     39      33.5122      0.00000
     40      33.5122      0.00000

 k-point   106 :       0.4000    0.3333    0.2667
  band No.  band energies     occupation 
      1      -8.6246      2.00000
      2      -6.9011      2.00000
      3      -5.8707      2.00000
      4      -5.1954      2.00000
      5      -2.8177      2.00000
      6      -2.1634      2.00000
      7      -1.1750      2.00000
      8       0.4867      2.00000
      9       4.0976      2.00000
     10       4.5664      2.00000
     11       5.3892      2.00000
     12       5.7356      2.00000
     13       5.7956      2.00000
     14       6.0270      2.00000
     15       6.9108      2.00000
     16       7.6281      2.00000
     17      17.0900      0.00000
     18      17.1602      0.00000
     19      17.4484      0.00000
     20      17.8339      0.00000
     21      18.6464      0.00000
     22      18.8700      0.00000
     23      19.8337      0.00000
     24      20.1329      0.00000
     25      20.4682      0.00000
     26      21.0440      0.00000
     27      21.8675      0.00000
     28      21.8747      0.00000
     29      23.8082      0.00000
     30      24.3745      0.00000
     31      24.8017      0.00000
     32      24.9314      0.00000
     33      29.2463      0.00000
     34      29.7438      0.00000
     35      30.6156      0.00000
     36      30.9614      0.00000
     37      32.0773      0.00000
     38      33.0887      0.00000
     39      33.7351      0.00000
     40      34.2766      0.00000

 k-point   107 :       0.4667    0.3333    0.2667
  band No.  band energies     occupation 
      1      -8.1168      2.00000
      2      -7.5400      2.00000
      3      -5.5303      2.00000
      4      -5.2707      2.00000
      5      -2.8819      2.00000
      6      -2.6292      2.00000
      7      -0.6954      2.00000
      8      -0.1391      2.00000
      9       4.3161      2.00000
     10       4.4819      2.00000
     11       5.8272      2.00000
     12       5.8586      2.00000
     13       6.0024      2.00000
     14       6.4762      2.00000
     15       6.6112      2.00000
     16       7.2007      2.00000
     17      17.3639      0.00000
     18      17.6210      0.00000
     19      17.7623      0.00000
     20      18.0641      0.00000
     21      19.0430      0.00000
     22      19.1132      0.00000
     23      19.4898      0.00000
     24      19.5355      0.00000
     25      19.5441      0.00000
     26      20.2331      0.00000
     27      21.8602      0.00000
     28      21.8691      0.00000
     29      24.2350      0.00000
     30      24.6428      0.00000
     31      25.0625      0.00000
     32      25.2326      0.00000
     33      29.1194      0.00000
     34      29.3048      0.00000
     35      30.8642      0.00000
     36      30.9751      0.00000
     37      32.2485      0.00000
     38      32.6381      0.00000
     39      33.9355      0.00000
     40      34.1416      0.00000

 k-point   108 :       0.4000    0.4000    0.2667
  band No.  band energies     occupation 
      1      -8.1960      2.00000
      2      -6.5187      2.00000
      3      -6.5187      2.00000
      4      -5.3436      2.00000
      5      -2.9524      2.00000
      6      -1.8140      2.00000
      7      -1.8140      2.00000
      8      -0.1975      2.00000
      9       4.4228      2.00000
     10       5.2264      2.00000
     11       5.2264      2.00000
     12       6.1411      2.00000
     13       6.2562      2.00000
     14       6.2562      2.00000
     15       6.5706      2.00000
     16       7.5676      2.00000
     17      17.3371      0.00000
     18      17.6928      0.00000
     19      17.6928      0.00000
     20      18.1805      0.00000
     21      18.5186      0.00000
     22      18.9921      0.00000
     23      19.3276      0.00000
     24      19.3276      0.00000
     25      20.2592      0.00000
     26      21.0307      0.00000
     27      21.0307      0.00000
     28      21.1958      0.00000
     29      24.6271      0.00000
     30      24.6271      0.00000
     31      25.1106      0.00000
     32      25.2892      0.00000
     33      29.4593      0.00000
     34      30.2984      0.00000
     35      30.2984      0.00000
     36      30.9977      0.00000
     37      32.2824      0.00000
     38      33.3702      0.00000
     39      33.3702      0.00000
     40      34.3065      0.00000

 k-point   109 :       0.4667    0.4000    0.2667
  band No.  band energies     occupation 
      1      -7.6972      2.00000
      2      -7.1345      2.00000
      3      -6.0983      2.00000
      4      -5.6794      2.00000
      5      -2.7653      2.00000
      6      -2.3584      2.00000
      7      -1.3584      2.00000
      8      -0.8157      2.00000
      9       4.7237      2.00000
     10       4.9966      2.00000
     11       5.7357      2.00000
     12       6.1729      2.00000
     13       6.3335      2.00000
     14       6.3665      2.00000
     15       6.8222      2.00000
     16       7.2906      2.00000
     17      17.7337      0.00000
     18      17.9351      0.00000
     19      18.1364      0.00000
     20      18.1431      0.00000
     21      18.6537      0.00000
     22      18.9113      0.00000
     23      18.9310      0.00000
     24      19.4754      0.00000
     25      19.5590      0.00000
     26      20.2061      0.00000
     27      21.0110      0.00000
     28      21.0120      0.00000
     29      24.8822      0.00000
     30      25.0728      0.00000
     31      25.2238      0.00000
     32      25.4594      0.00000
     33      29.7025      0.00000
     34      29.9812      0.00000
     35      30.7101      0.00000
     36      30.9460      0.00000
     37      32.5239      0.00000
     38      32.9303      0.00000
     39      33.6546      0.00000
     40      34.0399      0.00000

 k-point   110 :       0.4667    0.4667    0.2667
  band No.  band energies     occupation 
      1      -7.2124      2.00000
      2      -6.6729      2.00000
      3      -6.6729      2.00000
      4      -6.1743      2.00000
      5      -2.4251      2.00000
      6      -1.9425      2.00000
      7      -1.9425      2.00000
      8      -1.4213      2.00000
      9       5.0888      2.00000
     10       5.4272      2.00000
     11       5.4272      2.00000
     12       5.8166      2.00000
     13       6.6811      2.00000
     14       6.8484      2.00000
     15       6.8484      2.00000
     16       7.1731      2.00000
     17      17.8993      0.00000
     18      18.2006      0.00000
     19      18.2006      0.00000
     20      18.3335      0.00000
     21      18.6666      0.00000
     22      18.8352      0.00000
     23      18.8352      0.00000
     24      19.3715      0.00000
     25      19.6329      0.00000
     26      20.2012      0.00000
     27      20.2012      0.00000
     28      20.3798      0.00000
     29      25.2945      0.00000
     30      25.3225      0.00000
     31      25.3225      0.00000
     32      25.5068      0.00000
     33      30.2063      0.00000
     34      30.5272      0.00000
     35      30.5272      0.00000
     36      30.8478      0.00000
     37      32.7957      0.00000
     38      33.2127      0.00000
     39      33.2127      0.00000
     40      33.6125      0.00000

 k-point   111 :       0.3333    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.7042      2.00000
      2      -5.9436      2.00000
      3      -5.9436      2.00000
      4      -5.9436      2.00000
      5      -2.2358      2.00000
      6      -2.2358      2.00000
      7      -2.2358      2.00000
      8       0.4277      2.00000
      9       4.8374      2.00000
     10       4.8374      2.00000
     11       4.8374      2.00000
     12       5.8575      2.00000
     13       5.8575      2.00000
     14       5.8575      2.00000
     15       7.5189      2.00000
     16       7.5189      2.00000
     17      16.9926      0.00000
     18      16.9926      0.00000
     19      16.9926      0.00000
     20      18.1777      0.00000
     21      18.1777      0.00000
     22      18.5340      0.00000
     23      20.6420      0.00000
     24      20.6420      0.00000
     25      20.6420      0.00000
     26      21.2032      0.00000
     27      21.2032      0.00000
     28      21.2032      0.00000
     29      24.2349      0.00000
     30      24.2349      0.00000
     31      24.2349      0.00000
     32      25.2237      0.00000
     33      30.1062      0.00000
     34      30.1062      0.00000
     35      30.1062      0.00000
     36      30.9353      0.00000
     37      33.1750      0.00000
     38      33.1750      0.00000
     39      33.8415      0.00000
     40      33.8415      0.00000

 k-point   112 :       0.4000    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.2749      2.00000
      2      -6.5935      2.00000
      3      -5.6744      2.00000
      4      -5.6744      2.00000
      5      -2.7761      2.00000
      6      -2.7761      2.00000
      7      -1.8857      2.00000
      8      -0.2614      2.00000
      9       5.0193      2.00000
     10       5.0193      2.00000
     11       5.7435      2.00000
     12       6.0473      2.00000
     13       6.0473      2.00000
     14       6.1516      2.00000
     15       7.1772      2.00000
     16       7.4520      2.00000
     17      17.2672      0.00000
     18      17.3967      0.00000
     19      17.3967      0.00000
     20      18.0110      0.00000
     21      18.5259      0.00000
     22      18.7207      0.00000
     23      19.8956      0.00000
     24      19.8956      0.00000
     25      20.0302      0.00000
     26      20.4097      0.00000
     27      21.0726      0.00000
     28      21.0726      0.00000
     29      24.5118      0.00000
     30      24.9411      0.00000
     31      24.9411      0.00000
     32      25.2426      0.00000
     33      29.9688      0.00000
     34      29.9688      0.00000
     35      30.5927      0.00000
     36      31.0318      0.00000
     37      32.9007      0.00000
     38      33.4918      0.00000
     39      34.0751      0.00000
     40      34.0751      0.00000

 k-point   113 :       0.4667    0.3333    0.3333
  band No.  band energies     occupation 
      1      -7.7750      2.00000
      2      -7.2109      2.00000
      3      -5.4863      2.00000
      4      -5.4863      2.00000
      5      -3.1012      2.00000
      6      -3.1012      2.00000
      7      -1.4284      2.00000
      8      -0.8831      2.00000
      9       5.1113      2.00000
     10       5.1113      2.00000
     11       6.1408      2.00000
     12       6.1408      2.00000
     13       6.4780      2.00000
     14       6.5184      2.00000
     15       6.8247      2.00000
     16       7.1061      2.00000
     17      17.5433      0.00000
     18      17.7978      0.00000
     19      17.9378      0.00000
     20      17.9378      0.00000
     21      18.9563      0.00000
     22      19.1106      0.00000
     23      19.1106      0.00000
     24      19.1197      0.00000
     25      19.4619      0.00000
     26      19.6996      0.00000
     27      21.0733      0.00000
     28      21.0733      0.00000
     29      24.8094      0.00000
     30      25.0784      0.00000
     31      25.3672      0.00000
     32      25.3672      0.00000
     33      29.8552      0.00000
     34      29.8552      0.00000
     35      30.9111      0.00000
     36      31.0530      0.00000
     37      32.9044      0.00000
     38      33.1502      0.00000
     39      34.2020      0.00000
     40      34.2020      0.00000

 k-point   114 :       0.4000    0.4000    0.3333
  band No.  band energies     occupation 
      1      -7.8536      2.00000
      2      -6.2460      2.00000
      3      -6.2460      2.00000
      4      -5.5584      2.00000
      5      -3.1755      2.00000
      6      -2.5046      2.00000
      7      -2.5046      2.00000
      8      -0.9470      2.00000
      9       5.3340      2.00000
     10       5.7990      2.00000
     11       5.7991      2.00000
     12       6.3299      2.00000
     13       6.3729      2.00000
     14       6.3729      2.00000
     15       7.0182      2.00000
     16       7.4044      2.00000
     17      17.5628      0.00000
     18      17.6506      0.00000
     19      17.6506      0.00000
     20      18.2046      0.00000
     21      18.4400      0.00000
     22      18.7641      0.00000
     23      19.3826      0.00000
     24      19.3826      0.00000
     25      19.7406      0.00000
     26      20.3088      0.00000
     27      20.3088      0.00000
     28      20.4372      0.00000
     29      25.0983      0.00000
     30      25.0983      0.00000
     31      25.3631      0.00000
     32      25.3818      0.00000
     33      30.2176      0.00000
     34      30.5682      0.00000
     35      30.5682      0.00000
     36      31.1423      0.00000
     37      33.3671      0.00000
     38      33.8250      0.00000
     39      33.8250      0.00000
     40      34.2857      0.00000

 k-point   115 :       0.4667    0.4000    0.3333
  band No.  band energies     occupation 
      1      -7.3665      2.00000
      2      -6.8240      2.00000
      3      -5.8979      2.00000
      4      -5.6323      2.00000
      5      -3.2470      2.00000
      6      -2.9871      2.00000
      7      -2.0855      2.00000
      8      -1.5594      2.00000
      9       5.5605      2.00000
     10       5.7178      2.00000
     11       6.3432      2.00000
     12       6.4964      2.00000
     13       6.5097      2.00000
     14       6.7151      2.00000
     15       6.8017      2.00000
     16       7.2007      2.00000
     17      17.8980      0.00000
     18      17.9200      0.00000
     19      18.1069      0.00000
     20      18.1097      0.00000
     21      18.6453      0.00000
     22      18.8115      0.00000
     23      18.9616      0.00000
     24      19.0667      0.00000
     25      19.1337      0.00000
     26      19.6194      0.00000
     27      20.2965      0.00000
     28      20.2988      0.00000
     29      25.2527      0.00000
     30      25.3663      0.00000
     31      25.4659      0.00000
     32      25.5544      0.00000
     33      30.4147      0.00000
     34      30.5223      0.00000
     35      30.9841      0.00000
     36      31.1689      0.00000
     37      33.4536      0.00000
     38      33.5966      0.00000
     39      34.1131      0.00000
     40      34.3186      0.00000

 k-point   116 :       0.4667    0.4667    0.3333
  band No.  band energies     occupation 
      1      -6.9010      2.00000
      2      -6.3978      2.00000
      3      -6.3978      2.00000
      4      -5.9724      2.00000
      5      -3.0586      2.00000
      6      -2.6432      2.00000
      7      -2.6432      2.00000
      8      -2.1535      2.00000
      9       5.8856      2.00000
     10       6.1402      2.00000
     11       6.1402      2.00000
     12       6.4596      2.00000
     13       6.7801      2.00000
     14       6.8949      2.00000
     15       6.8949      2.00000
     16       7.1529      2.00000
     17      18.0608      0.00000
     18      18.2499      0.00000
     19      18.2499      0.00000
     20      18.3917      0.00000
     21      18.4711      0.00000
     22      18.6436      0.00000
     23      18.6436      0.00000
     24      18.9943      0.00000
     25      19.1689      0.00000
     26      19.6119      0.00000
     27      19.6119      0.00000
     28      19.7441      0.00000
     29      25.5016      0.00000
     30      25.5203      0.00000
     31      25.5203      0.00000
     32      25.6125      0.00000
     33      30.8319      0.00000
     34      31.0036      0.00000
     35      31.0036      0.00000
     36      31.2062      0.00000
     37      33.8777      0.00000
     38      34.0343      0.00000
     39      34.0343      0.00000
     40      34.4235      0.00000

 k-point   117 :       0.4000    0.4000    0.4000
  band No.  band energies     occupation 
      1      -7.4441      2.00000
      2      -5.9710      2.00000
      3      -5.9710      2.00000
      4      -5.9710      2.00000
      5      -3.0619      2.00000
      6      -3.0619      2.00000
      7      -3.0619      2.00000
      8      -1.6276      2.00000
      9       6.1253      2.00000
     10       6.1253      2.00000
     11       6.1253      2.00000
     12       6.5426      2.00000
     13       6.5426      2.00000
     14       6.5426      2.00000
     15       7.2108      2.00000
     16       7.2108      2.00000
     17      17.7982      0.00000
     18      17.7982      0.00000
     19      17.7982      0.00000
     20      18.3196      0.00000
     21      18.3196      0.00000
     22      18.7283      0.00000
     23      19.2621      0.00000
     24      19.2621      0.00000
     25      19.2621      0.00000
     26      19.7648      0.00000
     27      19.7648      0.00000
     28      19.7648      0.00000
     29      25.4299      0.00000
     30      25.4299      0.00000
     31      25.4299      0.00000
     32      25.5085      0.00000
     33      30.8524      0.00000
     34      30.8524      0.00000
     35      30.8524      0.00000
     36      31.3213      0.00000
     37      34.1086      0.00000
     38      34.1086      0.00000
     39      34.1086      0.00000
     40      34.4917      0.00000

 k-point   118 :       0.4667    0.4000    0.4000
  band No.  band energies     occupation 
      1      -6.9774      2.00000
      2      -6.4725      2.00000
      3      -5.7774      2.00000
      4      -5.7774      2.00000
      5      -3.3976      2.00000
      6      -3.3976      2.00000
      7      -2.7168      2.00000
      8      -2.2247      2.00000
      9       6.2363      2.00000
     10       6.2363      2.00000
     11       6.6910      2.00000
     12       6.6910      2.00000
     13       6.7386      2.00000
     14       6.7683      2.00000
     15       6.9951      2.00000
     16       7.1149      2.00000
     17      18.0165      0.00000
     18      18.1022      0.00000
     19      18.1022      0.00000
     20      18.1915      0.00000
     21      18.5363      0.00000
     22      18.7967      0.00000
     23      18.7967      0.00000
     24      18.8540      0.00000
     25      18.8711      0.00000
     26      19.2254      0.00000
     27      19.6555      0.00000
     28      19.6555      0.00000
     29      25.4897      0.00000
     30      25.5277      0.00000
     31      25.5976      0.00000
     32      25.5976      0.00000
     33      31.0430      0.00000
     34      31.0430      0.00000
     35      31.2733      0.00000
     36      31.4137      0.00000
     37      34.0511      0.00000
     38      34.1993      0.00000
     39      34.2480      0.00000
     40      34.2480      0.00000

 k-point   119 :       0.4667    0.4667    0.4000
  band No.  band energies     occupation 
      1      -6.5483      2.00000
      2      -6.1198      2.00000
      3      -6.1198      2.00000
      4      -5.8506      2.00000
      5      -3.4725      2.00000
      6      -3.2082      2.00000
      7      -3.2082      2.00000
      8      -2.7885      2.00000
      9       6.5184      2.00000
     10       6.6648      2.00000
     11       6.6648      2.00000
     12       6.8812      2.00000
     13       6.8909      2.00000
     14       6.9331      2.00000
     15       6.9331      2.00000
     16       7.1141      2.00000
     17      18.2053      0.00000
     18      18.2544      0.00000
     19      18.2544      0.00000
     20      18.3593      0.00000
     21      18.3952      0.00000
     22      18.5638      0.00000
     23      18.5638      0.00000
     24      18.6815      0.00000
     25      18.8915      0.00000
     26      19.1538      0.00000
     27      19.1538      0.00000
     28      19.2411      0.00000
     29      25.5945      0.00000
     30      25.6102      0.00000
     31      25.6102      0.00000
     32      25.6420      0.00000
     33      31.3914      0.00000
     34      31.4558      0.00000
     35      31.4558      0.00000
     36      31.5604      0.00000
     37      34.2608      0.00000
     38      34.2608      0.00000
     39      34.2796      0.00000
     40      34.4289      0.00000

 k-point   120 :       0.4667    0.4667    0.4667
  band No.  band energies     occupation 
      1      -6.1941      2.00000
      2      -5.9236      2.00000
      3      -5.9236      2.00000
      4      -5.9236      2.00000
      5      -3.5487      2.00000
      6      -3.5487      2.00000
      7      -3.5487      2.00000
      8      -3.2828      2.00000
      9       6.9247      2.00000
     10       6.9247      2.00000
     11       6.9247      2.00000
     12       6.9751      2.00000
     13       6.9751      2.00000
     14       6.9751      2.00000
     15       7.0545      2.00000
     16       7.0545      2.00000
     17      18.3025      0.00000
     18      18.3025      0.00000
     19      18.3025      0.00000
     20      18.3535      0.00000
     21      18.3535      0.00000
     22      18.4624      0.00000
     23      18.4624      0.00000
     24      18.4624      0.00000
     25      18.8184      0.00000
     26      18.9254      0.00000
     27      18.9254      0.00000
     28      18.9254      0.00000
     29      25.6261      0.00000
     30      25.6388      0.00000
     31      25.6388      0.00000
     32      25.6388      0.00000
     33      31.7448      0.00000
     34      31.7448      0.00000
     35      31.7448      0.00000
     36      31.7868      0.00000
     37      34.2242      0.00000
     38      34.2242      0.00000
     39      34.2242      0.00000
     40      34.3036      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
  9.425  12.516  -0.000  -0.000  -0.000   0.000   0.000   0.000
 12.516  16.619  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -3.655   0.000   0.000   7.158  -0.000  -0.000
 -0.000  -0.000   0.000  -3.655   0.000  -0.000   7.158  -0.000
 -0.000  -0.000   0.000   0.000  -3.655  -0.000  -0.000   7.158
  0.000   0.000   7.158  -0.000  -0.000 -16.115   0.000   0.000
  0.000   0.000  -0.000   7.158  -0.000   0.000 -16.115   0.000
  0.000   0.000  -0.000  -0.000   7.158   0.000   0.000 -16.115
 total augmentation occupancy for first ion, spin component:           1
  7.421  -3.275  -0.000   0.000  -0.000   0.000   0.000  -0.000
 -3.275   1.531  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.000  -0.000   1.583   0.000  -0.000   0.133  -0.000  -0.000
 -0.000  -0.000   0.000   1.583  -0.000   0.000   0.133   0.000
  0.000   0.000   0.000   0.000   1.583   0.000  -0.000   0.133
  0.000   0.000   0.133  -0.000  -0.000   0.013   0.000  -0.000
 -0.000  -0.000  -0.000   0.133   0.000   0.000   0.013  -0.000
 -0.000  -0.000   0.000  -0.000   0.133   0.000   0.000   0.013


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


    CHARGE:  cpu time    0.0399: real time    0.0400
    FORLOC:  cpu time    0.0006: real time    0.0006
    FORNL :  cpu time    0.2137: real time    0.2143
    STRESS:  cpu time    0.8973: real time    0.8999
    FORCOR:  cpu time    0.0051: real time    0.0051
    FORHAR:  cpu time    0.0015: real time    0.0015
    MIXING:  cpu time    0.0004: real time    0.0004
    OFIELD:  cpu time    0.0000: real time    0.0000

  Hirshfeld charges:
            ion         q(e)     
   ------------------------------
      1     C           0.000
      2     C          -0.000
      3     C          -0.000
      4     C          -0.000
      5     C           0.000
      6     C           0.000
      7     C           0.000
      8     C           0.000

  Atomic reference data used in the T-S method for vdW correction:
            C6at              R0at           ALPHAat      REFSTATE
            (au)              (au)            (au)                
   ---------------------------------------------------------------
   C          46.600          3.590         12.000         0

  Tkatchenko/Scheffler method for vdW energy calculation
  ---------------------------------------------------------------------------------------------

  Parameters of vdW forcefield:
            C6ts              R0ts           ALPHAts        RELVOL
            (au)              (au)            (au)                
   ---------------------------------------------------------------
   C          38.432          3.477         10.898          0.908
   C          38.432          3.477         10.898          0.908
   C          38.432          3.477         10.898          0.908
   C          38.432          3.477         10.898          0.908
   C          38.432          3.477         10.898          0.908
   C          38.432          3.477         10.898          0.908
   C          38.432          3.477         10.898          0.908
   C          38.432          3.477         10.898          0.908

  IVDW = 202
  VDW_RADIUS =    50.000 A
  VDW_SR =     0.830
  VDW_D =     6.000
  SCSRAD =   120.000 A
  LSCSGRAD = T
  LSCALER0 = T
  Edisp (eV):   -1.75547
    FORVDW:  cpu time   11.0643: real time   11.1562

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   116.91896   116.91896   116.91896
  Ewald    -465.35512  -465.35512  -465.35512    -0.00002    -0.00002    -0.00002
  Hartree    35.03222    35.03222    35.03222    -0.00000    -0.00000    -0.00000
  E(xc)    -122.01018  -122.01018  -122.01018     0.00000     0.00000     0.00000
  Local     -43.88308   -43.88308   -43.88308     0.00001     0.00001     0.00001
  n-local   -28.77984   -29.54879   -29.00690     0.68495     0.81269     0.40535
  augment    -2.92857    -2.92857    -2.92857     0.00000     0.00000     0.00000
  Kinetic   501.57617   517.79386   519.37904    -4.92028    -6.60311    -3.47003
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -0.16142    -1.55569    -2.56286     0.31739     0.22780     0.18439
  -------------------------------------------------------------------------------------
  Total       0.15207     0.15207     0.15207    -0.00000    -0.00000     0.00000
  in kB       5.41852     5.41852     5.41852    -0.00000    -0.00000     0.00000
  external pressure =        5.42 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :       44.97
      direct lattice vectors                 reciprocal lattice vectors
     3.555999994  0.000000000  0.000000000     0.281214849  0.000000000  0.000000000
     0.000000000  3.555999994  0.000000000     0.000000000  0.281214849  0.000000000
     0.000000000  0.000000000  3.555999994     0.000000000  0.000000000  0.281214849

  length of vectors
     3.555999994  3.555999994  3.555999994     0.281214849  0.281214849  0.281214849


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.620E-07 -.620E-07 -.620E-07   0.259E-05 0.259E-05 0.259E-05   0.347E-17 -.607E-17 -.867E-18   0.148E-09 0.148E-09 0.148E-09
   -.620E-07 -.620E-07 -.620E-07   0.259E-05 0.259E-05 0.259E-05   0.104E-16 -.173E-16 -.781E-17   0.148E-09 0.148E-09 0.148E-09
   -.620E-07 -.620E-07 -.620E-07   0.259E-05 0.259E-05 0.259E-05   -.104E-16 -.147E-16 -.260E-17   0.148E-09 0.148E-09 0.148E-09
   -.620E-07 -.620E-07 -.620E-07   0.259E-05 0.259E-05 0.259E-05   -.347E-17 -.356E-16 0.781E-17   0.148E-09 0.148E-09 0.148E-09
   -.147E-04 -.126E-06 -.147E-04   -.105E-04 0.528E-05 -.105E-04   -.234E-16 0.282E-16 0.347E-17   0.128E-07 -.138E-07 0.128E-07
   -.126E-06 -.126E-06 -.126E-06   0.528E-05 0.528E-05 0.528E-05   -.867E-18 0.139E-16 0.104E-16   -.138E-07 -.138E-07 -.138E-07
   -.126E-06 -.147E-04 -.147E-04   0.528E-05 -.105E-04 -.105E-04   0.113E-16 0.334E-16 -.694E-17   -.138E-07 0.128E-07 0.128E-07
   -.147E-04 -.147E-04 -.126E-06   -.105E-04 -.105E-04 0.528E-05   -.954E-17 0.867E-17 0.000E+00   0.128E-07 0.128E-07 -.138E-07
 -----------------------------------------------------------------------------------------------
   -.300E-04 -.300E-04 -.300E-04   0.390E-15 0.748E-14 0.318E-15   -.226E-16 0.104E-16 0.347E-17   -.147E-08 -.147E-08 -.147E-08
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000     -0.000000     -0.000000
      0.00000      1.77800      1.77800        -0.000000      0.000000     -0.000000
      1.77800      1.77800      0.00000        -0.000000      0.000000     -0.000000
      1.77800      0.00000      1.77800        -0.000000     -0.000000     -0.000000
      2.66700      0.88900      2.66700         0.000000     -0.000000      0.000000
      0.88900      0.88900      0.88900         0.000000      0.000000      0.000000
      0.88900      2.66700      2.66700         0.000000     -0.000000      0.000000
      2.66700      2.66700      0.88900         0.000000     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000030     -0.000030     -0.000030


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -74.51903537 eV

  energy  without entropy=      -74.51903537  energy(sigma->0) =      -74.51903537
 


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


    POTLOK:  cpu time    0.0066: real time    0.0067


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




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


    WAVPRE:  cpu time    0.0026: real time    0.0062
    FEWALD:  cpu time    0.0003: real time    0.0003
    GENKIN:  cpu time    0.0415: real time    0.0416
    ORTHCH:  cpu time    0.1060: real time    0.1062
     LOOP+:  cpu time   32.5256: real time   32.6943


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


    POTLOK:  cpu time    0.0059: real time    0.0095
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.7001: real time    1.7050
 BZINTS: Fermi energy:  9.886664; 32.000000 electrons
         Band energy:  25.564932;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0189: real time    0.0190
    CHARGE:  cpu time    0.0380: real time    0.0381
    MIXING:  cpu time    0.0003: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.7643: real time    1.7730

 eigenvalue-minimisations  : 11240
 total energy-change (2. order) :-0.3987870E-02  (-0.7390260E-03)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7626806 magnetization 

 Broyden mixing:
  rms(total) = 0.83512E-02    rms(broyden)= 0.83498E-02
  rms(prec ) = 0.16411E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.59788002
  Ewald energy   TEWEN  =     -1394.78388067
  -Hartree energ DENC   =      -105.00035543
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       112.99212342
  PAW double counting   =      3085.41908044    -3090.76971699
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        25.56493222
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76754905 eV

  energy without entropy =      -72.76754905  energy(sigma->0) =      -72.76754905


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




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


    POTLOK:  cpu time    0.0052: real time    0.0053
    SETDIJ:  cpu time    0.0016: real time    0.0016
     EDDAV:  cpu time    1.6276: real time    1.6322
 BZINTS: Fermi energy:  9.888598; 32.000000 electrons
         Band energy:  25.671970;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0178: real time    0.0178
    CHARGE:  cpu time    0.0383: real time    0.0384
    MIXING:  cpu time    0.0003: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.6908: real time    1.6956

 eigenvalue-minimisations  : 10860
 total energy-change (2. order) : 0.9199546E-04  (-0.1094209E-04)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7625670 magnetization 

 Broyden mixing:
  rms(total) = 0.47634E-02    rms(broyden)= 0.47633E-02
  rms(prec ) = 0.89210E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3056
  2.3056

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.59788002
  Ewald energy   TEWEN  =     -1394.78388067
  -Hartree energ DENC   =      -105.11837541
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.00206901
  PAW double counting   =      3079.19810462    -3084.54761297
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        25.67197041
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76745705 eV

  energy without entropy =      -72.76745705  energy(sigma->0) =      -72.76745705


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




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


    POTLOK:  cpu time    0.0051: real time    0.0052
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.6474: real time    1.6519
 BZINTS: Fermi energy:  9.890774; 32.000000 electrons
         Band energy:  25.793275;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0189: real time    0.0189
    CHARGE:  cpu time    0.0377: real time    0.0378
    MIXING:  cpu time    0.0003: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.7103: real time    1.7152

 eigenvalue-minimisations  : 11120
 total energy-change (2. order) : 0.4201998E-04  (-0.5423331E-05)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7624545 magnetization 

 Broyden mixing:
  rms(total) = 0.64690E-03    rms(broyden)= 0.64689E-03
  rms(prec ) = 0.71137E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3899
  2.1656  0.6142

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.59788002
  Ewald energy   TEWEN  =     -1394.78388067
  -Hartree energ DENC   =      -105.25313873
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.01331081
  PAW double counting   =      3070.61252003    -3075.95976941
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        25.79327499
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76741503 eV

  energy without entropy =      -72.76741503  energy(sigma->0) =      -72.76741503


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




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


    POTLOK:  cpu time    0.0050: real time    0.0052
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.5214: real time    1.5255
 BZINTS: Fermi energy:  9.890712; 32.000000 electrons
         Band energy:  25.789986;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0182: real time    0.0182
    --------------------------------------------
      LOOP:  cpu time    1.5457: real time    1.5500

 eigenvalue-minimisations  : 10300
 total energy-change (2. order) : 0.1882677E-06  (-0.1189502E-06)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7624545 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.59788002
  Ewald energy   TEWEN  =     -1394.78388067
  -Hartree energ DENC   =      -105.25002374
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.01302381
  PAW double counting   =      3070.86499143    -3076.21178013
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        25.78998650
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76741484 eV

  energy without entropy =      -72.76741484  energy(sigma->0) =      -72.76741484


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




 average (electrostatic) potential at core
  the test charge radii are     0.6991
  (the norm of the test charge is              1.0000)
       1 -45.2974       2 -45.2974       3 -45.2974       4 -45.2974       5 -45.2974
       6 -45.2974       7 -45.2974       8 -45.2974
 
 
 
 E-fermi :   9.8907     XC(G=0): -13.2822     alpha+bet :-17.7819


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7419      2.00000
      2      -2.9903      2.00000
      3      -2.9903      2.00000
      4      -2.9903      2.00000
      5      -2.9903      2.00000
      6      -2.9903      2.00000
      7      -2.9903      2.00000
      8       3.4818      2.00000
      9       3.4818      2.00000
     10       3.4818      2.00000
     11       3.4818      2.00000
     12       3.4818      2.00000
     13       3.4818      2.00000
     14       9.8183      2.00000
     15       9.8183      2.00000
     16       9.8183      2.00000
     17      14.5913      0.00000
     18      14.5913      0.00000
     19      14.5913      0.00000
     20      14.5913      0.00000
     21      14.5913      0.00000
     22      14.5913      0.00000
     23      15.4267      0.00000
     24      15.4267      0.00000
     25      15.4267      0.00000
     26      23.2939      0.00000
     27      26.7185      0.00000
     28      26.7185      0.00000
     29      26.7185      0.00000
     30      26.7185      0.00000
     31      26.7185      0.00000
     32      26.7185      0.00000
     33      29.1952      0.00000
     34      33.1619      0.00000
     35      33.1619      0.00000
     36      33.1619      0.00000
     37      33.1619      0.00000
     38      33.1619      0.00000
     39      33.1619      0.00000
     40      36.4243      0.00000

 k-point     2 :       0.0667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7007      2.00000
      2      -4.0417      2.00000
      3      -2.9636      2.00000
      4      -2.9636      2.00000
      5      -2.9636      2.00000
      6      -2.9636      2.00000
      7      -1.8996      2.00000
      8       3.3898      2.00000
      9       3.3898      2.00000
     10       3.3898      2.00000
     11       3.3898      2.00000
     12       3.5221      2.00000
     13       3.5221      2.00000
     14       9.6454      2.00000
     15       9.6454      2.00000
     16       9.7168      2.00000
     17      14.3094      0.00000
     18      14.7619      0.00000
     19      14.7619      0.00000
     20      14.7619      0.00000
     21      14.7619      0.00000
     22      14.9696      0.00000
     23      15.3937      0.00000
     24      15.6352      0.00000
     25      15.6352      0.00000
     26      23.3257      0.00000
     27      26.5817      0.00000
     28      26.5817      0.00000
     29      26.6388      0.00000
     30      26.6388      0.00000
     31      26.6388      0.00000
     32      26.6388      0.00000
     33      29.2685      0.00000
     34      32.8918      0.00000
     35      33.0564      0.00000
     36      33.0564      0.00000
     37      33.0564      0.00000
     38      33.0564      0.00000
     39      33.3540      0.00000
     40      34.9199      0.00000

 k-point     3 :       0.1333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.5772      2.00000
      2      -5.0456      2.00000
      3      -2.8858      2.00000
      4      -2.8858      2.00000
      5      -2.8858      2.00000
      6      -2.8858      2.00000
      7      -0.7802      2.00000
      8       3.1344      2.00000
      9       3.1344      2.00000
     10       3.1344      2.00000
     11       3.1344      2.00000
     12       3.6426      2.00000
     13       3.6426      2.00000
     14       9.1929      2.00000
     15       9.1929      2.00000
     16       9.4199      2.00000
     17      14.1156      0.00000
     18      15.2523      0.00000
     19      15.2523      0.00000
     20      15.2523      0.00000
     21      15.2523      0.00000
     22      15.2983      0.00000
     23      15.4519      0.00000
     24      16.1941      0.00000
     25      16.1941      0.00000
     26      23.3897      0.00000
     27      26.1887      0.00000
     28      26.1887      0.00000
     29      26.3891      0.00000
     30      26.3891      0.00000
     31      26.3891      0.00000
     32      26.3891      0.00000
     33      29.4826      0.00000
     34      32.5551      0.00000
     35      32.7662      0.00000
     36      32.7662      0.00000
     37      32.7662      0.00000
     38      32.7662      0.00000
     39      33.1035      0.00000
     40      33.4555      0.00000

 k-point     4 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.3717      2.00000
      2      -5.9943      2.00000
      3      -2.7631      2.00000
      4      -2.7631      2.00000
      5      -2.7631      2.00000
      6      -2.7631      2.00000
      7       0.3554      2.00000
      8       2.7682      2.00000
      9       2.7682      2.00000
     10       2.7682      2.00000
     11       2.7682      2.00000
     12       3.8429      2.00000
     13       3.8429      2.00000
     14       8.5832      2.00000
     15       8.5832      2.00000
     16       8.9475      2.00000
     17      14.0025      0.00000
     18      15.1514      0.00000
     19      16.0100      0.00000
     20      16.0100      0.00000
     21      16.0100      0.00000
     22      16.0100      0.00000
     23      16.0452      0.00000
     24      16.9795      0.00000
     25      16.9795      0.00000
     26      23.3897      0.00000
     27      25.5827      0.00000
     28      25.5827      0.00000
     29      25.9442      0.00000
     30      25.9442      0.00000
     31      25.9442      0.00000
     32      25.9442      0.00000
     33      29.8210      0.00000
     34      31.5247      0.00000
     35      32.1617      0.00000
     36      32.3651      0.00000
     37      32.3651      0.00000
     38      32.3651      0.00000
     39      32.3651      0.00000
     40      33.4543      0.00000

 k-point     5 :       0.2667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0844      2.00000
      2      -6.8823      2.00000
      3      -2.6076      2.00000
      4      -2.6076      2.00000
      5      -2.6076      2.00000
      6      -2.6076      2.00000
      7       1.4945      2.00000
      8       2.3552      2.00000
      9       2.3552      2.00000
     10       2.3552      2.00000
     11       2.3552      2.00000
     12       4.1209      2.00000
     13       4.1209      2.00000
     14       7.9102      2.00000
     15       7.9102      2.00000
     16       8.3254      2.00000
     17      13.9622      0.00000
     18      14.9681      0.00000
     19      16.7554      0.00000
     20      16.9711      0.00000
     21      16.9711      0.00000
     22      16.9711      0.00000
     23      16.9711      0.00000
     24      17.8955      0.00000
     25      17.8955      0.00000
     26      23.1732      0.00000
     27      24.8160      0.00000
     28      24.8160      0.00000
     29      25.2815      0.00000
     30      25.2815      0.00000
     31      25.2815      0.00000
     32      25.2815      0.00000
     33      30.2587      0.00000
     34      30.3668      0.00000
     35      31.7215      0.00000
     36      31.9505      0.00000
     37      31.9505      0.00000
     38      31.9505      0.00000
     39      31.9505      0.00000
     40      33.3408      0.00000

 k-point     6 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.7162      2.00000
      2      -7.7045      2.00000
      3      -2.4397      2.00000
      4      -2.4397      2.00000
      5      -2.4397      2.00000
      6      -2.4397      2.00000
      7       1.9596      2.00000
      8       1.9596      2.00000
      9       1.9596      2.00000
     10       1.9596      2.00000
     11       2.6225      2.00000
     12       4.4749      2.00000
     13       4.4749      2.00000
     14       7.2291      2.00000
     15       7.2291      2.00000
     16       7.5778      2.00000
     17      13.9871      0.00000
     18      14.7650      0.00000
     19      17.5846      0.00000
     20      18.0699      0.00000
     21      18.0699      0.00000
     22      18.0699      0.00000
     23      18.0699      0.00000
     24      18.8838      0.00000
     25      18.8838      0.00000
     26      22.6089      0.00000
     27      23.9357      0.00000
     28      23.9357      0.00000
     29      24.4085      0.00000
     30      24.4085      0.00000
     31      24.4085      0.00000
     32      24.4085      0.00000
     33      29.7546      0.00000
     34      30.7646      0.00000
     35      31.2465      0.00000
     36      31.6046      0.00000
     37      31.6046      0.00000
     38      31.6046      0.00000
     39      31.6046      0.00000
     40      33.1121      0.00000

 k-point     7 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.2680      2.00000
      2      -8.4569      2.00000
      3      -2.2909      2.00000
      4      -2.2909      2.00000
      5      -2.2909      2.00000
      6      -2.2909      2.00000
      7       1.6433      2.00000
      8       1.6433      2.00000
      9       1.6434      2.00000
     10       1.6434      2.00000
     11       3.7245      2.00000
     12       4.9020      2.00000
     13       4.9020      2.00000
     14       6.5717      2.00000
     15       6.5717      2.00000
     16       6.7273      2.00000
     17      14.0689      0.00000
     18      14.5593      0.00000
     19      18.5279      0.00000
     20      19.2293      0.00000
     21      19.2293      0.00000
     22      19.2293      0.00000
     23      19.2293      0.00000
     24      19.9085      0.00000
     25      19.9085      0.00000
     26      21.7207      0.00000
     27      22.9794      0.00000
     28      22.9794      0.00000
     29      23.3878      0.00000
     30      23.3878      0.00000
     31      23.3878      0.00000
     32      23.3878      0.00000
     33      29.6479      0.00000
     34      30.7550      0.00000
     35      31.3043      0.00000
     36      31.3690      0.00000
     37      31.3690      0.00000
     38      31.3690      0.00000
     39      31.3690      0.00000
     40      32.7740      0.00000

 k-point     8 :       0.4667    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.7410      2.00000
      2      -9.1366      2.00000
      3      -2.2007      2.00000
      4      -2.2007      2.00000
      5      -2.2007      2.00000
      6      -2.2007      2.00000
      7       1.4652      2.00000
      8       1.4652      2.00000
      9       1.4652      2.00000
     10       1.4652      2.00000
     11       4.7855      2.00000
     12       5.3981      2.00000
     13       5.3981      2.00000
     14       5.7913      2.00000
     15       5.9574      2.00000
     16       5.9574      2.00000
     17      14.1985      0.00000
     18      14.3659      0.00000
     19      19.5670      0.00000
     20      20.2578      0.00000
     21      20.2578      0.00000
     22      20.2578      0.00000
     23      20.2578      0.00000
     24      20.6594      0.00000
     25      20.9455      0.00000
     26      20.9455      0.00000
     27      21.9754      0.00000
     28      21.9754      0.00000
     29      22.4220      0.00000
     30      22.4220      0.00000
     31      22.4220      0.00000
     32      22.4220      0.00000
     33      29.8762      0.00000
     34      30.2791      0.00000
     35      31.2526      0.00000
     36      31.2526      0.00000
     37      31.2526      0.00000
     38      31.2526      0.00000
     39      31.8419      0.00000
     40      32.3423      0.00000

 k-point     9 :       0.0667    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.6595      2.00000
      2      -4.0109      2.00000
      3      -4.0109      2.00000
      4      -2.9594      2.00000
      5      -2.9162      2.00000
      6      -1.8794      2.00000
      7      -1.8794      2.00000
      8       3.0644      2.00000
      9       3.4233      2.00000
     10       3.4233      2.00000
     11       3.4390      2.00000
     12       3.4390      2.00000
     13       3.5512      2.00000
     14       9.3451      2.00000
     15       9.4770      2.00000
     16       9.7676      2.00000
     17      14.4832      0.00000
     18      14.4832      0.00000
     19      14.6584      0.00000
     20      15.1359      0.00000
     21      15.1359      0.00000
     22      15.1876      0.00000
     23      15.5105      0.00000
     24      15.6907      0.00000
     25      15.8156      0.00000
     26      23.3599      0.00000
     27      26.4645      0.00000
     28      26.4645      0.00000
     29      26.5132      0.00000
     30      26.5363      0.00000
     31      26.5363      0.00000
     32      26.6137      0.00000
     33      29.3389      0.00000
     34      32.6506      0.00000
     35      32.8298      0.00000
     36      32.8298      0.00000
     37      33.2174      0.00000
     38      33.2174      0.00000
     39      33.2717      0.00000
     40      34.6483      0.00000

 k-point    10 :       0.1333    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.5360      2.00000
      2      -5.0118      2.00000
      3      -3.9197      2.00000
      4      -2.9094      2.00000
      5      -2.8160      2.00000
      6      -1.8219      2.00000
      7      -0.7699      2.00000
      8       2.6264      2.00000
      9       3.1485      2.00000
     10       3.2100      2.00000
     11       3.5282      2.00000
     12       3.5384      2.00000
     13       3.5720      2.00000
     14       8.8225      2.00000
     15       9.0338      2.00000
     16       9.5935      2.00000
     17      14.2922      0.00000
     18      14.8944      0.00000
     19      14.9825      0.00000
     20      15.4642      0.00000
     21      15.6133      0.00000
     22      15.6152      0.00000
     23      15.8869      0.00000
     24      16.1952      0.00000
     25      16.3124      0.00000
     26      23.4312      0.00000
     27      26.0393      0.00000
     28      26.1095      0.00000
     29      26.1687      0.00000
     30      26.2268      0.00000
     31      26.3902      0.00000
     32      26.4264      0.00000
     33      29.5445      0.00000
     34      32.1185      0.00000
     35      32.5375      0.00000
     36      32.6645      0.00000
     37      32.8303      0.00000
     38      33.1189      0.00000
     39      33.2681      0.00000
     40      33.3069      0.00000

 k-point    11 :       0.2000    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.3306      2.00000
      2      -5.9587      2.00000
      3      -3.7721      2.00000
      4      -2.8253      2.00000
      5      -2.6652      2.00000
      6      -1.7370      2.00000
      7       0.3501      2.00000
      8       2.1402      2.00000
      9       2.7514      2.00000
     10       2.8877      2.00000
     11       3.3430      2.00000
     12       3.7340      2.00000
     13       3.7902      2.00000
     14       8.1839      2.00000
     15       8.4334      2.00000
     16       9.2005      2.00000
     17      14.1811      0.00000
     18      15.3241      0.00000
     19      15.4448      0.00000
     20      15.7521      0.00000
     21      16.2007      0.00000
     22      16.3571      0.00000
     23      16.7995      0.00000
     24      16.9705      0.00000
     25      17.0328      0.00000
     26      23.4432      0.00000
     27      25.4121      0.00000
     28      25.5143      0.00000
     29      25.5780      0.00000
     30      25.7520      0.00000
     31      26.0489      0.00000
     32      26.1136      0.00000
     33      29.8696      0.00000
     34      31.5494      0.00000
     35      31.5761      0.00000
     36      32.1804      0.00000
     37      32.2646      0.00000
     38      32.4477      0.00000
     39      33.0694      0.00000
     40      33.3113      0.00000

 k-point    12 :       0.2667    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.0435      2.00000
      2      -6.8451      2.00000
      3      -3.5757      2.00000
      4      -2.7276      2.00000
      5      -2.4709      2.00000
      6      -1.6438      2.00000
      7       1.4634      2.00000
      8       1.6709      2.00000
      9       2.2944      2.00000
     10       2.5391      2.00000
     11       3.0483      2.00000
     12       4.0081      2.00000
     13       4.0964      2.00000
     14       7.4901      2.00000
     15       7.7679      2.00000
     16       8.6367      2.00000
     17      14.1424      0.00000
     18      15.1440      0.00000
     19      16.2532      0.00000
     20      16.7273      0.00000
     21      16.9042      0.00000
     22      17.2973      0.00000
     23      17.8664      0.00000
     24      17.8835      0.00000
     25      17.8930      0.00000
     26      23.2424      0.00000
     27      24.6369      0.00000
     28      24.6958      0.00000
     29      24.8185      0.00000
     30      25.0634      0.00000
     31      25.4535      0.00000
     32      25.6609      0.00000
     33      30.2902      0.00000
     34      30.4270      0.00000
     35      31.0376      0.00000
     36      31.6350      0.00000
     37      31.7653      0.00000
     38      32.2370      0.00000
     39      32.7578      0.00000
     40      33.2150      0.00000

 k-point    13 :       0.3333    0.0667    0.0000
  band No.  band energies     occupation 
      1     -10.6755      2.00000
      2      -7.6662      2.00000
      3      -3.3438      2.00000
      4      -2.6483      2.00000
      5      -2.2454      2.00000
      6      -1.5719      2.00000
      7       1.2837      2.00000
      8       1.8364      2.00000
      9       2.2354      2.00000
     10       2.5466      2.00000
     11       2.7071      2.00000
     12       4.3585      2.00000
     13       4.4969      2.00000
     14       6.7762      2.00000
     15       7.0928      2.00000
     16       7.9469      2.00000
     17      14.1682      0.00000
     18      14.9432      0.00000
     19      17.2508      0.00000
     20      17.7260      0.00000
     21      17.8459      0.00000
     22      18.3635      0.00000
     23      18.8351      0.00000
     24      18.8723      0.00000
     25      19.0284      0.00000
     26      22.6952      0.00000
     27      23.7061      0.00000
     28      23.7595      0.00000
     29      23.9400      0.00000
     30      24.1692      0.00000
     31      24.6383      0.00000
     32      24.9910      0.00000
     33      29.8167      0.00000
     34      30.6510      0.00000
     35      30.7764      0.00000
     36      31.0674      0.00000
     37      31.3051      0.00000
     38      32.0741      0.00000
     39      32.4391      0.00000
     40      33.0088      0.00000

 k-point    14 :       0.4000    0.0667    0.0000
  band No.  band energies     occupation 
      1     -10.2275      2.00000
      2      -8.4178      2.00000
      3      -3.0977      2.00000
      4      -2.6288      2.00000
      5      -2.0090      2.00000
      6      -1.5585      2.00000
      7       1.0414      2.00000
      8       1.4309      2.00000
      9       2.0423      2.00000
     10       2.3814      2.00000
     11       3.5688      2.00000
     12       4.7822      2.00000
     13       5.0044      2.00000
     14       6.0544      2.00000
     15       6.4404      2.00000
     16       7.1764      2.00000
     17      14.2504      0.00000
     18      14.7391      0.00000
     19      18.3612      0.00000
     20      18.6609      0.00000
     21      19.0465      0.00000
     22      19.4411      0.00000
     23      19.8216      0.00000
     24      19.8999      0.00000
     25      20.1977      0.00000
     26      21.8220      0.00000
     27      22.6626      0.00000
     28      22.8154      0.00000
     29      22.9822      0.00000
     30      23.1490      0.00000
     31      23.6497      0.00000
     32      24.1057      0.00000
     33      29.7117      0.00000
     34      30.4159      0.00000
     35      30.6494      0.00000
     36      30.8207      0.00000
     37      31.2947      0.00000
     38      31.9794      0.00000
     39      32.1869      0.00000
     40      32.6948      0.00000

 k-point    15 :       0.4667    0.0667    0.0000
  band No.  band energies     occupation 
      1      -9.7008      2.00000
      2      -9.0969      2.00000
      3      -2.8701      2.00000
      4      -2.7027      2.00000
      5      -1.7920      2.00000
      6      -1.6320      2.00000
      7       0.9889      2.00000
      8       1.1310      2.00000
      9       2.0055      2.00000
     10       2.1298      2.00000
     11       4.4935      2.00000
     12       5.2747      2.00000
     13       5.3088      2.00000
     14       5.6354      2.00000
     15       5.8303      2.00000
     16       6.3808      2.00000
     17      14.3800      0.00000
     18      14.5468      0.00000
     19      19.4641      0.00000
     20      19.6907      0.00000
     21      20.0880      0.00000
     22      20.2365      0.00000
     23      20.7693      0.00000
     24      20.8307      0.00000
     25      20.9407      0.00000
     26      20.9600      0.00000
     27      21.8311      0.00000
     28      21.9748      0.00000
     29      22.0175      0.00000
     30      22.4289      0.00000
     31      22.6136      0.00000
     32      23.0925      0.00000
     33      29.9423      0.00000
     34      30.3344      0.00000
     35      30.3465      0.00000
     36      30.4082      0.00000
     37      31.8098      0.00000
     38      31.9618      0.00000
     39      32.0282      0.00000
     40      32.2870      0.00000

 k-point    16 :       0.1333    0.1333    0.0000
  band No.  band energies     occupation 
      1     -11.4128      2.00000
      2      -4.9114      2.00000
      3      -4.9114      2.00000
      4      -2.8981      2.00000
      5      -2.6947      2.00000
      6      -0.7438      2.00000
      7      -0.7438      2.00000
      8       2.0677      2.00000
      9       3.2487      2.00000
     10       3.2487      2.00000
     11       3.3803      2.00000
     12       3.3803      2.00000
     13       3.7564      2.00000
     14       8.2310      2.00000
     15       8.6109      2.00000
     16       9.6116      2.00000
     17      14.7982      0.00000
     18      14.7982      0.00000
     19      14.8583      0.00000
     20      15.7611      0.00000
     21      16.0788      0.00000
     22      16.0788      0.00000
     23      16.3473      0.00000
     24      16.6591      0.00000
     25      16.7416      0.00000
     26      23.5243      0.00000
     27      25.5998      0.00000
     28      25.5998      0.00000
     29      25.9296      0.00000
     30      26.1027      0.00000
     31      26.1027      0.00000
     32      26.3240      0.00000
     33      29.7255      0.00000
     34      31.3917      0.00000
     35      32.4927      0.00000
     36      32.4927      0.00000
     37      32.8334      0.00000
     38      32.8754      0.00000
     39      32.8754      0.00000
     40      33.5694      0.00000

 k-point    17 :       0.2000    0.1333    0.0000
  band No.  band energies     occupation 
      1     -11.2075      2.00000
      2      -5.8519      2.00000
      3      -4.7471      2.00000
      4      -2.8718      2.00000
      5      -2.5213      2.00000
      6      -0.7173      2.00000
      7       0.3271      2.00000
      8       1.5245      2.00000
      9       2.8286      2.00000
     10       3.1217      2.00000
     11       3.4319      2.00000
     12       3.6535      2.00000
     13       3.8006      2.00000
     14       7.5591      2.00000
     15       8.0314      2.00000
     16       9.3848      2.00000
     17      14.6919      0.00000
     18      15.1567      0.00000
     19      15.5761      0.00000
     20      15.7616      0.00000
     21      16.6501      0.00000
     22      16.8003      0.00000
     23      16.9789      0.00000
     24      17.2054      0.00000
     25      17.7619      0.00000
     26      23.5725      0.00000
     27      24.8994      0.00000
     28      24.9214      0.00000
     29      25.4653      0.00000
     30      25.5615      0.00000
     31      25.9710      0.00000
     32      26.0488      0.00000
     33      30.0120      0.00000
     34      30.6724      0.00000
     35      31.6648      0.00000
     36      32.2107      0.00000
     37      32.2306      0.00000
     38      32.4391      0.00000
     39      32.8887      0.00000
     40      33.6255      0.00000

 k-point    18 :       0.2667    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.9208      2.00000
      2      -6.7338      2.00000
      3      -4.5238      2.00000
      4      -2.8630      2.00000
      5      -2.2986      2.00000
      6      -0.7176      2.00000
      7       1.0633      2.00000
      8       1.3622      2.00000
      9       2.3408      2.00000
     10       2.8673      2.00000
     11       3.6839      2.00000
     12       3.6956      2.00000
     13       4.0427      2.00000
     14       6.8520      2.00000
     15       7.3833      2.00000
     16       8.9420      2.00000
     17      14.6562      0.00000
     18      15.6179      0.00000
     19      15.7609      0.00000
     20      16.5596      0.00000
     21      17.3346      0.00000
     22      17.7120      0.00000
     23      17.8607      0.00000
     24      17.9060      0.00000
     25      18.8972      0.00000
     26      23.4214      0.00000
     27      23.9914      0.00000
     28      24.1289      0.00000
     29      24.7963      0.00000
     30      24.8256      0.00000
     31      25.5620      0.00000
     32      25.7347      0.00000
     33      30.0558      0.00000
     34      30.3828      0.00000
     35      30.5754      0.00000
     36      31.4080      0.00000
     37      31.8794      0.00000
     38      32.3958      0.00000
     39      32.8389      0.00000
     40      33.4445      0.00000

 k-point    19 :       0.3333    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.5534      2.00000
      2      -7.5516      2.00000
      3      -4.2498      2.00000
      4      -2.9147      2.00000
      5      -2.0340      2.00000
      6      -0.7783      2.00000
      7       0.7505      2.00000
      8       1.8410      2.00000
      9       2.3279      2.00000
     10       2.6890      2.00000
     11       3.4580      2.00000
     12       4.0366      2.00000
     13       4.5634      2.00000
     14       6.1357      2.00000
     15       6.7223      2.00000
     16       8.3313      2.00000
     17      14.6833      0.00000
     18      15.4340      0.00000
     19      16.6101      0.00000
     20      17.6880      0.00000
     21      18.1343      0.00000
     22      18.7131      0.00000
     23      18.7266      0.00000
     24      18.8445      0.00000
     25      20.0916      0.00000
     26      22.9300      0.00000
     27      22.9643      0.00000
     28      23.2639      0.00000
     29      23.9197      0.00000
     30      23.9533      0.00000
     31      24.8447      0.00000
     32      25.3329      0.00000
     33      29.6125      0.00000
     34      29.9747      0.00000
     35      30.6031      0.00000
     36      30.8113      0.00000
     37      31.4563      0.00000
     38      32.3778      0.00000
     39      32.6986      0.00000
     40      33.1348      0.00000

 k-point    20 :       0.4000    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.1063      2.00000
      2      -8.3007      2.00000
      3      -3.9388      2.00000
      4      -3.0624      2.00000
      5      -1.7400      2.00000
      6      -0.9244      2.00000
      7       0.6355      2.00000
      8       1.3760      2.00000
      9       2.6376      2.00000
     10       3.1845      2.00000
     11       3.1986      2.00000
     12       4.4512      2.00000
     13       5.2213      2.00000
     14       5.4223      2.00000
     15       6.0814      2.00000
     16       7.6019      2.00000
     17      14.7650      0.00000
     18      15.2400      0.00000
     19      17.6286      0.00000
     20      18.9064      0.00000
     21      19.0444      0.00000
     22      19.5873      0.00000
     23      19.6376      0.00000
     24      19.8774      0.00000
     25      21.2227      0.00000
     26      22.0322      0.00000
     27      22.1063      0.00000
     28      22.3568      0.00000
     29      22.9439      0.00000
     30      22.9912      0.00000
     31      23.9243      0.00000
     32      24.7017      0.00000
     33      29.3693      0.00000
     34      29.8729      0.00000
     35      29.9408      0.00000
     36      30.9888      0.00000
     37      31.2664      0.00000
     38      32.3975      0.00000
     39      32.4570      0.00000
     40      32.8330      0.00000

 k-point    21 :       0.4667    0.1333    0.0000
  band No.  band energies     occupation 
      1      -9.5805      2.00000
      2      -8.9779      2.00000
      3      -3.6132      2.00000
      4      -3.3067      2.00000
      5      -1.4368      2.00000
      6      -1.1533      2.00000
      7       0.7262      2.00000
      8       0.9891      2.00000
      9       2.7242      2.00000
     10       2.9219      2.00000
     11       3.9807      2.00000
     12       4.7101      2.00000
     13       4.9349      2.00000
     14       5.4813      2.00000
     15       5.9879      2.00000
     16       6.8027      2.00000
     17      14.8923      0.00000
     18      15.0546      0.00000
     19      18.7204      0.00000
     20      19.6592      0.00000
     21      20.0459      0.00000
     22      20.1549      0.00000
     23      20.4984      0.00000
     24      20.9285      0.00000
     25      21.0982      0.00000
     26      21.2925      0.00000
     27      21.4299      0.00000
     28      21.9741      0.00000
     29      21.9856      0.00000
     30      22.8705      0.00000
     31      22.8905      0.00000
     32      23.8326      0.00000
     33      29.3310      0.00000
     34      29.5130      0.00000
     35      30.1092      0.00000
     36      30.5178      0.00000
     37      31.7145      0.00000
     38      32.1216      0.00000
     39      32.4685      0.00000
     40      32.6084      0.00000

 k-point    22 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.0027      2.00000
      2      -5.6759      2.00000
      3      -5.6759      2.00000
      4      -2.9348      2.00000
      5      -2.3265      2.00000
      6       0.2649      2.00000
      7       0.2649      2.00000
      8       0.9892      2.00000
      9       2.9940      2.00000
     10       2.9940      2.00000
     11       3.4879      2.00000
     12       3.4879      2.00000
     13       4.0916      2.00000
     14       6.8740      2.00000
     15       7.4738      2.00000
     16       9.3407      2.00000
     17      15.1868      0.00000
     18      15.4747      0.00000
     19      15.4747      0.00000
     20      16.1756      0.00000
     21      17.2028      0.00000
     22      17.3463      0.00000
     23      17.3463      0.00000
     24      17.5201      0.00000
     25      18.8518      0.00000
     26      23.6837      0.00000
     27      24.1668      0.00000
     28      24.1668      0.00000
     29      25.0500      0.00000
     30      25.5247      0.00000
     31      25.5247      0.00000
     32      25.9059      0.00000
     33      29.8119      0.00000
     34      30.2376      0.00000
     35      31.4231      0.00000
     36      32.2115      0.00000
     37      32.2115      0.00000
     38      32.2993      0.00000
     39      32.2993      0.00000
     40      33.3289      0.00000

 k-point    23 :       0.2667    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.7167      2.00000
      2      -6.5497      2.00000
      3      -5.4342      2.00000
      4      -3.0579      2.00000
      5      -2.0807      2.00000
      6       0.1352      2.00000
      7       0.6028      2.00000
      8       1.1747      2.00000
      9       2.4837      2.00000
     10       3.2432      2.00000
     11       3.3610      2.00000
     12       4.0044      2.00000
     13       4.1992      2.00000
     14       6.1671      2.00000
     15       6.8446      2.00000
     16       9.0581      2.00000
     17      15.4406      0.00000
     18      15.5432      0.00000
     19      16.2443      0.00000
     20      16.4613      0.00000
     21      17.8886      0.00000
     22      17.9827      0.00000
     23      17.9999      0.00000
     24      18.2195      0.00000
     25      20.0249      0.00000
     26      23.2303      0.00000
     27      23.3665      0.00000
     28      23.6252      0.00000
     29      24.4528      0.00000
     30      24.8352      0.00000
     31      25.4489      0.00000
     32      25.5693      0.00000
     33      29.0707      0.00000
     34      30.5299      0.00000
     35      30.6717      0.00000
     36      31.3364      0.00000
     37      32.0271      0.00000
     38      32.2209      0.00000
     39      32.3767      0.00000
     40      33.4788      0.00000

 k-point    24 :       0.3333    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.3504      2.00000
      2      -7.3616      2.00000
      3      -5.1322      2.00000
      4      -3.2786      2.00000
      5      -1.7872      2.00000
      6      -0.0808      2.00000
      7       0.4184      2.00000
      8       1.9551      2.00000
      9       1.9911      2.00000
     10       3.3257      2.00000
     11       3.5716      2.00000
     12       4.1463      2.00000
     13       4.6726      2.00000
     14       5.4599      2.00000
     15       6.1991      2.00000
     16       8.5655      2.00000
     17      15.4660      0.00000
     18      16.1327      0.00000
     19      16.1924      0.00000
     20      17.5909      0.00000
     21      18.5747      0.00000
     22      18.7620      0.00000
     23      18.8253      0.00000
     24      19.1490      0.00000
     25      21.2233      0.00000
     26      22.2441      0.00000
     27      22.5339      0.00000
     28      23.2447      0.00000
     29      23.6436      0.00000
     30      23.9761      0.00000
     31      24.9973      0.00000
     32      25.2964      0.00000
     33      28.5453      0.00000
     34      30.1306      0.00000
     35      30.3613      0.00000
     36      30.8663      0.00000
     37      31.6457      0.00000
     38      32.1822      0.00000
     39      32.4617      0.00000
     40      33.6799      0.00000

 k-point    25 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.9045      2.00000
      2      -8.1065      2.00000
      3      -4.7788      2.00000
      4      -3.5987      2.00000
      5      -1.4540      2.00000
      6      -0.3771      2.00000
      7       0.4474      2.00000
      8       1.4507      2.00000
      9       2.7248      2.00000
     10       3.3978      2.00000
     11       3.9750      2.00000
     12       3.9835      2.00000
     13       4.7647      2.00000
     14       5.4588      2.00000
     15       5.5716      2.00000
     16       7.9086      2.00000
     17      15.5426      0.00000
     18      15.9736      0.00000
     19      17.0690      0.00000
     20      18.8109      0.00000
     21      19.2643      0.00000
     22      19.6235      0.00000
     23      19.7013      0.00000
     24      19.8538      0.00000
     25      21.6502      0.00000
     26      21.6966      0.00000
     27      22.1610      0.00000
     28      22.5239      0.00000
     29      22.8628      0.00000
     30      23.0086      0.00000
     31      24.1906      0.00000
     32      24.9961      0.00000
     33      28.2886      0.00000
     34      29.4285      0.00000
     35      30.0412      0.00000
     36      31.1917      0.00000
     37      31.2191      0.00000
     38      32.0598      0.00000
     39      32.5644      0.00000
     40      33.2569      0.00000

 k-point    26 :       0.4667    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.3807      2.00000
      2      -8.7805      2.00000
      3      -4.3883      2.00000
      4      -3.9834      2.00000
      5      -1.0938      2.00000
      6      -0.7256      2.00000
      7       0.6585      2.00000
      8       1.0066      2.00000
      9       3.4112      2.00000
     10       3.5586      2.00000
     11       3.7695      2.00000
     12       4.0843      2.00000
     13       4.4477      2.00000
     14       4.9832      2.00000
     15       6.3017      2.00000
     16       7.1370      2.00000
     17      15.6608      0.00000
     18      15.8093      0.00000
     19      18.0877      0.00000
     20      19.1161      0.00000
     21      20.0159      0.00000
     22      20.0704      0.00000
     23      20.4971      0.00000
     24      20.9158      0.00000
     25      20.9408      0.00000
     26      21.3043      0.00000
     27      21.6031      0.00000
     28      21.9772      0.00000
     29      22.2083      0.00000
     30      23.2126      0.00000
     31      23.6186      0.00000
     32      24.4495      0.00000
     33      28.3299      0.00000
     34      28.7109      0.00000
     35      30.2916      0.00000
     36      30.7151      0.00000
     37      31.5566      0.00000
     38      31.8462      0.00000
     39      32.7076      0.00000
     40      32.9267      0.00000

 k-point    27 :       0.2667    0.2667    0.0000
  band No.  band energies     occupation 
      1     -10.4318      2.00000
      2      -6.2952      2.00000
      3      -6.2952      2.00000
      4      -3.3508      2.00000
      5      -1.8130      2.00000
      6       0.3453      2.00000
      7       0.8935      2.00000
      8       0.8935      2.00000
      9       2.7155      2.00000
     10       2.7155      2.00000
     11       4.0227      2.00000
     12       4.0227      2.00000
     13       4.5463      2.00000
     14       5.4687      2.00000
     15       6.2320      2.00000
     16       8.9476      2.00000
     17      15.6359      0.00000
     18      16.4252      0.00000
     19      16.4252      0.00000
     20      16.7493      0.00000
     21      18.1672      0.00000
     22      18.1685      0.00000
     23      18.8199      0.00000
     24      18.8199      0.00000
     25      21.2064      0.00000
     26      22.4563      0.00000
     27      22.4563      0.00000
     28      23.7147      0.00000
     29      23.9752      0.00000
     30      24.8427      0.00000
     31      24.8427      0.00000
     32      25.4179      0.00000
     33      28.1877      0.00000
     34      30.4585      0.00000
     35      30.7196      0.00000
     36      31.3862      0.00000
     37      31.3862      0.00000
     38      32.1762      0.00000
     39      32.1762      0.00000
     40      33.0357      0.00000

 k-point    28 :       0.3333    0.2667    0.0000
  band No.  band energies     occupation 
      1     -10.0670      2.00000
      2      -7.0980      2.00000
      3      -5.9740      2.00000
      4      -3.7450      2.00000
      5      -1.4958      2.00000
      6       0.3054      2.00000
      7       0.5329      2.00000
      8       1.5700      2.00000
      9       2.1661      2.00000
     10       3.0299      2.00000
     11       4.1122      2.00000
     12       4.7104      2.00000
     13       4.7761      2.00000
     14       4.8175      2.00000
     15       5.6005      2.00000
     16       8.6081      2.00000
     17      16.0422      0.00000
     18      16.4434      0.00000
     19      16.8931      0.00000
     20      17.5481      0.00000
     21      18.4840      0.00000
     22      18.8875      0.00000
     23      19.4988      0.00000
     24      19.5841      0.00000
     25      21.6258      0.00000
     26      21.7120      0.00000
     27      22.3707      0.00000
     28      23.2986      0.00000
     29      23.5271      0.00000
     30      24.0103      0.00000
     31      24.8380      0.00000
     32      25.0436      0.00000
     33      27.5477      0.00000
     34      30.1205      0.00000
     35      30.3861      0.00000
     36      30.9339      0.00000
     37      31.4667      0.00000
     38      31.8215      0.00000
     39      32.3133      0.00000
     40      33.3520      0.00000

 k-point    29 :       0.4000    0.2667    0.0000
  band No.  band energies     occupation 
      1      -9.6232      2.00000
      2      -7.8362      2.00000
      3      -5.5922      2.00000
      4      -4.2061      2.00000
      5      -1.1334      2.00000
      6       0.1215      2.00000
      7       0.4546      2.00000
      8       1.6349      2.00000
      9       2.2002      2.00000
     10       3.4211      2.00000
     11       4.1012      2.00000
     12       4.2601      2.00000
     13       4.7137      2.00000
     14       4.9850      2.00000
     15       5.6826      2.00000
     16       8.0659      2.00000
     17      16.5069      0.00000
     18      16.7237      0.00000
     19      16.8356      0.00000
     20      18.7562      0.00000
     21      18.9216      0.00000
     22      19.5036      0.00000
     23      19.8595      0.00000
     24      20.1367      0.00000
     25      21.1294      0.00000
     26      21.6703      0.00000
     27      22.3238      0.00000
     28      22.9958      0.00000
     29      23.0391      0.00000
     30      23.4803      0.00000
     31      24.4101      0.00000
     32      24.7955      0.00000
     33      27.2904      0.00000
     34      29.3050      0.00000
     35      30.0821      0.00000
     36      31.1482      0.00000
     37      31.3564      0.00000
     38      31.5023      0.00000
     39      32.4472      0.00000
     40      33.3290      0.00000

 k-point    30 :       0.4667    0.2667    0.0000
  band No.  band energies     occupation 
      1      -9.1020      2.00000
      2      -8.5055      2.00000
      3      -5.1591      2.00000
      4      -4.6893      2.00000
      5      -0.7337      2.00000
      6      -0.3092      2.00000
      7       0.7498      2.00000
      8       1.1535      2.00000
      9       2.8191      2.00000
     10       3.4494      2.00000
     11       3.8829      2.00000
     12       4.4076      2.00000
     13       4.4374      2.00000
     14       4.6046      2.00000
     15       6.5512      2.00000
     16       7.3635      2.00000
     17      16.6047      0.00000
     18      16.7222      0.00000
     19      17.6099      0.00000
     20      18.6035      0.00000
     21      19.4537      0.00000
     22      19.9982      0.00000
     23      20.0135      0.00000
     24      20.9176      0.00000
     25      21.2150      0.00000
     26      21.4221      0.00000
     27      21.9926      0.00000
     28      22.2281      0.00000
     29      22.5591      0.00000
     30      23.5475      0.00000
     31      24.2507      0.00000
     32      24.6483      0.00000
     33      27.5345      0.00000
     34      28.2795      0.00000
     35      30.3724      0.00000
     36      30.8427      0.00000
     37      31.3327      0.00000
     38      31.4578      0.00000
     39      32.6136      0.00000
     40      32.8790      0.00000

 k-point    31 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.7041      2.00000
      2      -6.7634      2.00000
      3      -6.7634      2.00000
      4      -4.2807      2.00000
      5      -1.1564      2.00000
      6       0.3856      2.00000
      7       1.0994      2.00000
      8       1.0994      2.00000
      9       2.4647      2.00000
     10       2.4647      2.00000
     11       4.1014      2.00000
     12       4.9810      2.00000
     13       4.9849      2.00000
     14       4.9849      2.00000
     15       5.1046      2.00000
     16       8.4349      2.00000
     17      16.1898      0.00000
     18      17.4747      0.00000
     19      17.5514      0.00000
     20      17.5514      0.00000
     21      18.4925      0.00000
     22      19.2202      0.00000
     23      19.8393      0.00000
     24      19.8393      0.00000
     25      21.3222      0.00000
     26      21.3222      0.00000
     27      22.7989      0.00000
     28      23.4275      0.00000
     29      23.6214      0.00000
     30      24.0583      0.00000
     31      24.0583      0.00000
     32      24.9086      0.00000
     33      26.8139      0.00000
     34      29.9544      0.00000
     35      30.5729      0.00000
     36      30.5729      0.00000
     37      30.9997      0.00000
     38      31.9542      0.00000
     39      31.9542      0.00000
     40      33.3066      0.00000

 k-point    32 :       0.4000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.2632      2.00000
      2      -7.4922      2.00000
      3      -6.3623      2.00000
      4      -4.8401      2.00000
      5      -0.7695      2.00000
      6       0.6093      2.00000
      7       0.6185      2.00000
      8       1.6555      2.00000
      9       1.9145      2.00000
     10       2.8432      2.00000
     11       3.4473      2.00000
     12       4.3761      2.00000
     13       5.1535      2.00000
     14       5.3151      2.00000
     15       5.8746      2.00000
     16       8.0441      2.00000
     17      16.6327      0.00000
     18      17.5903      0.00000
     19      17.6947      0.00000
     20      18.6277      0.00000
     21      18.7338      0.00000
     22      19.1407      0.00000
     23      19.6470      0.00000
     24      19.9718      0.00000
     25      21.6080      0.00000
     26      22.0104      0.00000
     27      22.0623      0.00000
     28      23.0916      0.00000
     29      23.3973      0.00000
     30      24.1123      0.00000
     31      24.1233      0.00000
     32      24.5175      0.00000
     33      26.7060      0.00000
     34      29.5409      0.00000
     35      29.9578      0.00000
     36      30.7880      0.00000
     37      31.0415      0.00000
     38      31.4337      0.00000
     39      32.0489      0.00000
     40      32.8628      0.00000

 k-point    33 :       0.4667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.7458      2.00000
      2      -8.1545      2.00000
      3      -5.9006      2.00000
      4      -5.3882      2.00000
      5      -0.3401      2.00000
      6       0.1236      2.00000
      7       0.9683      2.00000
      8       1.4079      2.00000
      9       2.2253      2.00000
     10       2.8212      2.00000
     11       3.2940      2.00000
     12       3.8087      2.00000
     13       5.2932      2.00000
     14       5.3631      2.00000
     15       6.7182      2.00000
     16       7.4585      2.00000
     17      17.3278      0.00000
     18      17.6497      0.00000
     19      17.7040      0.00000
     20      18.2002      0.00000
     21      18.8904      0.00000
     22      19.2545      0.00000
     23      19.9332      0.00000
     24      20.9675      0.00000
     25      21.0760      0.00000
     26      22.0367      0.00000
     27      22.2211      0.00000
     28      22.8787      0.00000
     29      22.9656      0.00000
     30      23.8479      0.00000
     31      24.2040      0.00000
     32      24.2650      0.00000
     33      27.3888      0.00000
     34      28.4376      0.00000
     35      30.2878      0.00000
     36      30.8353      0.00000
     37      30.9506      0.00000
     38      31.0329      0.00000
     39      32.1597      0.00000
     40      32.3916      0.00000

 k-point    34 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.8261      2.00000
      2      -7.0774      2.00000
      3      -7.0774      2.00000
      4      -5.4647      2.00000
      5      -0.3599      2.00000
      6       0.9055      2.00000
      7       1.1125      2.00000
      8       1.1125      2.00000
      9       2.2786      2.00000
     10       2.2786      2.00000
     11       2.8150      2.00000
     12       3.7808      2.00000
     13       5.7441      2.00000
     14       6.0125      2.00000
     15       6.0125      2.00000
     16       7.8215      2.00000
     17      16.8197      0.00000
     18      18.3407      0.00000
     19      18.4418      0.00000
     20      18.7298      0.00000
     21      18.7298      0.00000
     22      18.7829      0.00000
     23      18.7829      0.00000
     24      20.3632      0.00000
     25      21.5974      0.00000
     26      22.4988      0.00000
     27      22.4988      0.00000
     28      23.1827      0.00000
     29      23.1827      0.00000
     30      23.5688      0.00000
     31      24.0199      0.00000
     32      24.4200      0.00000
     33      27.0455      0.00000
     34      29.9037      0.00000
     35      29.9310      0.00000
     36      29.9310      0.00000
     37      30.8802      0.00000
     38      31.4332      0.00000
     39      31.4332      0.00000
     40      32.1665      0.00000

 k-point    35 :       0.4667    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.3140      2.00000
      2      -7.7298      2.00000
      3      -6.5962      2.00000
      4      -6.0552      2.00000
      5       0.0945      2.00000
      6       0.5881      2.00000
      7       1.2906      2.00000
      8       1.6451      2.00000
      9       1.7543      2.00000
     10       2.2127      2.00000
     11       2.7180      2.00000
     12       3.2227      2.00000
     13       5.9870      2.00000
     14       6.0636      2.00000
     15       6.7767      2.00000
     16       7.3931      2.00000
     17      17.2762      0.00000
     18      17.9559      0.00000
     19      18.4028      0.00000
     20      18.5220      0.00000
     21      18.6351      0.00000
     22      18.7172      0.00000
     23      19.8521      0.00000
     24      20.8503      0.00000
     25      21.1436      0.00000
     26      22.1445      0.00000
     27      23.0112      0.00000
     28      23.3443      0.00000
     29      23.3604      0.00000
     30      23.4174      0.00000
     31      23.6267      0.00000
     32      24.0345      0.00000
     33      27.9514      0.00000
     34      28.9642      0.00000
     35      30.1695      0.00000
     36      30.3216      0.00000
     37      30.6437      0.00000
     38      30.7409      0.00000
     39      31.4565      0.00000
     40      31.6653      0.00000

 k-point    36 :       0.4667    0.4667    0.0000
  band No.  band energies     occupation 
      1      -7.8092      2.00000
      2      -7.2348      2.00000
      3      -7.2348      2.00000
      4      -6.6743      2.00000
      5       0.5723      2.00000
      6       1.0912      2.00000
      7       1.0912      2.00000
      8       1.6337      2.00000
      9       1.6995      2.00000
     10       2.1803      2.00000
     11       2.1803      2.00000
     12       2.6742      2.00000
     13       6.4351      2.00000
     14       6.6931      2.00000
     15       6.6931      2.00000
     16       7.1413      2.00000
     17      17.4730      0.00000
     18      17.9042      0.00000
     19      17.9042      0.00000
     20      18.0585      0.00000
     21      19.3323      0.00000
     22      19.6955      0.00000
     23      19.6955      0.00000
     24      20.4279      0.00000
     25      21.5964      0.00000
     26      22.3910      0.00000
     27      22.3910      0.00000
     28      22.8901      0.00000
     29      23.6461      0.00000
     30      23.6461      0.00000
     31      23.6930      0.00000
     32      23.9963      0.00000
     33      28.7612      0.00000
     34      29.5803      0.00000
     35      29.5803      0.00000
     36      30.1562      0.00000
     37      30.2808      0.00000
     38      30.7478      0.00000
     39      30.7478      0.00000
     40      31.0487      0.00000

 k-point    37 :       0.0667    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.6184      2.00000
      2      -3.9807      2.00000
      3      -3.9807      2.00000
      4      -3.9807      2.00000
      5      -1.8605      2.00000
      6      -1.8605      2.00000
      7      -1.8605      2.00000
      8       3.1096      2.00000
      9       3.1096      2.00000
     10       3.1096      2.00000
     11       3.5910      2.00000
     12       3.5910      2.00000
     13       3.5910      2.00000
     14       8.9897      2.00000
     15       9.6031      2.00000
     16       9.6031      2.00000
     17      14.5532      0.00000
     18      14.5532      0.00000
     19      14.5532      0.00000
     20      15.3875      0.00000
     21      15.3875      0.00000
     22      15.3875      0.00000
     23      15.7081      0.00000
     24      15.7081      0.00000
     25      15.9269      0.00000
     26      23.3967      0.00000
     27      26.3762      0.00000
     28      26.3762      0.00000
     29      26.3762      0.00000
     30      26.4698      0.00000
     31      26.4698      0.00000
     32      26.4698      0.00000
     33      29.4062      0.00000
     34      32.6008      0.00000
     35      32.6008      0.00000
     36      32.6008      0.00000
     37      33.2676      0.00000
     38      33.2676      0.00000
     39      33.2676      0.00000
     40      34.7263      0.00000

 k-point    38 :       0.1333    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.4950      2.00000
      2      -4.9785      2.00000
      3      -3.8917      2.00000
      4      -3.8917      2.00000
      5      -1.8074      2.00000
      6      -1.8074      2.00000
      7      -0.7625      2.00000
      8       2.6783      2.00000
      9       2.6783      2.00000
     10       3.2460      2.00000
     11       3.5694      2.00000
     12       3.5694      2.00000
     13       3.7106      2.00000
     14       8.4182      2.00000
     15       9.1691      2.00000
     16       9.5236      2.00000
     17      14.4082      0.00000
     18      14.8506      0.00000
     19      14.8506      0.00000
     20      15.6287      0.00000
     21      15.8168      0.00000
     22      16.0232      0.00000
     23      16.0232      0.00000
     24      16.2411      0.00000
     25      16.3678      0.00000
     26      23.4754      0.00000
     27      25.9835      0.00000
     28      26.0430      0.00000
     29      26.0430      0.00000
     30      26.0599      0.00000
     31      26.3237      0.00000
     32      26.3237      0.00000
     33      29.6029      0.00000
     34      32.1343      0.00000
     35      32.1343      0.00000
     36      32.4405      0.00000
     37      33.1539      0.00000
     38      33.2260      0.00000
     39      33.2260      0.00000
     40      33.2552      0.00000

 k-point    39 :       0.2000    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.2896      2.00000
      2      -5.9231      2.00000
      3      -3.7488      2.00000
      4      -3.7488      2.00000
      5      -1.7314      2.00000
      6      -1.7314      2.00000
      7       0.3387      2.00000
      8       2.2023      2.00000
      9       2.2023      2.00000
     10       3.3897      2.00000
     11       3.3897      2.00000
     12       3.4778      2.00000
     13       3.9090      2.00000
     14       7.7533      2.00000
     15       8.5790      2.00000
     16       9.2030      2.00000
     17      14.3165      0.00000
     18      15.4267      0.00000
     19      15.4267      0.00000
     20      15.4870      0.00000
     21      16.3817      0.00000
     22      16.9064      0.00000
     23      16.9064      0.00000
     24      16.9951      0.00000
     25      17.0465      0.00000
     26      23.4993      0.00000
     27      25.3808      0.00000
     28      25.4365      0.00000
     29      25.4624      0.00000
     30      25.4624      0.00000
     31      26.0654      0.00000
     32      26.0654      0.00000
     33      29.9141      0.00000
     34      31.5768      0.00000
     35      31.5768      0.00000
     36      31.6337      0.00000
     37      32.1663      0.00000
     38      33.0375      0.00000
     39      33.0375      0.00000
     40      33.2156      0.00000

 k-point    40 :       0.2667    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.0025      2.00000
      2      -6.8080      2.00000
      3      -3.5621      2.00000
      4      -3.5621      2.00000
      5      -1.6535      2.00000
      6      -1.6535      2.00000
      7       1.4192      2.00000
      8       1.7481      2.00000
      9       1.7481      2.00000
     10       3.1062      2.00000
     11       3.1062      2.00000
     12       3.8127      2.00000
     13       4.1847      2.00000
     14       7.0480      2.00000
     15       7.9226      2.00000
     16       8.6856      2.00000
     17      14.2886      0.00000
     18      15.3072      0.00000
     19      16.2475      0.00000
     20      16.2475      0.00000
     21      17.0696      0.00000
     22      17.8787      0.00000
     23      17.8809      0.00000
     24      17.9544      0.00000
     25      17.9544      0.00000
     26      23.3144      0.00000
     27      24.6220      0.00000
     28      24.6547      0.00000
     29      24.6547      0.00000
     30      24.6577      0.00000
     31      25.6411      0.00000
     32      25.6411      0.00000
     33      30.3128      0.00000
     34      30.4962      0.00000
     35      31.0070      0.00000
     36      31.0070      0.00000
     37      31.7973      0.00000
     38      32.7757      0.00000
     39      32.7757      0.00000
     40      33.1120      0.00000

 k-point    41 :       0.3333    0.0667    0.0667
  band No.  band energies     occupation 
      1     -10.6348      2.00000
      2      -7.6280      2.00000
      3      -3.3504      2.00000
      4      -3.3504      2.00000
      5      -1.6023      2.00000
      6      -1.6023      2.00000
      7       1.3783      2.00000
      8       1.3783      2.00000
      9       2.4449      2.00000
     10       2.7874      2.00000
     11       2.7874      2.00000
     12       4.2676      2.00000
     13       4.5358      2.00000
     14       6.3338      2.00000
     15       7.2549      2.00000
     16       8.0199      2.00000
     17      14.3214      0.00000
     18      15.1069      0.00000
     19      17.2514      0.00000
     20      17.2514      0.00000
     21      17.8785      0.00000
     22      18.8119      0.00000
     23      18.8345      0.00000
     24      19.0970      0.00000
     25      19.0970      0.00000
     26      22.7846      0.00000
     27      23.6721      0.00000
     28      23.6721      0.00000
     29      23.7553      0.00000
     30      23.7725      0.00000
     31      25.0030      0.00000
     32      25.0030      0.00000
     33      29.8814      0.00000
     34      30.5063      0.00000
     35      30.5063      0.00000
     36      30.7856      0.00000
     37      31.3608      0.00000
     38      32.5322      0.00000
     39      32.5322      0.00000
     40      32.9166      0.00000

 k-point    42 :       0.4000    0.0667    0.0667
  band No.  band energies     occupation 
      1     -10.1871      2.00000
      2      -8.3788      2.00000
      3      -3.1485      2.00000
      4      -3.1485      2.00000
      5      -1.5986      2.00000
      6      -1.5986      2.00000
      7       1.1386      2.00000
      8       1.1386      2.00000
      9       2.5052      2.00000
     10       2.5052      2.00000
     11       3.3738      2.00000
     12       4.8651      2.00000
     13       4.9588      2.00000
     14       5.6255      2.00000
     15       6.6083      2.00000
     16       7.2509      2.00000
     17      14.4082      0.00000
     18      14.9025      0.00000
     19      18.3632      0.00000
     20      18.3632      0.00000
     21      18.8016      0.00000
     22      19.7976      0.00000
     23      19.8276      0.00000
     24      20.2190      0.00000
     25      20.2190      0.00000
     26      21.9270      0.00000
     27      22.6447      0.00000
     28      22.6447      0.00000
     29      22.8178      0.00000
     30      22.8185      0.00000
     31      24.1440      0.00000
     32      24.1440      0.00000
     33      29.7782      0.00000
     34      30.1473      0.00000
     35      30.1473      0.00000
     36      30.8871      0.00000
     37      31.2829      0.00000
     38      32.3602      0.00000
     39      32.3602      0.00000
     40      32.6206      0.00000

 k-point    43 :       0.4667    0.0667    0.0667
  band No.  band energies     occupation 
      1      -9.6607      2.00000
      2      -9.0572      2.00000
      3      -3.0156      2.00000
      4      -3.0156      2.00000
      5      -1.6228      2.00000
      6      -1.6228      2.00000
      7       1.0328      2.00000
      8       1.0328      2.00000
      9       2.3348      2.00000
     10       2.3348      2.00000
     11       4.1866      2.00000
     12       4.9193      2.00000
     13       5.4497      2.00000
     14       5.6039      2.00000
     15       6.0023      2.00000
     16       6.4257      2.00000
     17      14.5408      0.00000
     18      14.7095      0.00000
     19      19.4302      0.00000
     20      19.4302      0.00000
     21      19.8198      0.00000
     22      20.7313      0.00000
     23      20.7313      0.00000
     24      20.7981      0.00000
     25      20.8348      0.00000
     26      20.9020      0.00000
     27      21.8236      0.00000
     28      21.8374      0.00000
     29      22.2305      0.00000
     30      22.2305      0.00000
     31      23.1435      0.00000
     32      23.1435      0.00000
     33      29.9653      0.00000
     34      29.9653      0.00000
     35      30.0110      0.00000
     36      30.4161      0.00000
     37      31.7770      0.00000
     38      32.2332      0.00000
     39      32.2743      0.00000
     40      32.2743      0.00000

 k-point    44 :       0.1333    0.1333    0.0667
  band No.  band energies     occupation 
      1     -11.3717      2.00000
      2      -4.8792      2.00000
      3      -4.8792      2.00000
      4      -3.8103      2.00000
      5      -1.7690      2.00000
      6      -0.7465      2.00000
      7      -0.7465      2.00000
      8       2.1341      2.00000
      9       2.8367      2.00000
     10       2.8367      2.00000
     11       3.6936      2.00000
     12       3.6936      2.00000
     13       3.7954      2.00000
     14       7.7972      2.00000
     15       8.8897      2.00000
     16       9.4701      2.00000
     17      14.7723      0.00000
     18      14.7723      0.00000
     19      14.8568      0.00000
     20      15.9281      0.00000
     21      16.3794      0.00000
     22      16.3794      0.00000
     23      16.3828      0.00000
     24      16.6746      0.00000
     25      16.8340      0.00000
     26      23.5759      0.00000
     27      25.5737      0.00000
     28      25.5737      0.00000
     29      25.7922      0.00000
     30      25.9784      0.00000
     31      25.9784      0.00000
     32      26.1579      0.00000
     33      29.7739      0.00000
     34      31.4541      0.00000
     35      32.1486      0.00000
     36      32.1486      0.00000
     37      32.9248      0.00000
     38      33.1126      0.00000
     39      33.1126      0.00000
     40      33.5094      0.00000

 k-point    45 :       0.2000    0.1333    0.0667
  band No.  band energies     occupation 
      1     -11.1665      2.00000
      2      -5.8170      2.00000
      3      -4.7172      2.00000
      4      -3.6840      2.00000
      5      -1.7218      2.00000
      6      -0.7416      2.00000
      7       0.2943      2.00000
      8       1.6154      2.00000
      9       2.3931      2.00000
     10       3.1105      2.00000
     11       3.5321      2.00000
     12       3.8405      2.00000
     13       3.9023      2.00000
     14       7.1057      2.00000
     15       8.3469      2.00000
     16       9.2743      2.00000
     17      14.7207      0.00000
     18      15.1700      0.00000
     19      15.3930      0.00000
     20      15.9038      0.00000
     21      16.8937      0.00000
     22      17.0030      0.00000
     23      17.2002      0.00000
     24      17.2064      0.00000
     25      17.8364      0.00000
     26      23.6361      0.00000
     27      24.8817      0.00000
     28      24.9144      0.00000
     29      25.2846      0.00000
     30      25.4026      0.00000
     31      25.8601      0.00000
     32      25.9223      0.00000
     33      30.0448      0.00000
     34      30.7587      0.00000
     35      31.6534      0.00000
     36      31.7441      0.00000
     37      32.0794      0.00000
     38      32.9304      0.00000
     39      32.9665      0.00000
     40      33.5716      0.00000

 k-point    46 :       0.2667    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.8799      2.00000
      2      -6.6971      2.00000
      3      -4.4982      2.00000
      4      -3.5318      2.00000
      5      -1.6893      2.00000
      6      -0.7810      2.00000
      7       1.1952      2.00000
      8       1.2763      2.00000
      9       1.9811      2.00000
     10       3.2882      2.00000
     11       3.5136      2.00000
     12       3.7281      2.00000
     13       4.2011      2.00000
     14       6.3891      2.00000
     15       7.7171      2.00000
     16       8.8641      2.00000
     17      14.7174      0.00000
     18      15.7501      0.00000
     19      15.7801      0.00000
     20      16.2398      0.00000
     21      17.5423      0.00000
     22      17.8514      0.00000
     23      17.8912      0.00000
     24      18.2085      0.00000
     25      18.9596      0.00000
     26      23.5009      0.00000
     27      23.9793      0.00000
     28      24.1303      0.00000
     29      24.5258      0.00000
     30      24.6510      0.00000
     31      25.5653      0.00000
     32      25.6484      0.00000
     33      30.1121      0.00000
     34      30.3899      0.00000
     35      30.6621      0.00000
     36      30.9830      0.00000
     37      31.8584      0.00000
     38      32.7732      0.00000
     39      32.8188      0.00000
     40      33.4251      0.00000

 k-point    47 :       0.3333    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.5128      2.00000
      2      -7.5136      2.00000
      3      -4.2328      2.00000
      4      -3.3931      2.00000
      5      -1.6838      2.00000
      6      -0.8995      2.00000
      7       0.9396      2.00000
      8       1.6448      2.00000
      9       2.1582      2.00000
     10       3.0447      2.00000
     11       3.5112      2.00000
     12       4.0464      2.00000
     13       4.6094      2.00000
     14       5.6742      2.00000
     15       7.0650      2.00000
     16       8.2741      2.00000
     17      14.7659      0.00000
     18      15.5610      0.00000
     19      16.6309      0.00000
     20      17.2576      0.00000
     21      18.3164      0.00000
     22      18.6970      0.00000
     23      18.7963      0.00000
     24      19.2943      0.00000
     25      20.1388      0.00000
     26      22.9564      0.00000
     27      23.0273      0.00000
     28      23.2676      0.00000
     29      23.5732      0.00000
     30      23.7781      0.00000
     31      25.0170      0.00000
     32      25.2818      0.00000
     33      29.5801      0.00000
     34      30.0484      0.00000
     35      30.2536      0.00000
     36      30.8127      0.00000
     37      31.4980      0.00000
     38      32.6436      0.00000
     39      32.6719      0.00000
     40      33.1693      0.00000

 k-point    48 :       0.4000    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.0659      2.00000
      2      -8.2619      2.00000
      3      -3.9395      2.00000
      4      -3.3366      2.00000
      5      -1.6659      2.00000
      6      -1.1030      2.00000
      7       0.8755      2.00000
      8       1.3806      2.00000
      9       2.8901      2.00000
     10       2.9279      2.00000
     11       3.2546      2.00000
     12       4.6446      2.00000
     13       4.9753      2.00000
     14       5.1792      2.00000
     15       6.4242      2.00000
     16       7.5525      2.00000
     17      14.8626      0.00000
     18      15.3623      0.00000
     19      17.6468      0.00000
     20      18.3712      0.00000
     21      19.2061      0.00000
     22      19.5753      0.00000
     23      19.7913      0.00000
     24      20.2390      0.00000
     25      21.2015      0.00000
     26      22.0629      0.00000
     27      22.2207      0.00000
     28      22.3590      0.00000
     29      22.6148      0.00000
     30      22.8272      0.00000
     31      24.2397      0.00000
     32      24.6897      0.00000
     33      29.2295      0.00000
     34      29.6291      0.00000
     35      29.9488      0.00000
     36      31.0559      0.00000
     37      31.2485      0.00000
     38      32.3989      0.00000
     39      32.6320      0.00000
     40      32.9241      0.00000

 k-point    49 :       0.4667    0.1333    0.0667
  band No.  band energies     occupation 
      1      -9.5406      2.00000
      2      -8.9385      2.00000
      3      -3.6519      2.00000
      4      -3.4276      2.00000
      5      -1.5576      2.00000
      6      -1.3478      2.00000
      7       0.9691      2.00000
      8       1.1547      2.00000
      9       2.8848      2.00000
     10       3.0241      2.00000
     11       3.6234      2.00000
     12       4.2954      2.00000
     13       5.2265      2.00000
     14       5.8112      2.00000
     15       5.9266      2.00000
     16       6.7496      2.00000
     17      15.0006      0.00000
     18      15.1710      0.00000
     19      18.7177      0.00000
     20      19.2958      0.00000
     21      20.1899      0.00000
     22      20.2907      0.00000
     23      20.4933      0.00000
     24      20.8046      0.00000
     25      20.9742      0.00000
     26      21.2319      0.00000
     27      21.4281      0.00000
     28      21.8307      0.00000
     29      22.2742      0.00000
     30      22.8423      0.00000
     31      23.2877      0.00000
     32      23.8512      0.00000
     33      29.1061      0.00000
     34      29.2346      0.00000
     35      30.1865      0.00000
     36      30.5937      0.00000
     37      31.6799      0.00000
     38      32.0729      0.00000
     39      32.6556      0.00000
     40      32.7500      0.00000

 k-point    50 :       0.2000    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.9618      2.00000
      2      -5.6423      2.00000
      3      -5.6423      2.00000
      4      -3.5952      2.00000
      5      -1.7264      2.00000
      6       0.1888      2.00000
      7       0.1888      2.00000
      8       1.1287      2.00000
      9       2.7218      2.00000
     10       2.7218      2.00000
     11       3.7809      2.00000
     12       3.7809      2.00000
     13       4.1289      2.00000
     14       6.4014      2.00000
     15       7.8488      2.00000
     16       9.2314      2.00000
     17      15.2106      0.00000
     18      15.3774      0.00000
     19      15.3774      0.00000
     20      16.2981      0.00000
     21      17.2033      0.00000
     22      17.5071      0.00000
     23      17.6650      0.00000
     24      17.6650      0.00000
     25      18.9132      0.00000
     26      23.7590      0.00000
     27      24.1634      0.00000
     28      24.1634      0.00000
     29      24.9129      0.00000
     30      25.3731      0.00000
     31      25.3731      0.00000
     32      25.6984      0.00000
     33      29.9538      0.00000
     34      30.2539      0.00000
     35      31.5297      0.00000
     36      31.7441      0.00000
     37      31.7441      0.00000
     38      32.7357      0.00000
     39      32.7357      0.00000
     40      33.3020      0.00000

 k-point    51 :       0.2667    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.6761      2.00000
      2      -6.5138      2.00000
      3      -5.4030      2.00000
      4      -3.5231      2.00000
      5      -1.7538      2.00000
      6      -0.0103      2.00000
      7       0.8179      2.00000
      8       1.0169      2.00000
      9       2.3580      2.00000
     10       3.1821      2.00000
     11       3.6215      2.00000
     12       4.1622      2.00000
     13       4.2367      2.00000
     14       5.6820      2.00000
     15       7.2496      2.00000
     16       8.9694      2.00000
     17      15.3984      0.00000
     18      15.5711      0.00000
     19      16.2481      0.00000
     20      16.3423      0.00000
     21      17.8653      0.00000
     22      17.9669      0.00000
     23      18.2612      0.00000
     24      18.6082      0.00000
     25      20.0768      0.00000
     26      23.2287      0.00000
     27      23.3687      0.00000
     28      23.7157      0.00000
     29      24.2798      0.00000
     30      24.6635      0.00000
     31      25.3119      0.00000
     32      25.3999      0.00000
     33      29.2241      0.00000
     34      30.5220      0.00000
     35      30.7812      0.00000
     36      31.0482      0.00000
     37      31.7689      0.00000
     38      32.4773      0.00000
     39      32.6650      0.00000
     40      33.4910      0.00000

 k-point    52 :       0.3333    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.3099      2.00000
      2      -7.3241      2.00000
      3      -5.1052      2.00000
      4      -3.5401      2.00000
      5      -1.7580      2.00000
      6      -0.3103      2.00000
      7       0.7212      2.00000
      8       1.7333      2.00000
      9       2.0198      2.00000
     10       3.5158      2.00000
     11       3.7190      2.00000
     12       4.1872      2.00000
     13       4.7157      2.00000
     14       4.9720      2.00000
     15       6.6191      2.00000
     16       8.4958      2.00000
     17      15.4618      0.00000
     18      16.2157      0.00000
     19      16.2208      0.00000
     20      17.2788      0.00000
     21      18.5608      0.00000
     22      18.7682      0.00000
     23      18.9826      0.00000
     24      19.5933      0.00000
     25      21.2605      0.00000
     26      22.2477      0.00000
     27      22.5368      0.00000
     28      23.3529      0.00000
     29      23.4076      0.00000
     30      23.8021      0.00000
     31      24.9739      0.00000
     32      25.1849      0.00000
     33      28.6293      0.00000
     34      30.1493      0.00000
     35      30.2249      0.00000
     36      30.8542      0.00000
     37      31.6128      0.00000
     38      32.2356      0.00000
     39      32.6842      0.00000
     40      33.7066      0.00000

 k-point    53 :       0.4000    0.2000    0.0667
  band No.  band energies     occupation 
      1      -9.8643      2.00000
      2      -8.0679      2.00000
      3      -4.7600      2.00000
      4      -3.7113      2.00000
      5      -1.6497      2.00000
      6      -0.6782      2.00000
      7       0.8147      2.00000
      8       1.6822      2.00000
      9       2.3761      2.00000
     10       3.5237      2.00000
     11       4.0314      2.00000
     12       4.2658      2.00000
     13       4.2851      2.00000
     14       5.4419      2.00000
     15       5.9931      2.00000
     16       7.8524      2.00000
     17      15.5658      0.00000
     18      16.0451      0.00000
     19      17.0946      0.00000
     20      18.3891      0.00000
     21      19.2560      0.00000
     22      19.7606      0.00000
     23      19.8130      0.00000
     24      20.1114      0.00000
     25      21.6970      0.00000
     26      21.7607      0.00000
     27      22.0045      0.00000
     28      22.6508      0.00000
     29      22.7618      0.00000
     30      22.8456      0.00000
     31      24.3391      0.00000
     32      24.9247      0.00000
     33      28.2547      0.00000
     34      29.2439      0.00000
     35      30.1355      0.00000
     36      31.1929      0.00000
     37      31.2497      0.00000
     38      32.0383      0.00000
     39      32.7497      0.00000
     40      33.3425      0.00000

 k-point    54 :       0.4667    0.2000    0.0667
  band No.  band energies     occupation 
      1      -9.3408      2.00000
      2      -8.7412      2.00000
      3      -4.3863      2.00000
      4      -4.0175      2.00000
      5      -1.4028      2.00000
      6      -1.0607      2.00000
      7       1.0411      2.00000
      8       1.3454      2.00000
      9       2.9962      2.00000
     10       3.6274      2.00000
     11       3.6428      2.00000
     12       3.8303      2.00000
     13       4.8167      2.00000
     14       5.3903      2.00000
     15       6.2634      2.00000
     16       7.0897      2.00000
     17      15.7044      0.00000
     18      15.8684      0.00000
     19      18.1007      0.00000
     20      18.9875      0.00000
     21      19.9799      0.00000
     22      20.0165      0.00000
     23      20.6310      0.00000
     24      20.7845      0.00000
     25      20.9625      0.00000
     26      21.0214      0.00000
     27      21.7519      0.00000
     28      21.8393      0.00000
     29      22.4806      0.00000
     30      23.4547      0.00000
     31      23.6469      0.00000
     32      24.4270      0.00000
     33      28.2014      0.00000
     34      28.5399      0.00000
     35      30.3842      0.00000
     36      30.8002      0.00000
     37      31.5218      0.00000
     38      31.8094      0.00000
     39      32.8645      0.00000
     40      33.0533      0.00000

 k-point    55 :       0.2667    0.2667    0.0667
  band No.  band energies     occupation 
      1     -10.3914      2.00000
      2      -6.2606      2.00000
      3      -6.2606      2.00000
      4      -3.6089      2.00000
      5      -1.7970      2.00000
      6       0.6457      2.00000
      7       0.6457      2.00000
      8       0.6644      2.00000
      9       2.8231      2.00000
     10       2.8231      2.00000
     11       4.1449      2.00000
     12       4.1449      2.00000
     13       4.5809      2.00000
     14       4.9663      2.00000
     15       6.6770      2.00000
     16       8.8728      2.00000
     17      15.6675      0.00000
     18      16.2854      0.00000
     19      16.2854      0.00000
     20      16.8202      0.00000
     21      18.1164      0.00000
     22      18.1566      0.00000
     23      19.1332      0.00000
     24      19.1332      0.00000
     25      21.2506      0.00000
     26      22.4585      0.00000
     27      22.4585      0.00000
     28      23.8189      0.00000
     29      23.8407      0.00000
     30      24.6776      0.00000
     31      24.6776      0.00000
     32      25.1384      0.00000
     33      28.4291      0.00000
     34      30.5826      0.00000
     35      30.7005      0.00000
     36      31.1808      0.00000
     37      31.1808      0.00000
     38      32.4184      0.00000
     39      32.4184      0.00000
     40      33.0653      0.00000

 k-point    56 :       0.3333    0.2667    0.0667
  band No.  band energies     occupation 
      1     -10.0267      2.00000
      2      -7.0613      2.00000
      3      -5.9418      2.00000
      4      -3.8546      2.00000
      5      -1.7237      2.00000
      6       0.1986      2.00000
      7       0.7164      2.00000
      8       1.2254      2.00000
      9       2.4293      2.00000
     10       3.3100      2.00000
     11       4.1987      2.00000
     12       4.2645      2.00000
     13       4.7445      2.00000
     14       4.8562      2.00000
     15       6.0686      2.00000
     16       8.5501      2.00000
     17      16.0743      0.00000
     18      16.3562      0.00000
     19      16.9385      0.00000
     20      17.3224      0.00000
     21      18.4733      0.00000
     22      18.8127      0.00000
     23      19.7548      0.00000
     24      19.9214      0.00000
     25      21.6488      0.00000
     26      21.7156      0.00000
     27      22.3997      0.00000
     28      23.1416      0.00000
     29      23.6480      0.00000
     30      23.8395      0.00000
     31      24.6859      0.00000
     32      24.8066      0.00000
     33      27.7890      0.00000
     34      30.2455      0.00000
     35      30.2632      0.00000
     36      30.9057      0.00000
     37      31.2962      0.00000
     38      32.0525      0.00000
     39      32.5039      0.00000
     40      33.3971      0.00000

 k-point    57 :       0.4000    0.2667    0.0667
  band No.  band energies     occupation 
      1      -9.5832      2.00000
      2      -7.7983      2.00000
      3      -5.5643      2.00000
      4      -4.2381      2.00000
      5      -1.5008      2.00000
      6      -0.2774      2.00000
      7       0.9208      2.00000
      8       1.7817      2.00000
      9       2.0135      2.00000
     10       3.5904      2.00000
     11       3.8053      2.00000
     12       4.3229      2.00000
     13       4.7497      2.00000
     14       5.4616      2.00000
     15       5.6821      2.00000
     16       8.0221      2.00000
     17      16.4587      0.00000
     18      16.7536      0.00000
     19      16.8604      0.00000
     20      18.4186      0.00000
     21      18.9183      0.00000
     22      19.7525      0.00000
     23      19.7536      0.00000
     24      20.3122      0.00000
     25      21.1648      0.00000
     26      21.8483      0.00000
     27      22.1169      0.00000
     28      22.8818      0.00000
     29      23.1363      0.00000
     30      23.4877      0.00000
     31      24.3661      0.00000
     32      24.6694      0.00000
     33      27.4108      0.00000
     34      29.2210      0.00000
     35      30.2037      0.00000
     36      31.1167      0.00000
     37      31.2763      0.00000
     38      31.6570      0.00000
     39      32.6197      0.00000
     40      33.4580      0.00000

 k-point    58 :       0.4667    0.2667    0.0667
  band No.  band energies     occupation 
      1      -9.0625      2.00000
      2      -8.4666      2.00000
      3      -5.1392      2.00000
      4      -4.6858      2.00000
      5      -1.1606      2.00000
      6      -0.7418      2.00000
      7       1.2285      2.00000
      8       1.6030      2.00000
      9       2.3512      2.00000
     10       2.9521      2.00000
     11       4.3244      2.00000
     12       4.4860      2.00000
     13       4.6452      2.00000
     14       4.8769      2.00000
     15       6.5320      2.00000
     16       7.3319      2.00000
     17      16.5862      0.00000
     18      16.7271      0.00000
     19      17.6316      0.00000
     20      18.5712      0.00000
     21      19.4610      0.00000
     22      19.8478      0.00000
     23      20.0469      0.00000
     24      20.7732      0.00000
     25      20.9917      0.00000
     26      21.5001      0.00000
     27      21.9167      0.00000
     28      22.3943      0.00000
     29      22.7679      0.00000
     30      23.6522      0.00000
     31      24.2539      0.00000
     32      24.5719      0.00000
     33      27.5285      0.00000
     34      28.2215      0.00000
     35      30.4866      0.00000
     36      30.9294      0.00000
     37      31.3049      0.00000
     38      31.4534      0.00000
     39      32.7760      0.00000
     40      33.0293      0.00000

 k-point    59 :       0.3333    0.3333    0.0667
  band No.  band energies     occupation 
      1      -9.6641      2.00000
      2      -6.7282      2.00000
      3      -6.7282      2.00000
      4      -4.3119      2.00000
      5      -1.5411      2.00000
      6       0.6823      2.00000
      7       0.6823      2.00000
      8       0.8748      2.00000
      9       2.8534      2.00000
     10       2.8534      2.00000
     11       3.5732      2.00000
     12       5.0196      2.00000
     13       5.0196      2.00000
     14       5.1351      2.00000
     15       5.4806      2.00000
     16       8.3917      2.00000
     17      16.2231      0.00000
     18      17.3903      0.00000
     19      17.3903      0.00000
     20      17.4940      0.00000
     21      18.4859      0.00000
     22      19.1171      0.00000
     23      20.0331      0.00000
     24      20.0331      0.00000
     25      21.4155      0.00000
     26      21.4155      0.00000
     27      22.6711      0.00000
     28      23.4402      0.00000
     29      23.7570      0.00000
     30      23.8974      0.00000
     31      23.8974      0.00000
     32      24.5418      0.00000
     33      27.1828      0.00000
     34      30.0977      0.00000
     35      30.4957      0.00000
     36      30.4957      0.00000
     37      30.9674      0.00000
     38      32.1347      0.00000
     39      32.1347      0.00000
     40      33.3507      0.00000

 k-point    60 :       0.4000    0.3333    0.0667
  band No.  band energies     occupation 
      1      -9.2235      2.00000
      2      -7.4551      2.00000
      3      -6.3294      2.00000
      4      -4.8360      2.00000
      5      -1.2358      2.00000
      6       0.1404      2.00000
      7       1.1494      2.00000
      8       1.1807      2.00000
      9       2.3827      2.00000
     10       2.9125      2.00000
     11       3.3053      2.00000
     12       4.8926      2.00000
     13       5.1855      2.00000
     14       5.3439      2.00000
     15       5.8838      2.00000
     16       8.0145      2.00000
     17      16.6644      0.00000
     18      17.4789      0.00000
     19      17.6865      0.00000
     20      18.4551      0.00000
     21      18.6299      0.00000
     22      19.3176      0.00000
     23      19.7243      0.00000
     24      19.8393      0.00000
     25      21.7372      0.00000
     26      21.9167      0.00000
     27      22.1757      0.00000
     28      22.9623      0.00000
     29      23.5525      0.00000
     30      23.8798      0.00000
     31      23.9925      0.00000
     32      24.5082      0.00000
     33      26.9857      0.00000
     34      29.5125      0.00000
     35      30.1048      0.00000
     36      30.7227      0.00000
     37      31.0161      0.00000
     38      31.6215      0.00000
     39      32.2257      0.00000
     40      33.0436      0.00000

 k-point    61 :       0.4667    0.3333    0.0667
  band No.  band energies     occupation 
      1      -8.7067      2.00000
      2      -8.1162      2.00000
      3      -5.8720      2.00000
      4      -5.3677      2.00000
      5      -0.8391      2.00000
      6      -0.3738      2.00000
      7       1.5078      2.00000
      8       1.7143      2.00000
      9       1.9262      2.00000
     10       2.2914      2.00000
     11       3.7958      2.00000
     12       4.3268      2.00000
     13       5.3231      2.00000
     14       5.3918      2.00000
     15       6.7122      2.00000
     16       7.4407      2.00000
     17      17.3540      0.00000
     18      17.5780      0.00000
     19      17.6654      0.00000
     20      18.2027      0.00000
     21      18.9061      0.00000
     22      19.2899      0.00000
     23      19.7891      0.00000
     24      20.7998      0.00000
     25      20.9081      0.00000
     26      21.7783      0.00000
     27      22.4925      0.00000
     28      23.0382      0.00000
     29      23.0631      0.00000
     30      23.6242      0.00000
     31      24.1675      0.00000
     32      24.4493      0.00000
     33      27.4906      0.00000
     34      28.4569      0.00000
     35      30.4232      0.00000
     36      30.8131      0.00000
     37      31.0261      0.00000
     38      31.1027      0.00000
     39      32.3396      0.00000
     40      32.5725      0.00000

 k-point    62 :       0.4000    0.4000    0.0667
  band No.  band energies     occupation 
      1      -8.7869      2.00000
      2      -7.0417      2.00000
      3      -7.0417      2.00000
      4      -5.4439      2.00000
      5      -0.8785      2.00000
      6       0.5977      2.00000
      7       0.5977      2.00000
      8       1.4703      2.00000
      9       2.2660      2.00000
     10       2.7990      2.00000
     11       2.7990      2.00000
     12       4.3229      2.00000
     13       5.7683      2.00000
     14       6.0272      2.00000
     15       6.0273      2.00000
     16       7.8041      2.00000
     17      16.8510      0.00000
     18      18.3137      0.00000
     19      18.4477      0.00000
     20      18.4798      0.00000
     21      18.4798      0.00000
     22      18.9465      0.00000
     23      18.9465      0.00000
     24      20.1936      0.00000
     25      21.4824      0.00000
     26      22.4851      0.00000
     27      22.4851      0.00000
     28      23.2115      0.00000
     29      23.2115      0.00000
     30      23.5106      0.00000
     31      23.7430      0.00000
     32      24.7281      0.00000
     33      27.2658      0.00000
     34      29.9214      0.00000
     35      29.9214      0.00000
     36      30.0656      0.00000
     37      30.8697      0.00000
     38      31.6199      0.00000
     39      31.6199      0.00000
     40      32.3563      0.00000

 k-point    63 :       0.4667    0.4000    0.0667
  band No.  band energies     occupation 
      1      -8.2756      2.00000
      2      -7.6925      2.00000
      3      -6.5629      2.00000
      4      -6.0263      2.00000
      5      -0.4453      2.00000
      6       0.0509      2.00000
      7       1.1039      2.00000
      8       1.6609      2.00000
      9       1.8632      2.00000
     10       2.3116      2.00000
     11       3.2644      2.00000
     12       3.7752      2.00000
     13       6.0080      2.00000
     14       6.0818      2.00000
     15       6.7796      2.00000
     16       7.3859      2.00000
     17      17.3041      0.00000
     18      17.9717      0.00000
     19      18.3949      0.00000
     20      18.4485      0.00000
     21      18.6026      0.00000
     22      18.7271      0.00000
     23      19.7333      0.00000
     24      20.7289      0.00000
     25      20.9365      0.00000
     26      21.8758      0.00000
     27      22.8607      0.00000
     28      23.1295      0.00000
     29      23.2824      0.00000
     30      23.6222      0.00000
     31      23.8334      0.00000
     32      24.4493      0.00000
     33      28.0650      0.00000
     34      29.0085      0.00000
     35      30.3050      0.00000
     36      30.3231      0.00000
     37      30.6632      0.00000
     38      30.9406      0.00000
     39      31.6464      0.00000
     40      31.8551      0.00000

 k-point    64 :       0.4667    0.4667    0.0667
  band No.  band energies     occupation 
      1      -7.7717      2.00000
      2      -7.1989      2.00000
      3      -7.1989      2.00000
      4      -6.6409      2.00000
      5       0.0145      2.00000
      6       0.5337      2.00000
      7       0.5337      2.00000
      8       1.0722      2.00000
      9       2.2825      2.00000
     10       2.7541      2.00000
     11       2.7541      2.00000
     12       3.2456      2.00000
     13       6.4501      2.00000
     14       6.7025      2.00000
     15       6.7025      2.00000
     16       7.1427      2.00000
     17      17.4992      0.00000
     18      17.9239      0.00000
     19      17.9239      0.00000
     20      18.0762      0.00000
     21      19.2670      0.00000
     22      19.6066      0.00000
     23      19.6066      0.00000
     24      20.3333      0.00000
     25      21.3350      0.00000
     26      22.0682      0.00000
     27      22.0682      0.00000
     28      22.4876      0.00000
     29      23.9274      0.00000
     30      23.9385      0.00000
     31      23.9385      0.00000
     32      24.3276      0.00000
     33      28.8490      0.00000
     34      29.6255      0.00000
     35      29.6255      0.00000
     36      30.1888      0.00000
     37      30.4581      0.00000
     38      30.9352      0.00000
     39      30.9352      0.00000
     40      31.2358      0.00000

 k-point    65 :       0.1333    0.1333    0.1333
  band No.  band energies     occupation 
      1     -11.2486      2.00000
      2      -4.7838      2.00000
      3      -4.7838      2.00000
      4      -4.7838      2.00000
      5      -0.7654      2.00000
      6      -0.7654      2.00000
      7      -0.7654      2.00000
      8       2.3414      2.00000
      9       2.3414      2.00000
     10       2.3414      2.00000
     11       3.9121      2.00000
     12       3.9121      2.00000
     13       3.9121      2.00000
     14       7.1313      2.00000
     15       9.0888      2.00000
     16       9.0888      2.00000
     17      14.8604      0.00000
     18      14.8604      0.00000
     19      14.8604      0.00000
     20      16.3864      0.00000
     21      16.3864      0.00000
     22      16.8385      0.00000
     23      17.1034      0.00000
     24      17.1034      0.00000
     25      17.1034      0.00000
     26      23.6985      0.00000
     27      25.4011      0.00000
     28      25.4011      0.00000
     29      25.4011      0.00000
     30      25.6986      0.00000
     31      25.6986      0.00000
     32      25.6986      0.00000
     33      29.9162      0.00000
     34      31.5979      0.00000
     35      31.5979      0.00000
     36      31.5979      0.00000
     37      33.1973      0.00000
     38      33.1973      0.00000
     39      33.3378      0.00000
     40      33.3378      0.00000

 k-point    66 :       0.2000    0.1333    0.1333
  band No.  band energies     occupation 
      1     -11.0437      2.00000
      2      -5.7130      2.00000
      3      -4.6296      2.00000
      4      -4.6296      2.00000
      5      -0.8315      2.00000
      6      -0.8315      2.00000
      7       0.1796      2.00000
      8       1.9021      2.00000
      9       1.9021      2.00000
     10       2.7145      2.00000
     11       3.9605      2.00000
     12       3.9605      2.00000
     13       4.1056      2.00000
     14       6.4118      2.00000
     15       8.5563      2.00000
     16       9.0384      2.00000
     17      14.8841      0.00000
     18      15.2105      0.00000
     19      15.2105      0.00000
     20      16.2799      0.00000
     21      17.0474      0.00000
     22      17.2529      0.00000
     23      17.5341      0.00000
     24      18.0588      0.00000
     25      18.0588      0.00000
     26      23.7943      0.00000
     27      24.8066      0.00000
     28      24.8066      0.00000
     29      24.8079      0.00000
     30      25.0274      0.00000
     31      25.5426      0.00000
     32      25.5426      0.00000
     33      30.1437      0.00000
     34      30.9746      0.00000
     35      30.9746      0.00000
     36      31.7278      0.00000
     37      31.9379      0.00000
     38      33.0807      0.00000
     39      33.4087      0.00000
     40      33.4087      0.00000

 k-point    67 :       0.2667    0.1333    0.1333
  band No.  band energies     occupation 
      1     -10.7576      2.00000
      2      -6.5875      2.00000
      3      -4.4261      2.00000
      4      -4.4261      2.00000
      5      -0.9843      2.00000
      6      -0.9843      2.00000
      7       1.0155      2.00000
      8       1.5966      2.00000
      9       1.5966      2.00000
     10       3.2827      2.00000
     11       3.8628      2.00000
     12       3.8628      2.00000
     13       4.3740      2.00000
     14       5.6806      2.00000
     15       7.9507      2.00000
     16       8.7341      2.00000
     17      14.9398      0.00000
     18      15.8368      0.00000
     19      15.8368      0.00000
     20      16.1151      0.00000
     21      17.8336      0.00000
     22      17.8694      0.00000
     23      18.1120      0.00000
     24      19.1469      0.00000
     25      19.1469      0.00000
     26      23.7078      0.00000
     27      23.9350      0.00000
     28      23.9350      0.00000
     29      24.0712      0.00000
     30      24.2179      0.00000
     31      25.3809      0.00000
     32      25.3809      0.00000
     33      30.2870      0.00000
     34      30.2870      0.00000
     35      30.4327      0.00000
     36      30.8754      0.00000
     37      31.7437      0.00000
     38      32.7839      0.00000
     39      33.3412      0.00000
     40      33.3412      0.00000

 k-point    68 :       0.3333    0.1333    0.1333
  band No.  band energies     occupation 
      1     -10.3910      2.00000
      2      -7.4001      2.00000
      3      -4.1915      2.00000
      4      -4.1915      2.00000
      5      -1.2298      2.00000
      6      -1.2298      2.00000
      7       1.4569      2.00000
      8       1.4569      2.00000
      9       1.7291      2.00000
     10       3.6772      2.00000
     11       3.6772      2.00000
     12       4.0382      2.00000
     13       4.7152      2.00000
     14       4.9619      2.00000
     15       7.3246      2.00000
     16       8.2125      2.00000
     17      15.0329      0.00000
     18      15.9208      0.00000
     19      16.6921      0.00000
     20      16.6921      0.00000
     21      18.6379      0.00000
     22      18.6933      0.00000
     23      18.8265      0.00000
     24      20.2758      0.00000
     25      20.2758      0.00000
     26      22.9296      0.00000
     27      22.9296      0.00000
     28      23.2414      0.00000
     29      23.2905      0.00000
     30      23.3229      0.00000
     31      25.1069      0.00000
     32      25.1069      0.00000
     33      29.5743      0.00000
     34      29.5743      0.00000
     35      30.2448      0.00000
     36      30.8201      0.00000
     37      31.5703      0.00000
     38      32.5009      0.00000
     39      33.2097      0.00000
     40      33.2097      0.00000

 k-point    69 :       0.4000    0.1333    0.1333
  band No.  band energies     occupation 
      1      -9.9448      2.00000
      2      -8.1456      2.00000
      3      -3.9628      2.00000
      4      -3.9628      2.00000
      5      -1.5047      2.00000
      6      -1.5047      2.00000
      7       1.4416      2.00000
      8       1.4416      2.00000
      9       2.3649      2.00000
     10       3.4793      2.00000
     11       3.4793      2.00000
     12       4.2695      2.00000
     13       4.9136      2.00000
     14       5.1254      2.00000
     15       6.7113      2.00000
     16       7.5227      2.00000
     17      15.1627      0.00000
     18      15.7151      0.00000
     19      17.7001      0.00000
     20      17.7001      0.00000
     21      19.5103      0.00000
     22      19.5941      0.00000
     23      19.6641      0.00000
     24      21.0429      0.00000
     25      21.0429      0.00000
     26      22.2179      0.00000
     27      22.2179      0.00000
     28      22.3559      0.00000
     29      22.3783      0.00000
     30      22.5374      0.00000
     31      24.6318      0.00000
     32      24.6318      0.00000
     33      28.9600      0.00000
     34      28.9600      0.00000
     35      30.1494      0.00000
     36      31.1984      0.00000
     37      31.2198      0.00000
     38      32.2320      0.00000
     39      33.0922      0.00000
     40      33.0922      0.00000

 k-point    70 :       0.4667    0.1333    0.1333
  band No.  band energies     occupation 
      1      -9.4207      2.00000
      2      -8.8202      2.00000
      3      -3.8087      2.00000
      4      -3.8087      2.00000
      5      -1.6957      2.00000
      6      -1.6957      2.00000
      7       1.4678      2.00000
      8       1.4678      2.00000
      9       2.9797      2.00000
     10       3.3494      2.00000
     11       3.3494      2.00000
     12       3.6096      2.00000
     13       5.5999      2.00000
     14       5.8264      2.00000
     15       6.1318      2.00000
     16       6.7123      2.00000
     17      15.3250      0.00000
     18      15.5124      0.00000
     19      18.6989      0.00000
     20      18.6989      0.00000
     21      20.3988      0.00000
     22      20.3988      0.00000
     23      20.4442      0.00000
     24      20.5153      0.00000
     25      20.5999      0.00000
     26      21.4129      0.00000
     27      21.4410      0.00000
     28      21.5925      0.00000
     29      22.9304      0.00000
     30      22.9304      0.00000
     31      23.8954      0.00000
     32      23.8954      0.00000
     33      28.6059      0.00000
     34      28.6059      0.00000
     35      30.3883      0.00000
     36      30.7890      0.00000
     37      31.5800      0.00000
     38      31.9306      0.00000
     39      33.0284      0.00000
     40      33.0284      0.00000

 k-point    71 :       0.2000    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.8393      2.00000
      2      -5.5427      2.00000
      3      -5.5427      2.00000
      4      -4.4924      2.00000
      5      -1.0233      2.00000
      6      -0.0518      2.00000
      7      -0.0518      2.00000
      8       1.5577      2.00000
      9       2.4112      2.00000
     10       2.4112      2.00000
     11       4.1615      2.00000
     12       4.1615      2.00000
     13       4.2404      2.00000
     14       5.6751      2.00000
     15       8.2693      2.00000
     16       8.9282      2.00000
     17      15.2805      0.00000
     18      15.2805      0.00000
     19      15.2808      0.00000
     20      16.6419      0.00000
     21      17.2043      0.00000
     22      17.4973      0.00000
     23      18.4261      0.00000
     24      18.4261      0.00000
     25      19.0981      0.00000
     26      23.9507      0.00000
     27      24.1411      0.00000
     28      24.1411      0.00000
     29      24.5264      0.00000
     30      24.9417      0.00000
     31      24.9417      0.00000
     32      25.1574      0.00000
     33      30.2936      0.00000
     34      30.3072      0.00000
     35      31.2271      0.00000
     36      31.2271      0.00000
     37      31.8464      0.00000
     38      33.0757      0.00000
     39      33.1412      0.00000
     40      33.1412      0.00000

 k-point    72 :       0.2667    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.5540      2.00000
      2      -6.4067      2.00000
      3      -5.3113      2.00000
      4      -4.3233      2.00000
      5      -1.3216      2.00000
      6      -0.4075      2.00000
      7       0.5982      2.00000
      8       1.4129      2.00000
      9       2.2396      2.00000
     10       3.1278      2.00000
     11       4.0967      2.00000
     12       4.3497      2.00000
     13       4.4482      2.00000
     14       4.9358      2.00000
     15       7.7355      2.00000
     16       8.7288      2.00000
     17      15.3816      0.00000
     18      15.6533      0.00000
     19      15.9293      0.00000
     20      16.6188      0.00000
     21      17.8186      0.00000
     22      17.9301      0.00000
     23      18.9344      0.00000
     24      19.4583      0.00000
     25      20.2332      0.00000
     26      23.2197      0.00000
     27      23.3697      0.00000
     28      23.8170      0.00000
     29      23.9520      0.00000
     30      24.1798      0.00000
     31      24.9079      0.00000
     32      24.9415      0.00000
     33      29.6029      0.00000
     34      30.5239      0.00000
     35      30.5549      0.00000
     36      31.0776      0.00000
     37      31.4238      0.00000
     38      32.7874      0.00000
     39      33.1513      0.00000
     40      33.4321      0.00000

 k-point    73 :       0.3333    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.1885      2.00000
      2      -7.2122      2.00000
      3      -5.0285      2.00000
      4      -4.1610      2.00000
      5      -1.6523      2.00000
      6      -0.8423      2.00000
      7       1.1661      2.00000
      8       1.4428      2.00000
      9       2.1583      2.00000
     10       3.9587      2.00000
     11       3.9793      2.00000
     12       4.2161      2.00000
     13       4.3115      2.00000
     14       4.8383      2.00000
     15       7.1454      2.00000
     16       8.3138      2.00000
     17      15.5134      0.00000
     18      16.3047      0.00000
     19      16.4573      0.00000
     20      16.7907      0.00000
     21      18.5206      0.00000
     22      18.6298      0.00000
     23      19.5770      0.00000
     24      20.4787      0.00000
     25      21.3644      0.00000
     26      22.2588      0.00000
     27      22.5438      0.00000
     28      22.8711      0.00000
     29      23.3135      0.00000
     30      23.6421      0.00000
     31      24.7601      0.00000
     32      24.8418      0.00000
     33      28.8982      0.00000
     34      29.7264      0.00000
     35      30.4809      0.00000
     36      30.8346      0.00000
     37      31.4889      0.00000
     38      32.3867      0.00000
     39      33.1472      0.00000
     40      33.7235      0.00000

 k-point    74 :       0.4000    0.2000    0.1333
  band No.  band energies     occupation 
      1      -9.7438      2.00000
      2      -7.9527      2.00000
      3      -4.7129      2.00000
      4      -4.0793      2.00000
      5      -1.8838      2.00000
      6      -1.2857      2.00000
      7       1.5849      2.00000
      8       1.7138      2.00000
      9       2.0857      2.00000
     10       3.5295      2.00000
     11       3.8962      2.00000
     12       4.1801      2.00000
     13       4.7506      2.00000
     14       5.3927      2.00000
     15       6.5495      2.00000
     16       7.7084      2.00000
     17      15.6736      0.00000
     18      16.2613      0.00000
     19      17.1701      0.00000
     20      17.7851      0.00000
     21      19.2281      0.00000
     22      19.5208      0.00000
     23      20.3384      0.00000
     24      20.6088      0.00000
     25      21.5141      0.00000
     26      21.6978      0.00000
     27      22.1579      0.00000
     28      22.3879      0.00000
     29      22.7382      0.00000
     30      22.9942      0.00000
     31      24.4636      0.00000
     32      24.6889      0.00000
     33      28.2714      0.00000
     34      28.8561      0.00000
     35      30.3928      0.00000
     36      31.1239      0.00000
     37      31.3525      0.00000
     38      32.0125      0.00000
     39      33.1619      0.00000
     40      33.5115      0.00000

 k-point    75 :       0.4667    0.2000    0.1333
  band No.  band energies     occupation 
      1      -9.2216      2.00000
      2      -8.6236      2.00000
      3      -4.4009      2.00000
      4      -4.1614      2.00000
      5      -1.8917      2.00000
      6      -1.6641      2.00000
      7       1.7764      2.00000
      8       1.9587      2.00000
      9       2.2804      2.00000
     10       2.8837      2.00000
     11       3.9111      2.00000
     12       4.0236      2.00000
     13       5.3907      2.00000
     14       5.9670      2.00000
     15       6.1504      2.00000
     16       6.9643      2.00000
     17      15.8572      0.00000
     18      16.0565      0.00000
     19      18.1354      0.00000
     20      18.6249      0.00000
     21      19.8898      0.00000
     22      20.0105      0.00000
     23      20.4547      0.00000
     24      20.4572      0.00000
     25      20.8204      0.00000
     26      21.1829      0.00000
     27      21.4804      0.00000
     28      22.1423      0.00000
     29      23.0657      0.00000
     30      23.6117      0.00000
     31      23.9570      0.00000
     32      24.3428      0.00000
     33      27.9578      0.00000
     34      28.1747      0.00000
     35      30.6314      0.00000
     36      31.0141      0.00000
     37      31.4254      0.00000
     38      31.7119      0.00000
     39      33.2170      0.00000
     40      33.3304      0.00000

 k-point    76 :       0.2667    0.2667    0.1333
  band No.  band energies     occupation 
      1     -10.2698      2.00000
      2      -6.1581      2.00000
      3      -6.1581      2.00000
      4      -4.2284      2.00000
      5      -1.7073      2.00000
      6       0.0824      2.00000
      7       0.0824      2.00000
      8       1.4219      2.00000
      9       3.0156      2.00000
     10       3.0156      2.00000
     11       4.1939      2.00000
     12       4.4524      2.00000
     13       4.4524      2.00000
     14       4.6841      2.00000
     15       7.2642      2.00000
     16       8.6593      2.00000
     17      15.7606      0.00000
     18      16.0545      0.00000
     19      16.0545      0.00000
     20      17.0258      0.00000
     21      18.0032      0.00000
     22      18.1179      0.00000
     23      19.8890      0.00000
     24      19.8890      0.00000
     25      21.3838      0.00000
     26      22.4623      0.00000
     27      22.4623      0.00000
     28      23.4649      0.00000
     29      24.0912      0.00000
     30      24.2056      0.00000
     31      24.2056      0.00000
     32      24.4853      0.00000
     33      28.9633      0.00000
     34      30.6602      0.00000
     35      30.8402      0.00000
     36      30.8402      0.00000
     37      30.9498      0.00000
     38      32.8420      0.00000
     39      32.8420      0.00000
     40      33.0879      0.00000

 k-point    77 :       0.3333    0.2667    0.1333
  band No.  band energies     occupation 
      1      -9.9058      2.00000
      2      -6.9522      2.00000
      3      -5.8473      2.00000
      4      -4.2174      2.00000
      5      -1.9951      2.00000
      6      -0.4678      2.00000
      7       0.5522      2.00000
      8       1.5680      2.00000
      9       2.8751      2.00000
     10       3.4764      2.00000
     11       3.7788      2.00000
     12       4.4584      2.00000
     13       4.8466      2.00000
     14       4.9745      2.00000
     15       6.7130      2.00000
     16       8.3834      2.00000
     17      16.1692      0.00000
     18      16.2077      0.00000
     19      16.9216      0.00000
     20      17.0748      0.00000
     21      18.4409      0.00000
     22      18.6312      0.00000
     23      20.4114      0.00000
     24      20.6262      0.00000
     25      21.7255      0.00000
     26      21.7482      0.00000
     27      22.4474      0.00000
     28      22.7602      0.00000
     29      23.3588      0.00000
     30      23.9644      0.00000
     31      24.2455      0.00000
     32      24.2460      0.00000
     33      28.3408      0.00000
     34      30.0235      0.00000
     35      30.6043      0.00000
     36      30.8437      0.00000
     37      31.0627      0.00000
     38      32.4302      0.00000
     39      32.9253      0.00000
     40      33.4909      0.00000

 k-point    78 :       0.4000    0.2667    0.1333
  band No.  band energies     occupation 
      1      -9.4634      2.00000
      2      -7.6849      2.00000
      3      -5.4845      2.00000
      4      -4.3761      2.00000
      5      -2.0488      2.00000
      6      -1.0022      2.00000
      7       1.0441      2.00000
      8       1.8021      2.00000
      9       2.6622      2.00000
     10       2.7963      2.00000
     11       4.4345      2.00000
     12       4.5210      2.00000
     13       4.8587      2.00000
     14       5.6779      2.00000
     15       6.1414      2.00000
     16       7.8963      2.00000
     17      16.3831      0.00000
     18      16.8417      0.00000
     19      16.9457      0.00000
     20      17.8955      0.00000
     21      18.9054      0.00000
     22      19.4833      0.00000
     23      20.0486      0.00000
     24      20.6781      0.00000
     25      21.3557      0.00000
     26      21.6145      0.00000
     27      22.3325      0.00000
     28      22.4476      0.00000
     29      23.4754      0.00000
     30      23.5038      0.00000
     31      24.1758      0.00000
     32      24.3067      0.00000
     33      27.7856      0.00000
     34      29.0672      0.00000
     35      30.5466      0.00000
     36      31.0378      0.00000
     37      31.1634      0.00000
     38      31.9565      0.00000
     39      33.0280      0.00000
     40      33.7436      0.00000

 k-point    79 :       0.4667    0.2667    0.1333
  band No.  band energies     occupation 
      1      -8.9441      2.00000
      2      -8.3502      2.00000
      3      -5.0884      2.00000
      4      -4.6958      2.00000
      5      -1.8511      2.00000
      6      -1.4789      2.00000
      7       1.5784      2.00000
      8       2.0866      2.00000
      9       2.1622      2.00000
     10       2.3865      2.00000
     11       4.6388      2.00000
     12       4.7699      2.00000
     13       5.0127      2.00000
     14       5.5735      2.00000
     15       6.4717      2.00000
     16       7.2387      2.00000
     17      16.5728      0.00000
     18      16.7659      0.00000
     19      17.6945      0.00000
     20      18.4434      0.00000
     21      19.4740      0.00000
     22      19.5834      0.00000
     23      20.1100      0.00000
     24      20.4197      0.00000
     25      20.4915      0.00000
     26      21.3431      0.00000
     27      22.0995      0.00000
     28      22.8130      0.00000
     29      23.1664      0.00000
     30      23.6434      0.00000
     31      24.3665      0.00000
     32      24.3892      0.00000
     33      27.6176      0.00000
     34      28.1476      0.00000
     35      30.7903      0.00000
     36      31.0847      0.00000
     37      31.2405      0.00000
     38      31.5144      0.00000
     39      33.1678      0.00000
     40      33.3894      0.00000

 k-point    80 :       0.3333    0.3333    0.1333
  band No.  band energies     occupation 
      1      -9.5442      2.00000
      2      -6.6237      2.00000
      3      -6.6237      2.00000
      4      -4.4480      2.00000
      5      -2.1058      2.00000
      6      -0.0638      2.00000
      7      -0.0638      2.00000
      8       1.7908      2.00000
      9       2.7636      2.00000
     10       3.5030      2.00000
     11       3.5030      2.00000
     12       5.1272      2.00000
     13       5.1272      2.00000
     14       5.2256      2.00000
     15       6.1944      2.00000
     16       8.2650      2.00000
     17      16.3212      0.00000
     18      17.0778      0.00000
     19      17.0778      0.00000
     20      17.5568      0.00000
     21      18.4637      0.00000
     22      18.8660      0.00000
     23      20.3816      0.00000
     24      20.3816      0.00000
     25      21.7494      0.00000
     26      21.7494      0.00000
     27      22.3171      0.00000
     28      23.3948      0.00000
     29      23.4526      0.00000
     30      23.4526      0.00000
     31      23.9053      0.00000
     32      24.1040      0.00000
     33      27.9043      0.00000
     34      30.3572      0.00000
     35      30.3572      0.00000
     36      30.5183      0.00000
     37      30.8916      0.00000
     38      32.5443      0.00000
     39      32.5443      0.00000
     40      33.4536      0.00000

 k-point    81 :       0.4000    0.3333    0.1333
  band No.  band energies     occupation 
      1      -9.1048      2.00000
      2      -7.3446      2.00000
      3      -6.2329      2.00000
      4      -4.8439      2.00000
      5      -1.9595      2.00000
      6      -0.6498      2.00000
      7       0.3895      2.00000
      8       2.0832      2.00000
      9       2.0909      2.00000
     10       3.1620      2.00000
     11       4.0524      2.00000
     12       5.2832      2.00000
     13       5.4298      2.00000
     14       5.6501      2.00000
     15       5.9092      2.00000
     16       7.9262      2.00000
     17      16.7582      0.00000
     18      17.2500      0.00000
     19      17.6753      0.00000
     20      18.0221      0.00000
     21      18.6321      0.00000
     22      19.5153      0.00000
     23      19.5156      0.00000
     24      19.8720      0.00000
     25      21.5269      0.00000
     26      21.9804      0.00000
     27      22.5250      0.00000
     28      22.7281      0.00000
     29      23.3027      0.00000
     30      23.6992      0.00000
     31      23.9404      0.00000
     32      24.5413      0.00000
     33      27.6260      0.00000
     34      29.4828      0.00000
     35      30.5276      0.00000
     36      30.6325      0.00000
     37      30.9578      0.00000
     38      32.0383      0.00000
     39      32.6615      0.00000
     40      33.5303      0.00000

 k-point    82 :       0.4667    0.3333    0.1333
  band No.  band energies     occupation 
      1      -8.5898      2.00000
      2      -8.0017      2.00000
      3      -5.7902      2.00000
      4      -5.3148      2.00000
      5      -1.6297      2.00000
      6      -1.1805      2.00000
      7       0.8997      2.00000
      8       1.4677      2.00000
      9       2.4239      2.00000
     10       2.7920      2.00000
     11       4.5770      2.00000
     12       5.1075      2.00000
     13       5.4138      2.00000
     14       5.4782      2.00000
     15       6.6919      2.00000
     16       7.3862      2.00000
     17      17.4254      0.00000
     18      17.4313      0.00000
     19      17.5833      0.00000
     20      18.1973      0.00000
     21      18.9406      0.00000
     22      19.3654      0.00000
     23      19.4719      0.00000
     24      20.4036      0.00000
     25      20.4921      0.00000
     26      21.3443      0.00000
     27      22.9575      0.00000
     28      22.9715      0.00000
     29      23.1552      0.00000
     30      23.5031      0.00000
     31      24.2533      0.00000
     32      24.7355      0.00000
     33      27.8149      0.00000
     34      28.5581      0.00000
     35      30.7513      0.00000
     36      30.7921      0.00000
     37      31.0663      0.00000
     38      31.4811      0.00000
     39      32.8015      0.00000
     40      33.0507      0.00000

 k-point    83 :       0.4000    0.4000    0.1333
  band No.  band energies     occupation 
      1      -8.6698      2.00000
      2      -6.9359      2.00000
      3      -6.9359      2.00000
      4      -5.3903      2.00000
      5      -1.6840      2.00000
      6      -0.2280      2.00000
      7      -0.2280      2.00000
      8       1.4272      2.00000
      9       2.4190      2.00000
     10       3.6353      2.00000
     11       3.6353      2.00000
     12       5.1325      2.00000
     13       5.8398      2.00000
     14       6.0700      2.00000
     15       6.0700      2.00000
     16       7.7508      2.00000
     17      16.9434      0.00000
     18      18.1506      0.00000
     19      18.1506      0.00000
     20      18.2459      0.00000
     21      18.4620      0.00000
     22      19.0748      0.00000
     23      19.0748      0.00000
     24      19.7902      0.00000
     25      21.1659      0.00000
     26      22.2103      0.00000
     27      22.2103      0.00000
     28      22.7402      0.00000
     29      23.4992      0.00000
     30      23.4992      0.00000
     31      24.1564      0.00000
     32      24.9803      0.00000
     33      27.8378      0.00000
     34      29.9377      0.00000
     35      29.9378      0.00000
     36      30.5358      0.00000
     37      30.8503      0.00000
     38      32.0939      0.00000
     39      32.0939      0.00000
     40      32.8904      0.00000

 k-point    84 :       0.4667    0.4000    0.1333
  band No.  band energies     occupation 
      1      -8.1607      2.00000
      2      -7.5810      2.00000
      3      -6.4652      2.00000
      4      -5.9435      2.00000
      5      -1.2833      2.00000
      6      -0.7911      2.00000
      7       0.2614      2.00000
      8       0.8149      2.00000
      9       2.7990      2.00000
     10       3.2102      2.00000
     11       4.1163      2.00000
     12       4.6164      2.00000
     13       6.0699      2.00000
     14       6.1353      2.00000
     15       6.7868      2.00000
     16       7.3633      2.00000
     17      17.3857      0.00000
     18      18.0141      0.00000
     19      18.2605      0.00000
     20      18.3342      0.00000
     21      18.5611      0.00000
     22      18.7614      0.00000
     23      19.4406      0.00000
     24      20.4046      0.00000
     25      20.4667      0.00000
     26      21.3600      0.00000
     27      22.2975      0.00000
     28      22.4256      0.00000
     29      23.7882      0.00000
     30      24.0776      0.00000
     31      24.3275      0.00000
     32      24.8950      0.00000
     33      28.4065      0.00000
     34      29.1633      0.00000
     35      30.3310      0.00000
     36      30.6070      0.00000
     37      30.8843      0.00000
     38      31.4353      0.00000
     39      32.1595      0.00000
     40      32.3849      0.00000

 k-point    85 :       0.4667    0.4667    0.1333
  band No.  band energies     occupation 
      1      -7.6600      2.00000
      2      -7.0925      2.00000
      3      -7.0925      2.00000
      4      -6.5429      2.00000
      5      -0.8420      2.00000
      6      -0.3230      2.00000
      7      -0.3230      2.00000
      8       0.2150      2.00000
      9       3.2117      2.00000
     10       3.6551      2.00000
     11       3.6551      2.00000
     12       4.1266      2.00000
     13       6.4936      2.00000
     14       6.7293      2.00000
     15       6.7293      2.00000
     16       7.1459      2.00000
     17      17.5758      0.00000
     18      17.9799      0.00000
     19      17.9799      0.00000
     20      18.1260      0.00000
     21      19.0911      0.00000
     22      19.3719      0.00000
     23      19.3719      0.00000
     24      20.0750      0.00000
     25      20.7716      0.00000
     26      21.4538      0.00000
     27      21.4538      0.00000
     28      21.7739      0.00000
     29      24.4032      0.00000
     30      24.4484      0.00000
     31      24.4484      0.00000
     32      24.8216      0.00000
     33      29.1161      0.00000
     34      29.7760      0.00000
     35      29.7760      0.00000
     36      30.2932      0.00000
     37      30.9673      0.00000
     38      31.4585      0.00000
     39      31.4585      0.00000
     40      31.7676      0.00000

 k-point    86 :       0.2000    0.2000    0.2000
  band No.  band energies     occupation 
      1     -10.6355      2.00000
      2      -5.3812      2.00000
      3      -5.3812      2.00000
      4      -5.3812      2.00000
      5      -0.4522      2.00000
      6      -0.4522      2.00000
      7      -0.4522      2.00000
      8       2.2587      2.00000
      9       2.2587      2.00000
     10       2.2587      2.00000
     11       4.4249      2.00000
     12       4.4249      2.00000
     13       4.4249      2.00000
     14       4.9158      2.00000
     15       8.4874      2.00000
     16       8.4874      2.00000
     17      15.3944      0.00000
     18      15.3944      0.00000
     19      15.3944      0.00000
     20      17.1541      0.00000
     21      17.1541      0.00000
     22      17.6081      0.00000
     23      19.4088      0.00000
     24      19.4088      0.00000
     25      19.4088      0.00000
     26      23.9491      0.00000
     27      23.9491      0.00000
     28      23.9491      0.00000
     29      24.1605      0.00000
     30      24.4190      0.00000
     31      24.4190      0.00000
     32      24.4190      0.00000
     33      30.4067      0.00000
     34      30.6840      0.00000
     35      30.6840      0.00000
     36      30.6840      0.00000
     37      32.3643      0.00000
     38      32.3643      0.00000
     39      33.4358      0.00000
     40      33.4358      0.00000

 k-point    87 :       0.2667    0.2000    0.2000
  band No.  band energies     occupation 
      1     -10.3510      2.00000
      2      -6.2310      2.00000
      3      -5.1668      2.00000
      4      -5.1668      2.00000
      5      -0.9506      2.00000
      6      -0.9506      2.00000
      7       0.0321      2.00000
      8       2.2526      2.00000
      9       2.2526      2.00000
     10       3.1443      2.00000
     11       4.1623      2.00000
     12       4.5384      2.00000
     13       4.5384      2.00000
     14       4.6804      2.00000
     15       7.9674      2.00000
     16       8.4465      2.00000
     17      15.5463      0.00000
     18      15.7857      0.00000
     19      15.7857      0.00000
     20      17.0202      0.00000
     21      17.7817      0.00000
     22      17.9324      0.00000
     23      19.8476      0.00000
     24      20.4956      0.00000
     25      20.4956      0.00000
     26      23.1760      0.00000
     27      23.1760      0.00000
     28      23.2459      0.00000
     29      23.5745      0.00000
     30      24.2370      0.00000
     31      24.2831      0.00000
     32      24.2831      0.00000
     33      30.0624      0.00000
     34      30.0624      0.00000
     35      30.5567      0.00000
     36      31.0190      0.00000
     37      31.4737      0.00000
     38      33.0494      0.00000
     39      33.0679      0.00000
     40      33.5942      0.00000

 k-point    88 :       0.3333    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.9866      2.00000
      2      -7.0274      2.00000
      3      -4.9175      2.00000
      4      -4.9175      2.00000
      5      -1.4623      2.00000
      6      -1.4623      2.00000
      7       0.4984      2.00000
      8       2.3345      2.00000
      9       2.3345      2.00000
     10       3.4361      2.00000
     11       4.1142      2.00000
     12       4.5258      2.00000
     13       4.5258      2.00000
     14       5.0039      2.00000
     15       7.4143      2.00000
     16       8.1415      2.00000
     17      15.7303      0.00000
     18      16.4400      0.00000
     19      16.4400      0.00000
     20      16.8358      0.00000
     21      18.4593      0.00000
     22      18.4858      0.00000
     23      20.4139      0.00000
     24      21.4722      0.00000
     25      21.4722      0.00000
     26      22.2921      0.00000
     27      22.2921      0.00000
     28      22.4700      0.00000
     29      22.6754      0.00000
     30      24.0221      0.00000
     31      24.2671      0.00000
     32      24.2671      0.00000
     33      29.3221      0.00000
     34      29.3221      0.00000
     35      30.7265      0.00000
     36      30.9280      0.00000
     37      31.2355      0.00000
     38      32.5948      0.00000
     39      33.6274      0.00000
     40      33.6274      0.00000

 k-point    89 :       0.4000    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.5436      2.00000
      2      -7.7618      2.00000
      3      -4.6715      2.00000
      4      -4.6715      2.00000
      5      -1.9034      2.00000
      6      -1.9034      2.00000
      7       0.9894      2.00000
      8       2.4437      2.00000
      9       2.4437      2.00000
     10       2.7497      2.00000
     11       4.4474      2.00000
     12       4.4474      2.00000
     13       5.0952      2.00000
     14       5.3908      2.00000
     15       6.8603      2.00000
     16       7.6052      2.00000
     17      15.9388      0.00000
     18      16.6227      0.00000
     19      17.2916      0.00000
     20      17.2916      0.00000
     21      19.1505      0.00000
     22      19.2407      0.00000
     23      20.8774      0.00000
     24      20.8774      0.00000
     25      21.0989      0.00000
     26      21.6597      0.00000
     27      21.7557      0.00000
     28      22.8293      0.00000
     29      22.8293      0.00000
     30      23.4734      0.00000
     31      24.2646      0.00000
     32      24.2646      0.00000
     33      28.5198      0.00000
     34      28.5198      0.00000
     35      30.7384      0.00000
     36      31.0336      0.00000
     37      31.2998      0.00000
     38      32.1060      0.00000
     39      33.5946      0.00000
     40      33.5946      0.00000

 k-point    90 :       0.4667    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.0235      2.00000
      2      -8.4286      2.00000
      3      -4.5031      2.00000
      4      -4.5031      2.00000
      5      -2.1745      2.00000
      6      -2.1745      2.00000
      7       1.5246      2.00000
      8       2.1112      2.00000
      9       2.5211      2.00000
     10       2.5211      2.00000
     11       4.3794      2.00000
     12       4.3794      2.00000
     13       5.8351      2.00000
     14       6.0342      2.00000
     15       6.3287      2.00000
     16       6.8862      2.00000
     17      16.1633      0.00000
     18      16.3947      0.00000
     19      18.1766      0.00000
     20      18.1766      0.00000
     21      19.8881      0.00000
     22      19.8881      0.00000
     23      19.9581      0.00000
     24      20.0298      0.00000
     25      20.8373      0.00000
     26      20.8405      0.00000
     27      21.8845      0.00000
     28      22.7091      0.00000
     29      23.5383      0.00000
     30      23.5383      0.00000
     31      24.2617      0.00000
     32      24.2617      0.00000
     33      27.9061      0.00000
     34      27.9061      0.00000
     35      30.9415      0.00000
     36      31.1952      0.00000
     37      31.2980      0.00000
     38      31.6457      0.00000
     39      33.5619      0.00000
     40      33.5619      0.00000

 k-point    91 :       0.2667    0.2667    0.2000
  band No.  band energies     occupation 
      1     -10.0677      2.00000
      2      -5.9915      2.00000
      3      -5.9915      2.00000
      4      -4.9867      2.00000
      5      -1.5252      2.00000
      6      -0.5853      2.00000
      7      -0.5853      2.00000
      8       2.3682      2.00000
      9       3.2013      2.00000
     10       3.2013      2.00000
     11       3.4013      2.00000
     12       4.8060      2.00000
     13       4.8060      2.00000
     14       4.8544      2.00000
     15       7.7098      2.00000
     16       8.3343      2.00000
     17      15.9110      0.00000
     18      15.9617      0.00000
     19      15.9617      0.00000
     20      17.3485      0.00000
     21      17.8863      0.00000
     22      18.0806      0.00000
     23      20.8625      0.00000
     24      20.8625      0.00000
     25      21.6084      0.00000
     26      22.4509      0.00000
     27      22.4509      0.00000
     28      22.9130      0.00000
     29      23.4989      0.00000
     30      23.4989      0.00000
     31      23.6773      0.00000
     32      24.4277      0.00000
     33      29.5587      0.00000
     34      30.4924      0.00000
     35      30.4924      0.00000
     36      30.6354      0.00000
     37      31.5444      0.00000
     38      32.8903      0.00000
     39      33.2452      0.00000
     40      33.2452      0.00000

 k-point    92 :       0.3333    0.2667    0.2000
  band No.  band energies     occupation 
      1      -9.7050      2.00000
      2      -6.7727      2.00000
      3      -5.6977      2.00000
      4      -4.8096      2.00000
      5      -2.0336      2.00000
      6      -1.1915      2.00000
      7      -0.1852      2.00000
      8       2.5491      2.00000
      9       2.6721      2.00000
     10       3.2521      2.00000
     11       4.1577      2.00000
     12       4.8477      2.00000
     13       5.0164      2.00000
     14       5.1659      2.00000
     15       7.2334      2.00000
     16       8.1332      2.00000
     17      16.1721      0.00000
     18      16.3227      0.00000
     19      16.6195      0.00000
     20      17.3016      0.00000
     21      18.3813      0.00000
     22      18.4423      0.00000
     23      21.2188      0.00000
     24      21.2806      0.00000
     25      21.7460      0.00000
     26      22.0508      0.00000
     27      22.1177      0.00000
     28      22.6494      0.00000
     29      22.7097      0.00000
     30      23.5472      0.00000
     31      23.5777      0.00000
     32      24.3681      0.00000
     33      28.9862      0.00000
     34      29.8018      0.00000
     35      30.7681      0.00000
     36      30.8227      0.00000
     37      31.1746      0.00000
     38      32.8105      0.00000
     39      33.3824      0.00000
     40      33.5008      0.00000

 k-point    93 :       0.4000    0.2667    0.2000
  band No.  band energies     occupation 
      1      -9.2644      2.00000
      2      -7.4973      2.00000
      3      -5.3678      2.00000
      4      -4.7127      2.00000
      5      -2.3670      2.00000
      6      -1.7389      2.00000
      7       0.2682      2.00000
      8       1.9874      2.00000
      9       2.7636      2.00000
     10       3.2466      2.00000
     11       4.8670      2.00000
     12       5.0083      2.00000
     13       5.0445      2.00000
     14       5.6698      2.00000
     15       6.7157      2.00000
     16       7.7108      2.00000
     17      16.4058      0.00000
     18      16.9840      0.00000
     19      17.1175      0.00000
     20      17.4522      0.00000
     21      18.8766      0.00000
     22      19.1494      0.00000
     23      20.2393      0.00000
     24      20.8724      0.00000
     25      20.9938      0.00000
     26      21.6539      0.00000
     27      22.0879      0.00000
     28      22.8699      0.00000
     29      23.2229      0.00000
     30      23.8579      0.00000
     31      23.9888      0.00000
     32      24.0163      0.00000
     33      28.3632      0.00000
     34      28.9851      0.00000
     35      30.9452      0.00000
     36      31.0166      0.00000
     37      31.0492      0.00000
     38      32.3168      0.00000
     39      33.4887      0.00000
     40      33.9367      0.00000

 k-point    94 :       0.4667    0.2667    0.2000
  band No.  band energies     occupation 
      1      -8.7477      2.00000
      2      -8.1575      2.00000
      3      -5.0402      2.00000
      4      -4.7903      2.00000
      5      -2.4152      2.00000
      6      -2.1742      2.00000
      7       0.7815      2.00000
      8       1.3554      2.00000
      9       2.9782      2.00000
     10       3.1521      2.00000
     11       4.9152      2.00000
     12       4.9903      2.00000
     13       5.6523      2.00000
     14       6.1913      2.00000
     15       6.3654      2.00000
     16       7.0964      2.00000
     17      16.6503      0.00000
     18      16.8926      0.00000
     19      17.7912      0.00000
     20      18.1917      0.00000
     21      19.4380      0.00000
     22      19.4764      0.00000
     23      19.9313      0.00000
     24      19.9580      0.00000
     25      20.1544      0.00000
     26      20.8193      0.00000
     27      22.6871      0.00000
     28      23.1815      0.00000
     29      23.2551      0.00000
     30      23.3773      0.00000
     31      24.4277      0.00000
     32      24.5910      0.00000
     33      27.9602      0.00000
     34      28.2285      0.00000
     35      31.0283      0.00000
     36      31.0722      0.00000
     37      31.3426      0.00000
     38      31.8047      0.00000
     39      33.5998      0.00000
     40      33.7492      0.00000

 k-point    95 :       0.3333    0.3333    0.2000
  band No.  band energies     occupation 
      1      -9.3448      2.00000
      2      -6.4536      2.00000
      3      -6.4536      2.00000
      4      -4.7830      2.00000
      5      -2.4338      2.00000
      6      -0.8431      2.00000
      7      -0.8431      2.00000
      8       1.9433      2.00000
      9       2.8012      2.00000
     10       4.0877      2.00000
     11       4.0877      2.00000
     12       5.3149      2.00000
     13       5.3149      2.00000
     14       5.3740      2.00000
     15       6.8205      2.00000
     16       8.0627      2.00000
     17      16.4799      0.00000
     18      16.8332      0.00000
     19      16.8332      0.00000
     20      17.6745      0.00000
     21      18.4120      0.00000
     22      18.5932      0.00000
     23      20.6151      0.00000
     24      20.6151      0.00000
     25      21.8050      0.00000
     26      22.2448      0.00000
     27      22.2448      0.00000
     28      22.7975      0.00000
     29      22.9211      0.00000
     30      22.9211      0.00000
     31      23.7833      0.00000
     32      24.5347      0.00000
     33      28.6771      0.00000
     34      30.2407      0.00000
     35      30.2407      0.00000
     36      30.8197      0.00000
     37      31.1891      0.00000
     38      33.0059      0.00000
     39      33.0059      0.00000
     40      33.5299      0.00000

 k-point    96 :       0.4000    0.3333    0.2000
  band No.  band energies     occupation 
      1      -8.9077      2.00000
      2      -7.1627      2.00000
      3      -6.0798      2.00000
      4      -4.9349      2.00000
      5      -2.5445      2.00000
      6      -1.4465      2.00000
      7      -0.4202      2.00000
      8       1.2619      2.00000
      9       3.0826      2.00000
     10       3.9140      2.00000
     11       4.7670      2.00000
     12       5.4543      2.00000
     13       5.5712      2.00000
     14       5.9461      2.00000
     15       6.3415      2.00000
     16       7.7826      2.00000
     17      16.9094      0.00000
     18      17.0678      0.00000
     19      17.6414      0.00000
     20      17.6945      0.00000
     21      18.6242      0.00000
     22      19.1330      0.00000
     23      19.6609      0.00000
     24      19.9961      0.00000
     25      20.9928      0.00000
     26      21.6637      0.00000
     27      22.4573      0.00000
     28      22.5764      0.00000
     29      23.0579      0.00000
     30      23.7635      0.00000
     31      24.4169      0.00000
     32      24.6191      0.00000
     33      28.3941      0.00000
     34      29.5281      0.00000
     35      30.5750      0.00000
     36      30.8859      0.00000
     37      31.2008      0.00000
     38      32.5288      0.00000
     39      33.1812      0.00000
     40      34.0314      0.00000

 k-point    97 :       0.4667    0.3333    0.2000
  band No.  band energies     occupation 
      1      -8.3958      2.00000
      2      -7.8126      2.00000
      3      -5.6700      2.00000
      4      -5.2628      2.00000
      5      -2.3577      2.00000
      6      -1.9659      2.00000
      7       0.0744      2.00000
      8       0.6368      2.00000
      9       3.3782      2.00000
     10       3.6657      2.00000
     11       5.3264      2.00000
     12       5.5689      2.00000
     13       5.6229      2.00000
     14       5.8413      2.00000
     15       6.6504      2.00000
     16       7.2938      2.00000
     17      17.3068      0.00000
     18      17.5287      0.00000
     19      17.5539      0.00000
     20      18.1433      0.00000
     21      18.9721      0.00000
     22      19.1830      0.00000
     23      19.4375      0.00000
     24      19.9167      0.00000
     25      19.9782      0.00000
     26      20.7882      0.00000
     27      22.5005      0.00000
     28      22.5243      0.00000
     29      23.5419      0.00000
     30      24.0422      0.00000
     31      24.6011      0.00000
     32      24.9784      0.00000
     33      28.3590      0.00000
     34      28.8106      0.00000
     35      30.7807      0.00000
     36      30.8743      0.00000
     37      31.5063      0.00000
     38      31.9985      0.00000
     39      33.3695      0.00000
     40      33.6454      0.00000

 k-point    98 :       0.4000    0.4000    0.2000
  band No.  band energies     occupation 
      1      -8.4754      2.00000
      2      -6.7636      2.00000
      3      -6.7636      2.00000
      4      -5.3372      2.00000
      5      -2.4213      2.00000
      6      -1.0555      2.00000
      7      -1.0555      2.00000
      8       0.5859      2.00000
      9       3.4168      2.00000
     10       4.4618      2.00000
     11       4.4618      2.00000
     12       5.8981      2.00000
     13       5.9556      2.00000
     14       6.1374      2.00000
     15       6.1374      2.00000
     16       7.6609      2.00000
     17      17.0916      0.00000
     18      17.8449      0.00000
     19      17.8449      0.00000
     20      18.1708      0.00000
     21      18.4743      0.00000
     22      19.1780      0.00000
     23      19.1780      0.00000
     24      19.3237      0.00000
     25      20.7148      0.00000
     26      21.6528      0.00000
     27      21.6528      0.00000
     28      21.9250      0.00000
     29      24.0103      0.00000
     30      24.0103      0.00000
     31      24.6299      0.00000
     32      25.1230      0.00000
     33      28.5889      0.00000
     34      30.0344      0.00000
     35      30.0344      0.00000
     36      30.8543      0.00000
     37      31.2726      0.00000
     38      32.6980      0.00000
     39      32.6980      0.00000
     40      33.6796      0.00000

 k-point    99 :       0.4667    0.4000    0.2000
  band No.  band energies     occupation 
      1      -7.9707      2.00000
      2      -7.3978      2.00000
      3      -6.3101      2.00000
      4      -5.8215      2.00000
      5      -2.0879      2.00000
      6      -1.6193      2.00000
      7      -0.5805      2.00000
      8      -0.0308      2.00000
      9       3.7663      2.00000
     10       4.1206      2.00000
     11       4.9544      2.00000
     12       5.4309      2.00000
     13       6.1696      2.00000
     14       6.2212      2.00000
     15       6.7928      2.00000
     16       7.3218      2.00000
     17      17.5153      0.00000
     18      18.0431      0.00000
     19      18.0648      0.00000
     20      18.2055      0.00000
     21      18.5707      0.00000
     22      18.8141      0.00000
     23      19.1040      0.00000
     24      19.9228      0.00000
     25      19.9658      0.00000
     26      20.7614      0.00000
     27      21.6464      0.00000
     28      21.6842      0.00000
     29      24.3272      0.00000
     30      24.5761      0.00000
     31      24.7874      0.00000
     32      25.2033      0.00000
     33      28.9523      0.00000
     34      29.4630      0.00000
     35      30.4394      0.00000
     36      30.7184      0.00000
     37      31.5720      0.00000
     38      32.1102      0.00000
     39      32.8631      0.00000
     40      33.1519      0.00000

 k-point   100 :       0.4667    0.4667    0.2000
  band No.  band energies     occupation 
      1      -7.4762      2.00000
      2      -6.9190      2.00000
      3      -6.9190      2.00000
      4      -6.3870      2.00000
      5      -1.6793      2.00000
      6      -1.1699      2.00000
      7      -1.1699      2.00000
      8      -0.6365      2.00000
      9       4.1603      2.00000
     10       4.5599      2.00000
     11       4.5599      2.00000
     12       4.9981      2.00000
     13       6.5621      2.00000
     14       6.7694      2.00000
     15       6.7694      2.00000
     16       7.1469      2.00000
     17      17.6957      0.00000
     18      18.0619      0.00000
     19      18.0619      0.00000
     20      18.1991      0.00000
     21      18.8540      0.00000
     22      19.0669      0.00000
     23      19.0669      0.00000
     24      19.7135      0.00000
     25      20.1440      0.00000
     26      20.7844      0.00000
     27      20.7844      0.00000
     28      21.0229      0.00000
     29      24.8705      0.00000
     30      24.9123      0.00000
     31      24.9123      0.00000
     32      25.2030      0.00000
     33      29.5577      0.00000
     34      30.0529      0.00000
     35      30.0529      0.00000
     36      30.4848      0.00000
     37      31.7503      0.00000
     38      32.2311      0.00000
     39      32.2311      0.00000
     40      32.5698      0.00000

 k-point   101 :       0.2667    0.2667    0.2667
  band No.  band energies     occupation 
      1      -9.7858      2.00000
      2      -5.7695      2.00000
      3      -5.7695      2.00000
      4      -5.7695      2.00000
      5      -1.2576      2.00000
      6      -1.2576      2.00000
      7      -1.2576      2.00000
      8       2.6275      2.00000
      9       3.3815      2.00000
     10       3.3816      2.00000
     11       3.3816      2.00000
     12       5.0889      2.00000
     13       5.0889      2.00000
     14       5.0889      2.00000
     15       7.9315      2.00000
     16       7.9315      2.00000
     17      16.1111      0.00000
     18      16.1111      0.00000
     19      16.1111      0.00000
     20      17.7682      0.00000
     21      17.7682      0.00000
     22      18.1332      0.00000
     23      21.9259      0.00000
     24      21.9259      0.00000
     25      21.9259      0.00000
     26      22.2547      0.00000
     27      22.2547      0.00000
     28      22.2547      0.00000
     29      22.8106      0.00000
     30      22.8106      0.00000
     31      22.8106      0.00000
     32      24.6885      0.00000
     33      30.1013      0.00000
     34      30.1013      0.00000
     35      30.1013      0.00000
     36      30.6596      0.00000
     37      32.3406      0.00000
     38      32.3406      0.00000
     39      33.5666      0.00000
     40      33.5666      0.00000

 k-point   102 :       0.3333    0.2667    0.2667
  band No.  band energies     occupation 
      1      -9.4251      2.00000
      2      -6.5277      2.00000
      3      -5.5099      2.00000
      4      -5.5099      2.00000
      5      -1.8763      2.00000
      6      -1.8763      2.00000
      7      -0.9101      2.00000
      8       1.8912      2.00000
      9       3.5551      2.00000
     10       3.5551      2.00000
     11       4.3981      2.00000
     12       5.2549      2.00000
     13       5.2549      2.00000
     14       5.3838      2.00000
     15       7.4844      2.00000
     16       7.8840      2.00000
     17      16.3504      0.00000
     18      16.5272      0.00000
     19      16.5272      0.00000
     20      17.6067      0.00000
     21      18.2677      0.00000
     22      18.3780      0.00000
     23      21.3957      0.00000
     24      21.3957      0.00000
     25      21.5464      0.00000
     26      21.9133      0.00000
     27      22.3522      0.00000
     28      22.5777      0.00000
     29      22.5777      0.00000
     30      23.1108      0.00000
     31      23.1108      0.00000
     32      24.7293      0.00000
     33      29.6099      0.00000
     34      29.6099      0.00000
     35      30.5301      0.00000
     36      30.7514      0.00000
     37      31.7993      0.00000
     38      33.1461      0.00000
     39      33.3030      0.00000
     40      33.7802      0.00000

 k-point   103 :       0.4000    0.2667    0.2667
  band No.  band energies     occupation 
      1      -8.9872      2.00000
      2      -7.2387      2.00000
      3      -5.2514      2.00000
      4      -5.2514      2.00000
      5      -2.3827      2.00000
      6      -2.3827      2.00000
      7      -0.4865      2.00000
      8       1.2043      2.00000
      9       3.7026      2.00000
     10       3.7026      2.00000
     11       5.3186      2.00000
     12       5.3186      2.00000
     13       5.3707      2.00000
     14       5.7333      2.00000
     15       7.0211      2.00000
     16       7.5639      2.00000
     17      16.6148      0.00000
     18      17.1731      0.00000
     19      17.1731      0.00000
     20      17.3986      0.00000
     21      18.8317      0.00000
     22      18.8339      0.00000
     23      20.3603      0.00000
     24      20.3603      0.00000
     25      20.8276      0.00000
     26      21.0449      0.00000
     27      22.5945      0.00000
     28      22.5945      0.00000
     29      22.8506      0.00000
     30      24.1028      0.00000
     31      24.1028      0.00000
     32      24.4778      0.00000
     33      29.0265      0.00000
     34      29.0265      0.00000
     35      30.8121      0.00000
     36      30.8857      0.00000
     37      31.5920      0.00000
     38      32.6769      0.00000
     39      33.8853      0.00000
     40      33.8853      0.00000

 k-point   104 :       0.4667    0.2667    0.2667
  band No.  band energies     occupation 
      1      -8.4745      2.00000
      2      -7.8901      2.00000
      3      -5.0725      2.00000
      4      -5.0725      2.00000
      5      -2.6878      2.00000
      6      -2.6878      2.00000
      7       0.0099      2.00000
      8       0.5751      2.00000
      9       3.7910      2.00000
     10       3.7910      2.00000
     11       5.3287      2.00000
     12       5.3287      2.00000
     13       6.1300      2.00000
     14       6.2554      2.00000
     15       6.5638      2.00000
     16       7.0040      2.00000
     17      16.8884      0.00000
     18      17.1548      0.00000
     19      17.9067      0.00000
     20      17.9067      0.00000
     21      19.4268      0.00000
     22      19.4268      0.00000
     23      19.4563      0.00000
     24      19.4600      0.00000
     25      20.1250      0.00000
     26      20.2132      0.00000
     27      22.5996      0.00000
     28      22.5996      0.00000
     29      23.4193      0.00000
     30      23.9970      0.00000
     31      24.8020      0.00000
     32      24.8020      0.00000
     33      28.5428      0.00000
     34      28.5428      0.00000
     35      30.9465      0.00000
     36      30.9639      0.00000
     37      31.7770      0.00000
     38      32.1942      0.00000
     39      33.9167      0.00000
     40      33.9167      0.00000

 k-point   105 :       0.3333    0.3333    0.2667
  band No.  band energies     occupation 
      1      -9.0673      2.00000
      2      -6.2263      2.00000
      3      -6.2263      2.00000
      4      -5.3223      2.00000
      5      -2.4539      2.00000
      6      -1.5855      2.00000
      7      -1.5855      2.00000
      8       1.1517      2.00000
      9       3.8225      2.00000
     10       4.5206      2.00000
     11       4.5206      2.00000
     12       5.5699      2.00000
     13       5.5699      2.00000
     14       5.5767      2.00000
     15       7.2727      2.00000
     16       7.7973      2.00000
     17      16.6911      0.00000
     18      16.7711      0.00000
     19      16.7711      0.00000
     20      17.8605      0.00000
     21      18.2789      0.00000
     22      18.4539      0.00000
     23      20.7192      0.00000
     24      20.7192      0.00000
     25      21.2075      0.00000
     26      21.8066      0.00000
     27      21.8066      0.00000
     28      21.9637      0.00000
     29      23.3624      0.00000
     30      23.3624      0.00000
     31      23.9383      0.00000
     32      24.9188      0.00000
     33      29.4046      0.00000
     34      30.1432      0.00000
     35      30.1432      0.00000
     36      30.7996      0.00000
     37      32.0698      0.00000
     38      33.4210      0.00000
     39      33.4210      0.00000
     40      33.4337      0.00000

 k-point   106 :       0.4000    0.3333    0.2667
  band No.  band energies     occupation 
      1      -8.6335      2.00000
      2      -6.9140      2.00000
      3      -5.8868      2.00000
      4      -5.2149      2.00000
      5      -2.8297      2.00000
      6      -2.1785      2.00000
      7      -1.1930      2.00000
      8       0.4653      2.00000
      9       4.0696      2.00000
     10       4.5372      2.00000
     11       5.3587      2.00000
     12       5.7070      2.00000
     13       5.7667      2.00000
     14       5.9972      2.00000
     15       6.8785      2.00000
     16       7.5938      2.00000
     17      17.0392      0.00000
     18      17.1096      0.00000
     19      17.3977      0.00000
     20      17.7814      0.00000
     21      18.5889      0.00000
     22      18.8022      0.00000
     23      19.7721      0.00000
     24      20.0709      0.00000
     25      20.4070      0.00000
     26      20.9732      0.00000
     27      21.7925      0.00000
     28      21.8012      0.00000
     29      23.7419      0.00000
     30      24.3059      0.00000
     31      24.7314      0.00000
     32      24.8574      0.00000
     33      29.1751      0.00000
     34      29.6724      0.00000
     35      30.5422      0.00000
     36      30.8841      0.00000
     37      32.0095      0.00000
     38      32.9996      0.00000
     39      33.6446      0.00000
     40      34.1849      0.00000

 k-point   107 :       0.4667    0.3333    0.2667
  band No.  band energies     occupation 
      1      -8.1269      2.00000
      2      -7.5514      2.00000
      3      -5.5481      2.00000
      4      -5.2901      2.00000
      5      -2.8935      2.00000
      6      -2.6424      2.00000
      7      -0.7145      2.00000
      8      -0.1593      2.00000
      9       4.2876      2.00000
     10       4.4529      2.00000
     11       5.7982      2.00000
     12       5.8295      2.00000
     13       5.9716      2.00000
     14       6.4448      2.00000
     15       6.5791      2.00000
     16       7.1672      2.00000
     17      17.3123      0.00000
     18      17.5688      0.00000
     19      17.7116      0.00000
     20      18.0148      0.00000
     21      18.9822      0.00000
     22      19.0505      0.00000
     23      19.4234      0.00000
     24      19.4743      0.00000
     25      19.4827      0.00000
     26      20.1649      0.00000
     27      21.7863      0.00000
     28      21.7956      0.00000
     29      24.1669      0.00000
     30      24.5721      0.00000
     31      24.9908      0.00000
     32      25.1600      0.00000
     33      29.0504      0.00000
     34      29.2356      0.00000
     35      30.7910      0.00000
     36      30.9005      0.00000
     37      32.1718      0.00000
     38      32.5537      0.00000
     39      33.8459      0.00000
     40      34.0520      0.00000

 k-point   108 :       0.4000    0.4000    0.2667
  band No.  band energies     occupation 
      1      -8.2059      2.00000
      2      -6.5329      2.00000
      3      -6.5329      2.00000
      4      -5.3628      2.00000
      5      -2.9639      2.00000
      6      -1.8303      2.00000
      7      -1.8303      2.00000
      8      -0.2174      2.00000
      9       4.3944      2.00000
     10       5.1964      2.00000
     11       5.1964      2.00000
     12       6.1112      2.00000
     13       6.2258      2.00000
     14       6.2258      2.00000
     15       6.5388      2.00000
     16       7.5336      2.00000
     17      17.2859      0.00000
     18      17.6416      0.00000
     19      17.6416      0.00000
     20      18.1281      0.00000
     21      18.4631      0.00000
     22      18.9214      0.00000
     23      19.2665      0.00000
     24      19.2665      0.00000
     25      20.2014      0.00000
     26      20.9597      0.00000
     27      20.9597      0.00000
     28      21.1200      0.00000
     29      24.5579      0.00000
     30      24.5579      0.00000
     31      25.0376      0.00000
     32      25.2173      0.00000
     33      29.3874      0.00000
     34      30.2261      0.00000
     35      30.2261      0.00000
     36      30.9197      0.00000
     37      32.2176      0.00000
     38      33.2835      0.00000
     39      33.2835      0.00000
     40      34.2225      0.00000

 k-point   109 :       0.4667    0.4000    0.2667
  band No.  band energies     occupation 
      1      -7.7084      2.00000
      2      -7.1471      2.00000
      3      -6.1140      2.00000
      4      -5.6970      2.00000
      5      -2.7780      2.00000
      6      -2.3729      2.00000
      7      -1.3758      2.00000
      8      -0.8343      2.00000
      9       4.6947      2.00000
     10       4.9671      2.00000
     11       5.7053      2.00000
     12       6.1418      2.00000
     13       6.3030      2.00000
     14       6.3359      2.00000
     15       6.7901      2.00000
     16       7.2573      2.00000
     17      17.6818      0.00000
     18      17.8836      0.00000
     19      18.0865      0.00000
     20      18.0911      0.00000
     21      18.5951      0.00000
     22      18.8497      0.00000
     23      18.8705      0.00000
     24      19.4063      0.00000
     25      19.5003      0.00000
     26      20.1369      0.00000
     27      20.9388      0.00000
     28      20.9393      0.00000
     29      24.8121      0.00000
     30      25.0013      0.00000
     31      25.1523      0.00000
     32      25.3869      0.00000
     33      29.6306      0.00000
     34      29.9094      0.00000
     35      30.6364      0.00000
     36      30.8698      0.00000
     37      32.4539      0.00000
     38      32.8510      0.00000
     39      33.5717      0.00000
     40      33.9606      0.00000

 k-point   110 :       0.4667    0.4667    0.2667
  band No.  band energies     occupation 
      1      -7.2248      2.00000
      2      -6.6868      2.00000
      3      -6.6868      2.00000
      4      -6.1899      2.00000
      5      -2.4394      2.00000
      6      -1.9583      2.00000
      7      -1.9583      2.00000
      8      -1.4385      2.00000
      9       5.0594      2.00000
     10       5.3972      2.00000
     11       5.3972      2.00000
     12       5.7861      2.00000
     13       6.6496      2.00000
     14       6.8164      2.00000
     15       6.8164      2.00000
     16       7.1402      2.00000
     17      17.8463      0.00000
     18      18.1482      0.00000
     19      18.1482      0.00000
     20      18.2786      0.00000
     21      18.6132      0.00000
     22      18.7774      0.00000
     23      18.7774      0.00000
     24      19.3163      0.00000
     25      19.5607      0.00000
     26      20.1299      0.00000
     27      20.1299      0.00000
     28      20.3056      0.00000
     29      25.2227      0.00000
     30      25.2510      0.00000
     31      25.2510      0.00000
     32      25.4346      0.00000
     33      30.1321      0.00000
     34      30.4526      0.00000
     35      30.4526      0.00000
     36      30.7712      0.00000
     37      32.7289      0.00000
     38      33.1401      0.00000
     39      33.1401      0.00000
     40      33.5430      0.00000

 k-point   111 :       0.3333    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.7130      2.00000
      2      -5.9596      2.00000
      3      -5.9596      2.00000
      4      -5.9596      2.00000
      5      -2.2507      2.00000
      6      -2.2507      2.00000
      7      -2.2507      2.00000
      8       0.4065      2.00000
      9       4.8078      2.00000
     10       4.8078      2.00000
     11       4.8078      2.00000
     12       5.8283      2.00000
     13       5.8283      2.00000
     14       5.8283      2.00000
     15       7.4853      2.00000
     16       7.4853      2.00000
     17      16.9422      0.00000
     18      16.9422      0.00000
     19      16.9422      0.00000
     20      18.1250      0.00000
     21      18.1250      0.00000
     22      18.4620      0.00000
     23      20.5830      0.00000
     24      20.5830      0.00000
     25      20.5830      0.00000
     26      21.1275      0.00000
     27      21.1275      0.00000
     28      21.1275      0.00000
     29      24.1675      0.00000
     30      24.1675      0.00000
     31      24.1675      0.00000
     32      25.1488      0.00000
     33      30.0328      0.00000
     34      30.0328      0.00000
     35      30.0328      0.00000
     36      30.8562      0.00000
     37      33.1083      0.00000
     38      33.1083      0.00000
     39      33.7497      0.00000
     40      33.7497      0.00000

 k-point   112 :       0.4000    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.2846      2.00000
      2      -6.6076      2.00000
      3      -5.6920      2.00000
      4      -5.6920      2.00000
      5      -2.7888      2.00000
      6      -2.7888      2.00000
      7      -1.9018      2.00000
      8      -0.2812      2.00000
      9       4.9894      2.00000
     10       4.9894      2.00000
     11       5.7121      2.00000
     12       6.0177      2.00000
     13       6.0177      2.00000
     14       6.1217      2.00000
     15       7.1445      2.00000
     16       7.4182      2.00000
     17      17.2161      0.00000
     18      17.3457      0.00000
     19      17.3457      0.00000
     20      17.9587      0.00000
     21      18.4726      0.00000
     22      18.6480      0.00000
     23      19.8354      0.00000
     24      19.8354      0.00000
     25      19.9731      0.00000
     26      20.3353      0.00000
     27      20.9998      0.00000
     28      20.9998      0.00000
     29      24.4440      0.00000
     30      24.8715      0.00000
     31      24.8715      0.00000
     32      25.1703      0.00000
     33      29.8963      0.00000
     34      29.8963      0.00000
     35      30.5194      0.00000
     36      30.9530      0.00000
     37      32.8311      0.00000
     38      33.4019      0.00000
     39      33.9832      0.00000
     40      33.9832      0.00000

 k-point   113 :       0.4667    0.3333    0.3333
  band No.  band energies     occupation 
      1      -7.7859      2.00000
      2      -7.2233      2.00000
      3      -5.5054      2.00000
      4      -5.5054      2.00000
      5      -3.1122      2.00000
      6      -3.1122      2.00000
      7      -1.4457      2.00000
      8      -0.9016      2.00000
      9       5.0813      2.00000
     10       5.0813      2.00000
     11       6.1109      2.00000
     12       6.1109      2.00000
     13       6.4472      2.00000
     14       6.4857      2.00000
     15       6.7929      2.00000
     16       7.0726      2.00000
     17      17.4915      0.00000
     18      17.7456      0.00000
     19      17.8874      0.00000
     20      17.8874      0.00000
     21      18.9020      0.00000
     22      19.0466      0.00000
     23      19.0494      0.00000
     24      19.0494      0.00000
     25      19.4064      0.00000
     26      19.6260      0.00000
     27      21.0013      0.00000
     28      21.0013      0.00000
     29      24.7408      0.00000
     30      25.0083      0.00000
     31      25.2961      0.00000
     32      25.2961      0.00000
     33      29.7836      0.00000
     34      29.7836      0.00000
     35      30.8372      0.00000
     36      30.9767      0.00000
     37      32.8270      0.00000
     38      33.0649      0.00000
     39      34.1101      0.00000
     40      34.1101      0.00000

 k-point   114 :       0.4000    0.4000    0.3333
  band No.  band energies     occupation 
      1      -7.8644      2.00000
      2      -6.2614      2.00000
      3      -6.2614      2.00000
      4      -5.5773      2.00000
      5      -3.1862      2.00000
      6      -2.5187      2.00000
      7      -2.5187      2.00000
      8      -0.9653      2.00000
      9       5.3037      2.00000
     10       5.7679      2.00000
     11       5.7679      2.00000
     12       6.2994      2.00000
     13       6.3422      2.00000
     14       6.3422      2.00000
     15       6.9856      2.00000
     16       7.3709      2.00000
     17      17.5112      0.00000
     18      17.5992      0.00000
     19      17.5992      0.00000
     20      18.1526      0.00000
     21      18.3873      0.00000
     22      18.6899      0.00000
     23      19.3231      0.00000
     24      19.3231      0.00000
     25      19.6846      0.00000
     26      20.2376      0.00000
     27      20.2376      0.00000
     28      20.3619      0.00000
     29      25.0292      0.00000
     30      25.0292      0.00000
     31      25.2930      0.00000
     32      25.3111      0.00000
     33      30.1440      0.00000
     34      30.4947      0.00000
     35      30.4947      0.00000
     36      31.0627      0.00000
     37      33.2988      0.00000
     38      33.7351      0.00000
     39      33.7351      0.00000
     40      34.1934      0.00000

 k-point   115 :       0.4667    0.4000    0.3333
  band No.  band energies     occupation 
      1      -7.3786      2.00000
      2      -6.8376      2.00000
      3      -5.9151      2.00000
      4      -5.6511      2.00000
      5      -3.2575      2.00000
      6      -2.9991      2.00000
      7      -2.1010      2.00000
      8      -1.5763      2.00000
      9       5.5299      2.00000
     10       5.6870      2.00000
     11       6.3116      2.00000
     12       6.4655      2.00000
     13       6.4787      2.00000
     14       6.6832      2.00000
     15       6.7695      2.00000
     16       7.1675      2.00000
     17      17.8462      0.00000
     18      17.8683      0.00000
     19      18.0569      0.00000
     20      18.0578      0.00000
     21      18.5894      0.00000
     22      18.7505      0.00000
     23      18.9031      0.00000
     24      18.9948      0.00000
     25      19.0756      0.00000
     26      19.5490      0.00000
     27      20.2242      0.00000
     28      20.2279      0.00000
     29      25.1838      0.00000
     30      25.2968      0.00000
     31      25.3960      0.00000
     32      25.4842      0.00000
     33      30.3405      0.00000
     34      30.4483      0.00000
     35      30.9087      0.00000
     36      31.0908      0.00000
     37      33.3788      0.00000
     38      33.5124      0.00000
     39      34.0232      0.00000
     40      34.2270      0.00000

 k-point   116 :       0.4667    0.4667    0.3333
  band No.  band energies     occupation 
      1      -6.9145      2.00000
      2      -6.4129      2.00000
      3      -6.4129      2.00000
      4      -5.9895      2.00000
      5      -3.0704      2.00000
      6      -2.6569      2.00000
      7      -2.6569      2.00000
      8      -2.1687      2.00000
      9       5.8547      2.00000
     10       6.1089      2.00000
     11       6.1089      2.00000
     12       6.4280      2.00000
     13       6.7483      2.00000
     14       6.8627      2.00000
     15       6.8627      2.00000
     16       7.1200      2.00000
     17      18.0079      0.00000
     18      18.1989      0.00000
     19      18.1989      0.00000
     20      18.3382      0.00000
     21      18.4188      0.00000
     22      18.5855      0.00000
     23      18.5855      0.00000
     24      18.9406      0.00000
     25      19.0947      0.00000
     26      19.5402      0.00000
     27      19.5402      0.00000
     28      19.6694      0.00000
     29      25.4326      0.00000
     30      25.4512      0.00000
     31      25.4512      0.00000
     32      25.5430      0.00000
     33      30.7556      0.00000
     34      30.9270      0.00000
     35      30.9270      0.00000
     36      31.1277      0.00000
     37      33.8071      0.00000
     38      33.9517      0.00000
     39      33.9517      0.00000
     40      34.3316      0.00000

 k-point   117 :       0.4000    0.4000    0.4000
  band No.  band energies     occupation 
      1      -7.4560      2.00000
      2      -5.9880      2.00000
      3      -5.9880      2.00000
      4      -5.9880      2.00000
      5      -3.0737      2.00000
      6      -3.0737      2.00000
      7      -3.0737      2.00000
      8      -1.6442      2.00000
      9       6.0936      2.00000
     10       6.0936      2.00000
     11       6.0936      2.00000
     12       6.5115      2.00000
     13       6.5115      2.00000
     14       6.5115      2.00000
     15       7.1778      2.00000
     16       7.1778      2.00000
     17      17.7462      0.00000
     18      17.7462      0.00000
     19      17.7462      0.00000
     20      18.2677      0.00000
     21      18.2677      0.00000
     22      18.6529      0.00000
     23      19.2077      0.00000
     24      19.2077      0.00000
     25      19.2077      0.00000
     26      19.6897      0.00000
     27      19.6897      0.00000
     28      19.6897      0.00000
     29      25.3613      0.00000
     30      25.3613      0.00000
     31      25.3613      0.00000
     32      25.4398      0.00000
     33      30.7773      0.00000
     34      30.7773      0.00000
     35      30.7773      0.00000
     36      31.2408      0.00000
     37      34.0171      0.00000
     38      34.0171      0.00000
     39      34.0171      0.00000
     40      34.4195      0.00000

 k-point   118 :       0.4667    0.4000    0.4000
  band No.  band energies     occupation 
      1      -6.9907      2.00000
      2      -6.4876      2.00000
      3      -5.7960      2.00000
      4      -5.7960      2.00000
      5      -3.4076      2.00000
      6      -3.4076      2.00000
      7      -2.7302      2.00000
      8      -2.2398      2.00000
      9       6.2046      2.00000
     10       6.2046      2.00000
     11       6.6595      2.00000
     12       6.6595      2.00000
     13       6.7060      2.00000
     14       6.7366      2.00000
     15       6.9627      2.00000
     16       7.0819      2.00000
     17      17.9645      0.00000
     18      18.0508      0.00000
     19      18.0508      0.00000
     20      18.1397      0.00000
     21      18.4840      0.00000
     22      18.7392      0.00000
     23      18.7392      0.00000
     24      18.7954      0.00000
     25      18.8009      0.00000
     26      19.1502      0.00000
     27      19.5834      0.00000
     28      19.5834      0.00000
     29      25.4220      0.00000
     30      25.4600      0.00000
     31      25.5293      0.00000
     32      25.5293      0.00000
     33      30.9667      0.00000
     34      30.9667      0.00000
     35      31.1961      0.00000
     36      31.3340      0.00000
     37      33.9626      0.00000
     38      34.1173      0.00000
     39      34.1559      0.00000
     40      34.1559      0.00000

 k-point   119 :       0.4667    0.4667    0.4000
  band No.  band energies     occupation 
      1      -6.5633      2.00000
      2      -6.1366      2.00000
      3      -6.1366      2.00000
      4      -5.8690      2.00000
      5      -3.4823      2.00000
      6      -3.2195      2.00000
      7      -3.2195      2.00000
      8      -2.8018      2.00000
      9       6.4865      2.00000
     10       6.6327      2.00000
     11       6.6327      2.00000
     12       6.8490      2.00000
     13       6.8585      2.00000
     14       6.9008      2.00000
     15       6.9008      2.00000
     16       7.0813      2.00000
     17      18.1530      0.00000
     18      18.2034      0.00000
     19      18.2034      0.00000
     20      18.3076      0.00000
     21      18.3434      0.00000
     22      18.5086      0.00000
     23      18.5086      0.00000
     24      18.6290      0.00000
     25      18.8151      0.00000
     26      19.0797      0.00000
     27      19.0797      0.00000
     28      19.1654      0.00000
     29      25.5277      0.00000
     30      25.5431      0.00000
     31      25.5431      0.00000
     32      25.5748      0.00000
     33      31.3134      0.00000
     34      31.3774      0.00000
     35      31.3774      0.00000
     36      31.4805      0.00000
     37      34.1696      0.00000
     38      34.1696      0.00000
     39      34.1875      0.00000
     40      34.3381      0.00000

 k-point   120 :       0.4667    0.4667    0.4667
  band No.  band energies     occupation 
      1      -6.2107      2.00000
      2      -5.9420      2.00000
      3      -5.9420      2.00000
      4      -5.9420      2.00000
      5      -3.5583      2.00000
      6      -3.5583      2.00000
      7      -3.5582      2.00000
      8      -3.2940      2.00000
      9       6.8922      2.00000
     10       6.8922      2.00000
     11       6.8922      2.00000
     12       6.9427      2.00000
     13       6.9427      2.00000
     14       6.9427      2.00000
     15       7.0218      2.00000
     16       7.0218      2.00000
     17      18.2511      0.00000
     18      18.2511      0.00000
     19      18.2511      0.00000
     20      18.3021      0.00000
     21      18.3021      0.00000
     22      18.4107      0.00000
     23      18.4107      0.00000
     24      18.4107      0.00000
     25      18.7413      0.00000
     26      18.8484      0.00000
     27      18.8484      0.00000
     28      18.8484      0.00000
     29      25.5605      0.00000
     30      25.5730      0.00000
     31      25.5730      0.00000
     32      25.5730      0.00000
     33      31.6655      0.00000
     34      31.6655      0.00000
     35      31.6655      0.00000
     36      31.7067      0.00000
     37      34.1322      0.00000
     38      34.1322      0.00000
     39      34.1322      0.00000
     40      34.2121      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
  9.428  12.519  -0.000  -0.000  -0.000   0.000   0.000   0.000
 12.519  16.623  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -3.657   0.000   0.000   7.163  -0.000  -0.000
 -0.000  -0.000   0.000  -3.657   0.000  -0.000   7.163  -0.000
 -0.000  -0.000   0.000   0.000  -3.657  -0.000  -0.000   7.163
  0.000   0.000   7.163  -0.000  -0.000 -16.124   0.000   0.000
  0.000   0.000  -0.000   7.163  -0.000   0.000 -16.124   0.000
  0.000   0.000  -0.000  -0.000   7.163   0.000   0.000 -16.124
 total augmentation occupancy for first ion, spin component:           1
  7.390  -3.258  -0.000   0.000  -0.000   0.000   0.000  -0.000
 -3.258   1.522  -0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000  -0.000   1.579  -0.000  -0.000   0.133  -0.000  -0.000
 -0.000  -0.000  -0.000   1.579   0.000  -0.000   0.133   0.000
 -0.000   0.000  -0.000   0.000   1.579  -0.000   0.000   0.133
  0.000   0.000   0.133  -0.000  -0.000   0.013  -0.000  -0.000
  0.000  -0.000  -0.000   0.133   0.000  -0.000   0.013   0.000
 -0.000   0.000  -0.000   0.000   0.133   0.000   0.000   0.013


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


    CHARGE:  cpu time    0.0376: real time    0.0378
    FORLOC:  cpu time    0.0006: real time    0.0006
    FORNL :  cpu time    0.2082: real time    0.2087
    STRESS:  cpu time    0.9227: real time    0.9252
    FORCOR:  cpu time    0.0049: real time    0.0049
    FORHAR:  cpu time    0.0014: real time    0.0014
    MIXING:  cpu time    0.0003: real time    0.0003
    OFIELD:  cpu time    0.0000: real time    0.0000

  Hirshfeld charges:
            ion         q(e)     
   ------------------------------
      1     C           0.000
      2     C          -0.000
      3     C          -0.000
      4     C          -0.000
      5     C           0.000
      6     C           0.000
      7     C           0.000
      8     C           0.000

  Tkatchenko/Scheffler method for vdW energy calculation
  ---------------------------------------------------------------------------------------------

  Parameters of vdW forcefield:
            C6ts              R0ts           ALPHAts        RELVOL
            (au)              (au)            (au)                
   ---------------------------------------------------------------
   C          38.440          3.477         10.899          0.908
   C          38.440          3.477         10.899          0.908
   C          38.440          3.477         10.899          0.908
   C          38.440          3.477         10.899          0.908
   C          38.440          3.477         10.899          0.908
   C          38.440          3.477         10.899          0.908
   C          38.440          3.477         10.899          0.908
   C          38.440          3.477         10.899          0.908
  Edisp (eV):   -1.75170
    FORVDW:  cpu time    9.5576: real time    9.6411

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   116.59788   116.59788   116.59788
  Ewald    -464.92875  -464.92875  -464.92875    -0.00002    -0.00002    -0.00002
  Hartree    35.08288    35.08288    35.08288    -0.00000    -0.00000    -0.00000
  E(xc)    -121.93376  -121.93376  -121.93376     0.00000     0.00000     0.00000
  Local     -44.06703   -44.06703   -44.06703     0.00001     0.00001     0.00001
  n-local   -28.66621   -29.43647   -28.88226     0.68646     0.81519     0.40678
  augment    -2.91757    -2.91757    -2.91757     0.00000     0.00000     0.00000
  Kinetic   501.07989   517.27448   518.81365    -4.91834    -6.60228    -3.46943
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -0.16269    -1.55236    -2.55699     0.31573     0.22700     0.18359
  -------------------------------------------------------------------------------------
  Total      -0.19600    -0.19600    -0.19600     0.00000     0.00000    -0.00000
  in kB      -6.96430    -6.96430    -6.96430     0.00000     0.00000    -0.00000
  external pressure =       -6.96 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :       45.09
      direct lattice vectors                 reciprocal lattice vectors
     3.559261050  0.000000000  0.000000000     0.280957195  0.000000000 -0.000000000
    -0.000000000  3.559261050  0.000000000    -0.000000000  0.280957195  0.000000000
     0.000000000 -0.000000000  3.559261050    -0.000000000 -0.000000000  0.280957195

  length of vectors
     3.559261050  3.559261050  3.559261050     0.280957195  0.280957195  0.280957195


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.617E-07 -.617E-07 -.617E-07   0.259E-05 0.259E-05 0.259E-05   0.694E-17 -.156E-16 -.867E-17   -.109E-10 -.109E-10 -.109E-10
   -.617E-07 -.617E-07 -.617E-07   0.259E-05 0.259E-05 0.259E-05   -.347E-17 0.126E-16 -.252E-16   -.109E-10 -.109E-10 -.109E-10
   -.617E-07 -.617E-07 -.617E-07   0.259E-05 0.259E-05 0.259E-05   -.382E-16 -.121E-16 0.347E-17   -.108E-10 -.109E-10 -.109E-10
   -.617E-07 -.617E-07 -.617E-07   0.259E-05 0.259E-05 0.259E-05   0.347E-17 -.134E-16 -.252E-16   -.108E-10 -.109E-10 -.109E-10
   -.148E-04 -.126E-06 -.148E-04   -.105E-04 0.527E-05 -.105E-04   0.147E-16 -.108E-16 0.338E-16   0.164E-09 -.849E-10 0.164E-09
   -.126E-06 -.126E-06 -.126E-06   0.527E-05 0.527E-05 0.527E-05   0.269E-16 0.212E-16 -.867E-18   -.849E-10 -.849E-10 -.849E-10
   -.126E-06 -.148E-04 -.148E-04   0.527E-05 -.105E-04 -.105E-04   0.867E-18 0.169E-16 0.217E-16   -.849E-10 0.164E-09 0.164E-09
   -.148E-04 -.148E-04 -.126E-06   -.105E-04 -.105E-04 0.527E-05   -.868E-18 0.212E-16 0.781E-17   0.164E-09 0.164E-09 -.849E-10
 -----------------------------------------------------------------------------------------------
   -.300E-04 -.300E-04 -.300E-04   -.224E-16 0.737E-14 0.616E-16   0.104E-16 0.199E-16 0.694E-17   0.114E-09 0.114E-09 0.114E-09
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.00000     -0.00000     -0.00000        -0.000000      0.000000     -0.000000
     -0.00000      1.77963      1.77963        -0.000000     -0.000000     -0.000000
      1.77963      1.77963      0.00000        -0.000000      0.000000      0.000000
      1.77963     -0.00000      1.77963         0.000000      0.000000     -0.000000
      2.66945      0.88982      2.66945         0.000000      0.000000      0.000000
      0.88982      0.88982      0.88982         0.000000     -0.000000     -0.000000
      0.88982      2.66945      2.66945         0.000000     -0.000000      0.000000
      2.66945      2.66945      0.88982         0.000000     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000030     -0.000030     -0.000030


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -74.51911651 eV

  energy  without entropy=      -74.51911651  energy(sigma->0) =      -74.51911651
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.8114345E-04-0.811E-04
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  =-0.1279097E+01 0.128E+01


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


    POTLOK:  cpu time    0.0062: real time    0.0062


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


 Steepest descent step on ions:
 trial-energy change:   -0.000081  1 .order    0.000060   -0.000418    0.000539
  (g-gl).g = 0.418E-03      g.g   = 0.418E-03  gl.gl    = 0.000E+00
 g(Force)  = 0.631E-37   g(Stress)= 0.418E-03 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.64101  (harmonic =   0.43691) maximal distance =0.00000000
 next E    =   -74.519207   (d E  =  -0.00017)


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


    WAVPRE:  cpu time    0.0023: real time    0.0047
    FEWALD:  cpu time    0.0002: real time    0.0002
    GENKIN:  cpu time    0.0396: real time    0.0397
    ORTHCH:  cpu time    0.1064: real time    0.1066
     LOOP+:  cpu time   17.6254: real time   17.7388


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


    POTLOK:  cpu time    0.0058: real time    0.0064
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.6027: real time    1.6069
 BZINTS: Fermi energy:  9.903999; 32.000000 electrons
         Band energy:  26.131831;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0184: real time    0.0184
    CHARGE:  cpu time    0.0350: real time    0.0351
    MIXING:  cpu time    0.0002: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.6632: real time    1.6682

 eigenvalue-minimisations  : 11180
 total energy-change (2. order) : 0.1259661E-02  (-0.9494885E-04)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7630930 magnetization 

 Broyden mixing:
  rms(total) = 0.29907E-02    rms(broyden)= 0.29902E-02
  rms(prec ) = 0.58844E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.71300618
  Ewald energy   TEWEN  =     -1395.24278925
  -Hartree energ DENC   =      -105.28328062
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.04826415
  PAW double counting   =      3071.39920410    -3076.74477857
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.13183069
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76615537 eV

  energy without entropy =      -72.76615537  energy(sigma->0) =      -72.76615537


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




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


    POTLOK:  cpu time    0.0048: real time    0.0050
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.5177: real time    1.5223
 BZINTS: Fermi energy:  9.903305; 32.000000 electrons
         Band energy:  26.093425;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0177: real time    0.0177
    CHARGE:  cpu time    0.0364: real time    0.0365
    MIXING:  cpu time    0.0002: real time    0.0002
    --------------------------------------------
      LOOP:  cpu time    1.5779: real time    1.5829

 eigenvalue-minimisations  : 10820
 total energy-change (2. order) : 0.1091885E-04  (-0.1412009E-05)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7631341 magnetization 

 Broyden mixing:
  rms(total) = 0.17087E-02    rms(broyden)= 0.17086E-02
  rms(prec ) = 0.32000E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3090
  2.3090

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.71300618
  Ewald energy   TEWEN  =     -1395.24278925
  -Hartree energ DENC   =      -105.24089518
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.04469113
  PAW double counting   =      3073.59387287    -3078.93984327
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.09342513
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76614445 eV

  energy without entropy =      -72.76614445  energy(sigma->0) =      -72.76614445


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




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


    POTLOK:  cpu time    0.0048: real time    0.0049
    SETDIJ:  cpu time    0.0011: real time    0.0011
     EDDAV:  cpu time    1.5912: real time    1.5955
 BZINTS: Fermi energy:  9.902525; 32.000000 electrons
         Band energy:  26.049910;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0177: real time    0.0178
    CHARGE:  cpu time    0.0365: real time    0.0366
    MIXING:  cpu time    0.0003: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.6516: real time    1.6562

 eigenvalue-minimisations  : 11080
 total energy-change (2. order) : 0.4019243E-05  (-0.6984469E-06)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7631748 magnetization 

 Broyden mixing:
  rms(total) = 0.23139E-03    rms(broyden)= 0.23139E-03
  rms(prec ) = 0.25477E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3937
  2.1653  0.6222

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.71300618
  Ewald energy   TEWEN  =     -1395.24278925
  -Hartree energ DENC   =      -105.19254267
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.04065740
  PAW double counting   =      3076.63977755    -3081.98654731
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.04990972
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76614043 eV

  energy without entropy =      -72.76614043  energy(sigma->0) =      -72.76614043


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




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


    POTLOK:  cpu time    0.0051: real time    0.0052
    SETDIJ:  cpu time    0.0015: real time    0.0015
     EDDAV:  cpu time    0.9355: real time    0.9380
 BZINTS: Fermi energy:  9.902547; 32.000000 electrons
         Band energy:  26.051105;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0177: real time    0.0177
    --------------------------------------------
      LOOP:  cpu time    0.9598: real time    0.9625

 eigenvalue-minimisations  :  4960
 total energy-change (2. order) :-0.5720904E-07  (-0.1487287E-07)
 number of electron      31.9999990 magnetization 
 augmentation part        0.7631748 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       116.71300618
  Ewald energy   TEWEN  =     -1395.24278925
  -Hartree energ DENC   =      -105.19367646
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       113.04076178
  PAW double counting   =      3076.54740495    -3081.89434105
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        26.05110541
  atomic energy  EATOM  =      1177.21238794
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -72.76614049 eV

  energy without entropy =      -72.76614049  energy(sigma->0) =      -72.76614049


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




 average (electrostatic) potential at core
  the test charge radii are     0.6991
  (the norm of the test charge is              1.0000)
       1 -45.2836       2 -45.2836       3 -45.2836       4 -45.2836       5 -45.2836
       6 -45.2836       7 -45.2836       8 -45.2836
 
 
 
 E-fermi :   9.9025     XC(G=0): -13.2872     alpha+bet :-17.7995


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.7410      2.00000
      2      -2.9830      2.00000
      3      -2.9830      2.00000
      4      -2.9830      2.00000
      5      -2.9830      2.00000
      6      -2.9830      2.00000
      7      -2.9830      2.00000
      8       3.4901      2.00000
      9       3.4901      2.00000
     10       3.4901      2.00000
     11       3.4901      2.00000
     12       3.4901      2.00000
     13       3.4901      2.00000
     14       9.8325      2.00000
     15       9.8325      2.00000
     16       9.8325      2.00000
     17      14.6077      0.00000
     18      14.6077      0.00000
     19      14.6077      0.00000
     20      14.6077      0.00000
     21      14.6077      0.00000
     22      14.6077      0.00000
     23      15.4436      0.00000
     24      15.4436      0.00000
     25      15.4436      0.00000
     26      23.3309      0.00000
     27      26.7478      0.00000
     28      26.7478      0.00000
     29      26.7478      0.00000
     30      26.7478      0.00000
     31      26.7478      0.00000
     32      26.7478      0.00000
     33      29.2223      0.00000
     34      33.1946      0.00000
     35      33.1946      0.00000
     36      33.1946      0.00000
     37      33.1946      0.00000
     38      33.1946      0.00000
     39      33.1946      0.00000
     40      36.4495      0.00000

 k-point     2 :       0.0667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.6997      2.00000
      2      -4.0353      2.00000
      3      -2.9563      2.00000
      4      -2.9563      2.00000
      5      -2.9563      2.00000
      6      -2.9563      2.00000
      7      -1.8915      2.00000
      8       3.3980      2.00000
      9       3.3980      2.00000
     10       3.3980      2.00000
     11       3.3980      2.00000
     12       3.5304      2.00000
     13       3.5304      2.00000
     14       9.6595      2.00000
     15       9.6595      2.00000
     16       9.7310      2.00000
     17      14.3257      0.00000
     18      14.7784      0.00000
     19      14.7784      0.00000
     20      14.7784      0.00000
     21      14.7784      0.00000
     22      14.9860      0.00000
     23      15.4106      0.00000
     24      15.6524      0.00000
     25      15.6524      0.00000
     26      23.3625      0.00000
     27      26.6108      0.00000
     28      26.6108      0.00000
     29      26.6680      0.00000
     30      26.6680      0.00000
     31      26.6680      0.00000
     32      26.6680      0.00000
     33      29.2957      0.00000
     34      32.9251      0.00000
     35      33.0889      0.00000
     36      33.0889      0.00000
     37      33.0889      0.00000
     38      33.0889      0.00000
     39      33.3862      0.00000
     40      34.9439      0.00000

 k-point     3 :       0.1333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.5762      2.00000
      2      -5.0399      2.00000
      3      -2.8784      2.00000
      4      -2.8784      2.00000
      5      -2.8784      2.00000
      6      -2.8784      2.00000
      7      -0.7713      2.00000
      8       3.1423      2.00000
      9       3.1423      2.00000
     10       3.1423      2.00000
     11       3.1423      2.00000
     12       3.6510      2.00000
     13       3.6510      2.00000
     14       9.2064      2.00000
     15       9.2064      2.00000
     16       9.4342      2.00000
     17      14.1320      0.00000
     18      15.2692      0.00000
     19      15.2692      0.00000
     20      15.2692      0.00000
     21      15.2692      0.00000
     22      15.3152      0.00000
     23      15.4685      0.00000
     24      16.2119      0.00000
     25      16.2119      0.00000
     26      23.4259      0.00000
     27      26.2172      0.00000
     28      26.2172      0.00000
     29      26.4181      0.00000
     30      26.4181      0.00000
     31      26.4181      0.00000
     32      26.4181      0.00000
     33      29.5099      0.00000
     34      32.5888      0.00000
     35      32.7982      0.00000
     36      32.7982      0.00000
     37      32.7982      0.00000
     38      32.7982      0.00000
     39      33.1266      0.00000
     40      33.4871      0.00000

 k-point     4 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.3705      2.00000
      2      -5.9893      2.00000
      3      -2.7555      2.00000
      4      -2.7555      2.00000
      5      -2.7555      2.00000
      6      -2.7555      2.00000
      7       0.3652      2.00000
      8       2.7757      2.00000
      9       2.7757      2.00000
     10       2.7757      2.00000
     11       2.7757      2.00000
     12       3.8514      2.00000
     13       3.8514      2.00000
     14       8.5960      2.00000
     15       8.5960      2.00000
     16       8.9617      2.00000
     17      14.0189      0.00000
     18      15.1683      0.00000
     19      16.0275      0.00000
     20      16.0275      0.00000
     21      16.0275      0.00000
     22      16.0275      0.00000
     23      16.0621      0.00000
     24      16.9982      0.00000
     25      16.9982      0.00000
     26      23.4246      0.00000
     27      25.6105      0.00000
     28      25.6105      0.00000
     29      25.9728      0.00000
     30      25.9728      0.00000
     31      25.9728      0.00000
     32      25.9728      0.00000
     33      29.8484      0.00000
     34      31.5478      0.00000
     35      32.1958      0.00000
     36      32.3963      0.00000
     37      32.3963      0.00000
     38      32.3963      0.00000
     39      32.3963      0.00000
     40      33.4852      0.00000

 k-point     5 :       0.2667    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0829      2.00000
      2      -6.8779      2.00000
      3      -2.5997      2.00000
      4      -2.5997      2.00000
      5      -2.5997      2.00000
      6      -2.5997      2.00000
      7       1.5052      2.00000
      8       2.3622      2.00000
      9       2.3622      2.00000
     10       2.3622      2.00000
     11       2.3622      2.00000
     12       4.1297      2.00000
     13       4.1297      2.00000
     14       7.9223      2.00000
     15       7.9223      2.00000
     16       8.3396      2.00000
     17      13.9787      0.00000
     18      14.9850      0.00000
     19      16.7726      0.00000
     20      16.9892      0.00000
     21      16.9892      0.00000
     22      16.9892      0.00000
     23      16.9892      0.00000
     24      17.9152      0.00000
     25      17.9152      0.00000
     26      23.2054      0.00000
     27      24.8428      0.00000
     28      24.8428      0.00000
     29      25.3094      0.00000
     30      25.3094      0.00000
     31      25.3094      0.00000
     32      25.3094      0.00000
     33      30.2862      0.00000
     34      30.3913      0.00000
     35      31.7558      0.00000
     36      31.9810      0.00000
     37      31.9811      0.00000
     38      31.9811      0.00000
     39      31.9811      0.00000
     40      33.3711      0.00000

 k-point     6 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.7145      2.00000
      2      -7.7007      2.00000
      3      -2.4315      2.00000
      4      -2.4315      2.00000
      5      -2.4315      2.00000
      6      -2.4315      2.00000
      7       1.9661      2.00000
      8       1.9661      2.00000
      9       1.9661      2.00000
     10       1.9661      2.00000
     11       2.6340      2.00000
     12       4.4840      2.00000
     13       4.4840      2.00000
     14       7.2406      2.00000
     15       7.2406      2.00000
     16       7.5919      2.00000
     17      14.0036      0.00000
     18      14.7819      0.00000
     19      17.6025      0.00000
     20      18.0888      0.00000
     21      18.0888      0.00000
     22      18.0888      0.00000
     23      18.0888      0.00000
     24      18.9044      0.00000
     25      18.9044      0.00000
     26      22.6373      0.00000
     27      23.9615      0.00000
     28      23.9615      0.00000
     29      24.4357      0.00000
     30      24.4357      0.00000
     31      24.4357      0.00000
     32      24.4357      0.00000
     33      29.7819      0.00000
     34      30.7923      0.00000
     35      31.2808      0.00000
     36      31.6346      0.00000
     37      31.6346      0.00000
     38      31.6346      0.00000
     39      31.6346      0.00000
     40      33.1419      0.00000

 k-point     7 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.2661      2.00000
      2      -8.4537      2.00000
      3      -2.2823      2.00000
      4      -2.2823      2.00000
      5      -2.2823      2.00000
      6      -2.2823      2.00000
      7       1.6494      2.00000
      8       1.6494      2.00000
      9       1.6494      2.00000
     10       1.6494      2.00000
     11       3.7366      2.00000
     12       4.9115      2.00000
     13       4.9115      2.00000
     14       6.5826      2.00000
     15       6.5826      2.00000
     16       6.7411      2.00000
     17      14.0855      0.00000
     18      14.5761      0.00000
     19      18.5466      0.00000
     20      19.2487      0.00000
     21      19.2487      0.00000
     22      19.2487      0.00000
     23      19.2487      0.00000
     24      19.9302      0.00000
     25      19.9302      0.00000
     26      21.7455      0.00000
     27      23.0042      0.00000
     28      23.0042      0.00000
     29      23.4142      0.00000
     30      23.4142      0.00000
     31      23.4142      0.00000
     32      23.4142      0.00000
     33      29.6779      0.00000
     34      30.7890      0.00000
     35      31.3324      0.00000
     36      31.3988      0.00000
     37      31.3988      0.00000
     38      31.3988      0.00000
     39      31.3988      0.00000
     40      32.8033      0.00000

 k-point     8 :       0.4667    0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.7387      2.00000
      2      -9.1339      2.00000
      3      -2.1919      2.00000
      4      -2.1918      2.00000
      5      -2.1918      2.00000
      6      -2.1918      2.00000
      7       1.4709      2.00000
      8       1.4709      2.00000
      9       1.4709      2.00000
     10       1.4709      2.00000
     11       4.7983      2.00000
     12       5.4079      2.00000
     13       5.4079      2.00000
     14       5.8046      2.00000
     15       5.9677      2.00000
     16       5.9677      2.00000
     17      14.2152      0.00000
     18      14.3827      0.00000
     19      19.5870      0.00000
     20      20.2770      0.00000
     21      20.2770      0.00000
     22      20.2770      0.00000
     23      20.2770      0.00000
     24      20.6814      0.00000
     25      20.9682      0.00000
     26      20.9682      0.00000
     27      21.9991      0.00000
     28      21.9991      0.00000
     29      22.4487      0.00000
     30      22.4487      0.00000
     31      22.4487      0.00000
     32      22.4487      0.00000
     33      29.9082      0.00000
     34      30.3124      0.00000
     35      31.2823      0.00000
     36      31.2823      0.00000
     37      31.2823      0.00000
     38      31.2823      0.00000
     39      31.8703      0.00000
     40      32.3711      0.00000

 k-point     9 :       0.0667    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.6585      2.00000
      2      -4.0044      2.00000
      3      -4.0044      2.00000
      4      -2.9520      2.00000
      5      -2.9090      2.00000
      6      -1.8713      2.00000
      7      -1.8713      2.00000
      8       3.0722      2.00000
      9       3.4315      2.00000
     10       3.4315      2.00000
     11       3.4472      2.00000
     12       3.4472      2.00000
     13       3.5595      2.00000
     14       9.3590      2.00000
     15       9.4908      2.00000
     16       9.7818      2.00000
     17      14.4997      0.00000
     18      14.4997      0.00000
     19      14.6748      0.00000
     20      15.1525      0.00000
     21      15.1525      0.00000
     22      15.2044      0.00000
     23      15.5275      0.00000
     24      15.7080      0.00000
     25      15.8330      0.00000
     26      23.3966      0.00000
     27      26.4935      0.00000
     28      26.4935      0.00000
     29      26.5421      0.00000
     30      26.5654      0.00000
     31      26.5654      0.00000
     32      26.6430      0.00000
     33      29.3661      0.00000
     34      32.6826      0.00000
     35      32.8629      0.00000
     36      32.8629      0.00000
     37      33.2493      0.00000
     38      33.2493      0.00000
     39      33.3044      0.00000
     40      34.6720      0.00000

 k-point    10 :       0.1333    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.5349      2.00000
      2      -5.0061      2.00000
      3      -3.9131      2.00000
      4      -2.9018      2.00000
      5      -2.8086      2.00000
      6      -1.8136      2.00000
      7      -0.7609      2.00000
      8       2.6338      2.00000
      9       3.1565      2.00000
     10       3.2179      2.00000
     11       3.5365      2.00000
     12       3.5467      2.00000
     13       3.5803      2.00000
     14       8.8360      2.00000
     15       9.0471      2.00000
     16       9.6076      2.00000
     17      14.3087      0.00000
     18      14.9110      0.00000
     19      14.9993      0.00000
     20      15.4812      0.00000
     21      15.6300      0.00000
     22      15.6321      0.00000
     23      15.9043      0.00000
     24      16.2131      0.00000
     25      16.3304      0.00000
     26      23.4674      0.00000
     27      26.0676      0.00000
     28      26.1381      0.00000
     29      26.1972      0.00000
     30      26.2554      0.00000
     31      26.4192      0.00000
     32      26.4557      0.00000
     33      29.5718      0.00000
     34      32.1497      0.00000
     35      32.5711      0.00000
     36      32.6972      0.00000
     37      32.8616      0.00000
     38      33.1419      0.00000
     39      33.3006      0.00000
     40      33.3383      0.00000

 k-point    11 :       0.2000    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.3294      2.00000
      2      -5.9536      2.00000
      3      -3.7652      2.00000
      4      -2.8175      2.00000
      5      -2.6577      2.00000
      6      -1.7285      2.00000
      7       0.3599      2.00000
      8       2.1470      2.00000
      9       2.7590      2.00000
     10       2.8952      2.00000
     11       3.3511      2.00000
     12       3.7424      2.00000
     13       3.7986      2.00000
     14       8.1969      2.00000
     15       8.4461      2.00000
     16       9.2145      2.00000
     17      14.1977      0.00000
     18      15.3411      0.00000
     19      15.4618      0.00000
     20      15.7696      0.00000
     21      16.2177      0.00000
     22      16.3746      0.00000
     23      16.8176      0.00000
     24      16.9892      0.00000
     25      17.0516      0.00000
     26      23.4780      0.00000
     27      25.4397      0.00000
     28      25.5424      0.00000
     29      25.6058      0.00000
     30      25.7801      0.00000
     31      26.0779      0.00000
     32      26.1423      0.00000
     33      29.8970      0.00000
     34      31.5798      0.00000
     35      31.5991      0.00000
     36      32.2144      0.00000
     37      32.2949      0.00000
     38      32.4798      0.00000
     39      33.1013      0.00000
     40      33.3421      0.00000

 k-point    12 :       0.2667    0.0667    0.0000
  band No.  band energies     occupation 
      1     -11.0420      2.00000
      2      -6.8407      2.00000
      3      -3.5687      2.00000
      4      -2.7195      2.00000
      5      -2.4632      2.00000
      6      -1.6350      2.00000
      7       1.4740      2.00000
      8       1.6772      2.00000
      9       2.3015      2.00000
     10       2.5461      2.00000
     11       3.0560      2.00000
     12       4.0168      2.00000
     13       4.1051      2.00000
     14       7.5026      2.00000
     15       7.7800      2.00000
     16       8.6504      2.00000
     17      14.1590      0.00000
     18      15.1610      0.00000
     19      16.2708      0.00000
     20      16.7455      0.00000
     21      16.9216      0.00000
     22      17.3155      0.00000
     23      17.8853      0.00000
     24      17.9032      0.00000
     25      17.9128      0.00000
     26      23.2747      0.00000
     27      24.6636      0.00000
     28      24.7231      0.00000
     29      24.8454      0.00000
     30      25.0907      0.00000
     31      25.4820      0.00000
     32      25.6892      0.00000
     33      30.3177      0.00000
     34      30.4514      0.00000
     35      31.0673      0.00000
     36      31.6644      0.00000
     37      31.7995      0.00000
     38      32.2686      0.00000
     39      32.7891      0.00000
     40      33.2452      0.00000

 k-point    13 :       0.3333    0.0667    0.0000
  band No.  band energies     occupation 
      1     -10.6738      2.00000
      2      -7.6624      2.00000
      3      -3.3364      2.00000
      4      -2.6398      2.00000
      5      -2.2373      2.00000
      6      -1.5629      2.00000
      7       1.2894      2.00000
      8       1.8430      2.00000
      9       2.2420      2.00000
     10       2.5580      2.00000
     11       2.7145      2.00000
     12       4.3675      2.00000
     13       4.5060      2.00000
     14       6.7883      2.00000
     15       7.1042      2.00000
     16       7.9603      2.00000
     17      14.1849      0.00000
     18      14.9602      0.00000
     19      17.2690      0.00000
     20      17.7439      0.00000
     21      17.8649      0.00000
     22      18.3823      0.00000
     23      18.8559      0.00000
     24      18.8930      0.00000
     25      19.0481      0.00000
     26      22.7238      0.00000
     27      23.7327      0.00000
     28      23.7852      0.00000
     29      23.9659      0.00000
     30      24.1958      0.00000
     31      24.6660      0.00000
     32      25.0187      0.00000
     33      29.8438      0.00000
     34      30.6801      0.00000
     35      30.8041      0.00000
     36      31.0961      0.00000
     37      31.3393      0.00000
     38      32.1053      0.00000
     39      32.4698      0.00000
     40      33.0384      0.00000

 k-point    14 :       0.4000    0.0667    0.0000
  band No.  band energies     occupation 
      1     -10.2255      2.00000
      2      -8.4145      2.00000
      3      -3.0899      2.00000
      4      -2.6202      2.00000
      5      -2.0006      2.00000
      6      -1.5493      2.00000
      7       1.0467      2.00000
      8       1.4369      2.00000
      9       2.0486      2.00000
     10       2.3883      2.00000
     11       3.5806      2.00000
     12       4.7915      2.00000
     13       5.0141      2.00000
     14       6.0662      2.00000
     15       6.4513      2.00000
     16       7.1891      2.00000
     17      14.2672      0.00000
     18      14.7560      0.00000
     19      18.3800      0.00000
     20      18.6797      0.00000
     21      19.0662      0.00000
     22      19.4601      0.00000
     23      19.8434      0.00000
     24      19.9215      0.00000
     25      20.2179      0.00000
     26      21.8469      0.00000
     27      22.6889      0.00000
     28      22.8402      0.00000
     29      23.0070      0.00000
     30      23.1751      0.00000
     31      23.6766      0.00000
     32      24.1325      0.00000
     33      29.7415      0.00000
     34      30.4447      0.00000
     35      30.6779      0.00000
     36      30.8546      0.00000
     37      31.3227      0.00000
     38      32.0102      0.00000
     39      32.2174      0.00000
     40      32.7239      0.00000

 k-point    15 :       0.4667    0.0667    0.0000
  band No.  band energies     occupation 
      1      -9.6984      2.00000
      2      -9.0941      2.00000
      3      -2.8618      2.00000
      4      -2.6941      2.00000
      5      -1.7832      2.00000
      6      -1.6230      2.00000
      7       0.9942      2.00000
      8       1.1366      2.00000
      9       2.0118      2.00000
     10       2.1363      2.00000
     11       4.5054      2.00000
     12       5.2845      2.00000
     13       5.3206      2.00000
     14       5.6461      2.00000
     15       5.8405      2.00000
     16       6.3926      2.00000
     17      14.3969      0.00000
     18      14.5637      0.00000
     19      19.4830      0.00000
     20      19.7109      0.00000
     21      20.1062      0.00000
     22      20.2567      0.00000
     23      20.7919      0.00000
     24      20.8529      0.00000
     25      20.9634      0.00000
     26      20.9795      0.00000
     27      21.8548      0.00000
     28      21.9985      0.00000
     29      22.0446      0.00000
     30      22.4558      0.00000
     31      22.6401      0.00000
     32      23.1188      0.00000
     33      29.9742      0.00000
     34      30.3629      0.00000
     35      30.3797      0.00000
     36      30.4366      0.00000
     37      31.8382      0.00000
     38      31.9924      0.00000
     39      32.0587      0.00000
     40      32.3157      0.00000

 k-point    16 :       0.1333    0.1333    0.0000
  band No.  band energies     occupation 
      1     -11.4116      2.00000
      2      -4.9056      2.00000
      3      -4.9056      2.00000
      4      -2.8903      2.00000
      5      -2.6873      2.00000
      6      -0.7347      2.00000
      7      -0.7347      2.00000
      8       2.0745      2.00000
      9       3.2567      2.00000
     10       3.2567      2.00000
     11       3.3883      2.00000
     12       3.3883      2.00000
     13       3.7648      2.00000
     14       8.2442      2.00000
     15       8.6238      2.00000
     16       9.6257      2.00000
     17      14.8151      0.00000
     18      14.8151      0.00000
     19      14.8748      0.00000
     20      15.7783      0.00000
     21      16.0959      0.00000
     22      16.0959      0.00000
     23      16.3657      0.00000
     24      16.6776      0.00000
     25      16.7597      0.00000
     26      23.5600      0.00000
     27      25.6278      0.00000
     28      25.6278      0.00000
     29      25.9577      0.00000
     30      26.1313      0.00000
     31      26.1313      0.00000
     32      26.3535      0.00000
     33      29.7528      0.00000
     34      31.4220      0.00000
     35      32.5260      0.00000
     36      32.5260      0.00000
     37      32.8557      0.00000
     38      32.9061      0.00000
     39      32.9061      0.00000
     40      33.6022      0.00000

 k-point    17 :       0.2000    0.1333    0.0000
  band No.  band energies     occupation 
      1     -11.2062      2.00000
      2      -5.8467      2.00000
      3      -4.7411      2.00000
      4      -2.8637      2.00000
      5      -2.5138      2.00000
      6      -0.7081      2.00000
      7       0.3370      2.00000
      8       1.5306      2.00000
      9       2.8363      2.00000
     10       3.1293      2.00000
     11       3.4401      2.00000
     12       3.6617      2.00000
     13       3.8092      2.00000
     14       7.5719      2.00000
     15       8.0437      2.00000
     16       9.3988      2.00000
     17      14.7088      0.00000
     18      15.1735      0.00000
     19      15.5935      0.00000
     20      15.7790      0.00000
     21      16.6674      0.00000
     22      16.8179      0.00000
     23      16.9979      0.00000
     24      17.2247      0.00000
     25      17.7809      0.00000
     26      23.6069      0.00000
     27      24.9268      0.00000
     28      24.9487      0.00000
     29      25.4928      0.00000
     30      25.5894      0.00000
     31      25.9996      0.00000
     32      26.0782      0.00000
     33      30.0393      0.00000
     34      30.7019      0.00000
     35      31.6872      0.00000
     36      32.2404      0.00000
     37      32.2643      0.00000
     38      32.4720      0.00000
     39      32.9189      0.00000
     40      33.6580      0.00000

 k-point    18 :       0.2667    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.9193      2.00000
      2      -6.7293      2.00000
      3      -4.5175      2.00000
      4      -2.8547      2.00000
      5      -2.2909      2.00000
      6      -0.7082      2.00000
      7       1.0688      2.00000
      8       1.3728      2.00000
      9       2.3481      2.00000
     10       2.8745      2.00000
     11       3.6923      2.00000
     12       3.7041      2.00000
     13       4.0513      2.00000
     14       6.8643      2.00000
     15       7.3950      2.00000
     16       8.9557      2.00000
     17      14.6732      0.00000
     18      15.6353      0.00000
     19      15.7781      0.00000
     20      16.5778      0.00000
     21      17.3523      0.00000
     22      17.7303      0.00000
     23      17.8804      0.00000
     24      17.9262      0.00000
     25      18.9171      0.00000
     26      23.4535      0.00000
     27      24.0181      0.00000
     28      24.1553      0.00000
     29      24.8231      0.00000
     30      24.8525      0.00000
     31      25.5911      0.00000
     32      25.7632      0.00000
     33      30.0845      0.00000
     34      30.4103      0.00000
     35      30.5991      0.00000
     36      31.4365      0.00000
     37      31.9134      0.00000
     38      32.4282      0.00000
     39      32.8686      0.00000
     40      33.4763      0.00000

 k-point    19 :       0.3333    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.5516      2.00000
      2      -7.5477      2.00000
      3      -4.2431      2.00000
      4      -2.9062      2.00000
      5      -2.0260      2.00000
      6      -0.7688      2.00000
      7       0.7555      2.00000
      8       1.8478      2.00000
      9       2.3389      2.00000
     10       2.6959      2.00000
     11       3.4661      2.00000
     12       4.0454      2.00000
     13       4.5726      2.00000
     14       6.1476      2.00000
     15       6.7333      2.00000
     16       8.3447      2.00000
     17      14.7004      0.00000
     18      15.4514      0.00000
     19      16.6278      0.00000
     20      17.7070      0.00000
     21      18.1527      0.00000
     22      18.7341      0.00000
     23      18.7453      0.00000
     24      18.8652      0.00000
     25      20.1124      0.00000
     26      22.9587      0.00000
     27      22.9905      0.00000
     28      23.2894      0.00000
     29      23.9458      0.00000
     30      23.9791      0.00000
     31      24.8730      0.00000
     32      25.3611      0.00000
     33      29.6405      0.00000
     34      30.0010      0.00000
     35      30.6307      0.00000
     36      30.8389      0.00000
     37      31.4902      0.00000
     38      32.4098      0.00000
     39      32.7279      0.00000
     40      33.1659      0.00000

 k-point    20 :       0.4000    0.1333    0.0000
  band No.  band energies     occupation 
      1     -10.1042      2.00000
      2      -8.2974      2.00000
      3      -3.9317      2.00000
      4      -3.0539      2.00000
      5      -1.7317      2.00000
      6      -0.9150      2.00000
      7       0.6405      2.00000
      8       1.3822      2.00000
      9       2.6445      2.00000
     10       3.1923      2.00000
     11       3.2098      2.00000
     12       4.4603      2.00000
     13       5.2314      2.00000
     14       5.4339      2.00000
     15       6.0920      2.00000
     16       7.6147      2.00000
     17      14.7821      0.00000
     18      15.2574      0.00000
     19      17.6470      0.00000
     20      18.9264      0.00000
     21      19.0636      0.00000
     22      19.6091      0.00000
     23      19.6558      0.00000
     24      19.8991      0.00000
     25      21.2437      0.00000
     26      22.0589      0.00000
     27      22.1315      0.00000
     28      22.3814      0.00000
     29      22.9699      0.00000
     30      23.0160      0.00000
     31      23.9517      0.00000
     32      24.7293      0.00000
     33      29.3969      0.00000
     34      29.9021      0.00000
     35      29.9678      0.00000
     36      31.0223      0.00000
     37      31.2943      0.00000
     38      32.4290      0.00000
     39      32.4858      0.00000
     40      32.8638      0.00000

 k-point    21 :       0.4667    0.1333    0.0000
  band No.  band energies     occupation 
      1      -9.5781      2.00000
      2      -8.9751      2.00000
      3      -3.6057      2.00000
      4      -3.2987      2.00000
      5      -1.4281      2.00000
      6      -1.1442      2.00000
      7       0.7314      2.00000
      8       0.9948      2.00000
      9       2.7313      2.00000
     10       2.9294      2.00000
     11       3.9920      2.00000
     12       4.7215      2.00000
     13       4.9444      2.00000
     14       5.4913      2.00000
     15       5.9991      2.00000
     16       6.8148      2.00000
     17      14.9095      0.00000
     18      15.0719      0.00000
     19      18.7391      0.00000
     20      19.6773      0.00000
     21      20.0663      0.00000
     22      20.1756      0.00000
     23      20.5209      0.00000
     24      20.9512      0.00000
     25      21.1208      0.00000
     26      21.3133      0.00000
     27      21.4537      0.00000
     28      21.9978      0.00000
     29      22.0125      0.00000
     30      22.8969      0.00000
     31      22.9172      0.00000
     32      23.8592      0.00000
     33      29.3581      0.00000
     34      29.5399      0.00000
     35      30.1405      0.00000
     36      30.5505      0.00000
     37      31.7427      0.00000
     38      32.1501      0.00000
     39      32.4997      0.00000
     40      32.6392      0.00000

 k-point    22 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -11.0012      2.00000
      2      -5.6706      2.00000
      3      -5.6706      2.00000
      4      -2.9264      2.00000
      5      -2.3189      2.00000
      6       0.2749      2.00000
      7       0.2749      2.00000
      8       0.9946      2.00000
      9       3.0019      2.00000
     10       3.0019      2.00000
     11       3.4959      2.00000
     12       3.4959      2.00000
     13       4.1004      2.00000
     14       6.8864      2.00000
     15       7.4856      2.00000
     16       9.3546      2.00000
     17      15.2035      0.00000
     18      15.4922      0.00000
     19      15.4922      0.00000
     20      16.1932      0.00000
     21      17.2222      0.00000
     22      17.3642      0.00000
     23      17.3642      0.00000
     24      17.5400      0.00000
     25      18.8717      0.00000
     26      23.7174      0.00000
     27      24.1935      0.00000
     28      24.1935      0.00000
     29      25.0769      0.00000
     30      25.5526      0.00000
     31      25.5526      0.00000
     32      25.9355      0.00000
     33      29.8404      0.00000
     34      30.2650      0.00000
     35      31.4443      0.00000
     36      32.2407      0.00000
     37      32.2407      0.00000
     38      32.3326      0.00000
     39      32.3326      0.00000
     40      33.3544      0.00000

 k-point    23 :       0.2667    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.7151      2.00000
      2      -6.5450      2.00000
      3      -5.4286      2.00000
      4      -3.0494      2.00000
      5      -2.0729      2.00000
      6       0.1452      2.00000
      7       0.6077      2.00000
      8       1.1851      2.00000
      9       2.4912      2.00000
     10       3.2513      2.00000
     11       3.3688      2.00000
     12       4.0129      2.00000
     13       4.2081      2.00000
     14       6.1790      2.00000
     15       6.8558      2.00000
     16       9.0718      2.00000
     17      15.4582      0.00000
     18      15.5601      0.00000
     19      16.2621      0.00000
     20      16.4796      0.00000
     21      17.9086      0.00000
     22      18.0033      0.00000
     23      18.0181      0.00000
     24      18.2378      0.00000
     25      20.0459      0.00000
     26      23.2564      0.00000
     27      23.3925      0.00000
     28      23.6572      0.00000
     29      24.4790      0.00000
     30      24.8622      0.00000
     31      25.4770      0.00000
     32      25.5988      0.00000
     33      29.0983      0.00000
     34      30.5574      0.00000
     35      30.6938      0.00000
     36      31.3644      0.00000
     37      32.0606      0.00000
     38      32.2498      0.00000
     39      32.4095      0.00000
     40      33.5045      0.00000

 k-point    24 :       0.3333    0.2000    0.0000
  band No.  band energies     occupation 
      1     -10.3485      2.00000
      2      -7.3575      2.00000
      3      -5.1263      2.00000
      4      -3.2702      2.00000
      5      -1.7793      2.00000
      6      -0.0711      2.00000
      7       0.4232      2.00000
      8       1.9621      2.00000
      9       2.0018      2.00000
     10       3.3334      2.00000
     11       3.5801      2.00000
     12       4.1551      2.00000
     13       4.6819      2.00000
     14       5.4715      2.00000
     15       6.2097      2.00000
     16       8.5788      2.00000
     17      15.4837      0.00000
     18      16.1506      0.00000
     19      16.2098      0.00000
     20      17.6101      0.00000
     21      18.5959      0.00000
     22      18.7806      0.00000
     23      18.8462      0.00000
     24      19.1675      0.00000
     25      21.2453      0.00000
     26      22.2702      0.00000
     27      22.5592      0.00000
     28      23.2737      0.00000
     29      23.6691      0.00000
     30      24.0021      0.00000
     31      25.0262      0.00000
     32      25.3246      0.00000
     33      28.5721      0.00000
     34      30.1552      0.00000
     35      30.3880      0.00000
     36      30.8939      0.00000
     37      31.6790      0.00000
     38      32.2108      0.00000
     39      32.4940      0.00000
     40      33.7108      0.00000

 k-point    25 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.9023      2.00000
      2      -8.1030      2.00000
      3      -4.7725      2.00000
      4      -3.5908      2.00000
      5      -1.4457      2.00000
      6      -0.3676      2.00000
      7       0.4524      2.00000
      8       1.4572      2.00000
      9       2.7356      2.00000
     10       3.4057      2.00000
     11       3.9837      2.00000
     12       3.9922      2.00000
     13       4.7760      2.00000
     14       5.4692      2.00000
     15       5.5817      2.00000
     16       7.9215      2.00000
     17      15.5603      0.00000
     18      15.9915      0.00000
     19      17.0869      0.00000
     20      18.8310      0.00000
     21      19.2862      0.00000
     22      19.6428      0.00000
     23      19.7189      0.00000
     24      19.8756      0.00000
     25      21.6773      0.00000
     26      21.7214      0.00000
     27      22.1825      0.00000
     28      22.5498      0.00000
     29      22.8892      0.00000
     30      23.0335      0.00000
     31      24.2186      0.00000
     32      25.0242      0.00000
     33      28.3146      0.00000
     34      29.4541      0.00000
     35      30.0688      0.00000
     36      31.2244      0.00000
     37      31.2468      0.00000
     38      32.0882      0.00000
     39      32.5961      0.00000
     40      33.2871      0.00000

 k-point    26 :       0.4667    0.2000    0.0000
  band No.  band energies     occupation 
      1      -9.3781      2.00000
      2      -8.7775      2.00000
      3      -4.3815      2.00000
      4      -3.9760      2.00000
      5      -1.0852      2.00000
      6      -0.7166      2.00000
      7       0.6639      2.00000
      8       1.0126      2.00000
      9       3.4220      2.00000
     10       3.5667      2.00000
     11       3.7779      2.00000
     12       4.0953      2.00000
     13       4.4569      2.00000
     14       4.9928      2.00000
     15       6.3130      2.00000
     16       7.1492      2.00000
     17      15.6786      0.00000
     18      15.8271      0.00000
     19      18.1061      0.00000
     20      19.1345      0.00000
     21      20.0380      0.00000
     22      20.0915      0.00000
     23      20.5162      0.00000
     24      20.9386      0.00000
     25      20.9663      0.00000
     26      21.3262      0.00000
     27      21.6267      0.00000
     28      22.0011      0.00000
     29      22.2349      0.00000
     30      23.2396      0.00000
     31      23.6450      0.00000
     32      24.4770      0.00000
     33      28.3553      0.00000
     34      28.7360      0.00000
     35      30.3216      0.00000
     36      30.7467      0.00000
     37      31.5845      0.00000
     38      31.8743      0.00000
     39      32.7386      0.00000
     40      32.9571      0.00000

 k-point    27 :       0.2667    0.2667    0.0000
  band No.  band energies     occupation 
      1     -10.4300      2.00000
      2      -6.2903      2.00000
      3      -6.2903      2.00000
      4      -3.3425      2.00000
      5      -1.8051      2.00000
      6       0.3500      2.00000
      7       0.9037      2.00000
      8       0.9037      2.00000
      9       2.7233      2.00000
     10       2.7233      2.00000
     11       4.0313      2.00000
     12       4.0313      2.00000
     13       4.5555      2.00000
     14       5.4803      2.00000
     15       6.2427      2.00000
     16       8.9610      2.00000
     17      15.6529      0.00000
     18      16.4435      0.00000
     19      16.4435      0.00000
     20      16.7674      0.00000
     21      18.1877      0.00000
     22      18.1896      0.00000
     23      18.8384      0.00000
     24      18.8384      0.00000
     25      21.2286      0.00000
     26      22.4821      0.00000
     27      22.4821      0.00000
     28      23.7458      0.00000
     29      24.0007      0.00000
     30      24.8700      0.00000
     31      24.8700      0.00000
     32      25.4476      0.00000
     33      28.2141      0.00000
     34      30.4791      0.00000
     35      30.7471      0.00000
     36      31.4140      0.00000
     37      31.4140      0.00000
     38      32.2091      0.00000
     39      32.2091      0.00000
     40      33.0632      0.00000

 k-point    28 :       0.3333    0.2667    0.0000
  band No.  band energies     occupation 
      1     -10.0649      2.00000
      2      -7.0937      2.00000
      3      -5.9688      2.00000
      4      -3.7372      2.00000
      5      -1.4878      2.00000
      6       0.3102      2.00000
      7       0.5427      2.00000
      8       1.5803      2.00000
      9       2.1733      2.00000
     10       3.0379      2.00000
     11       4.1208      2.00000
     12       4.7197      2.00000
     13       4.7874      2.00000
     14       4.8270      2.00000
     15       5.6107      2.00000
     16       8.6213      2.00000
     17      16.0595      0.00000
     18      16.4618      0.00000
     19      16.9115      0.00000
     20      17.5673      0.00000
     21      18.5054      0.00000
     22      18.9086      0.00000
     23      19.5174      0.00000
     24      19.6020      0.00000
     25      21.6523      0.00000
     26      21.7376      0.00000
     27      22.3943      0.00000
     28      23.3236      0.00000
     29      23.5565      0.00000
     30      24.0364      0.00000
     31      24.8655      0.00000
     32      25.0730      0.00000
     33      27.5729      0.00000
     34      30.1423      0.00000
     35      30.4127      0.00000
     36      30.9614      0.00000
     37      31.4945      0.00000
     38      31.8539      0.00000
     39      32.3454      0.00000
     40      33.3799      0.00000

 k-point    29 :       0.4000    0.2667    0.0000
  band No.  band energies     occupation 
      1      -9.6208      2.00000
      2      -7.8325      2.00000
      3      -5.5866      2.00000
      4      -4.1989      2.00000
      5      -1.1251      2.00000
      6       0.1309      2.00000
      7       0.4598      2.00000
      8       1.6417      2.00000
      9       2.2105      2.00000
     10       3.4295      2.00000
     11       4.1121      2.00000
     12       4.2689      2.00000
     13       4.7230      2.00000
     14       4.9947      2.00000
     15       5.6931      2.00000
     16       8.0786      2.00000
     17      16.5254      0.00000
     18      16.7415      0.00000
     19      16.8542      0.00000
     20      18.7764      0.00000
     21      18.9433      0.00000
     22      19.5216      0.00000
     23      19.8814      0.00000
     24      20.1549      0.00000
     25      21.1557      0.00000
     26      21.6970      0.00000
     27      22.3471      0.00000
     28      23.0228      0.00000
     29      23.0642      0.00000
     30      23.5065      0.00000
     31      24.4388      0.00000
     32      24.8234      0.00000
     33      27.3145      0.00000
     34      29.3301      0.00000
     35      30.1067      0.00000
     36      31.1757      0.00000
     37      31.3878      0.00000
     38      31.5301      0.00000
     39      32.4782      0.00000
     40      33.3567      0.00000

 k-point    30 :       0.4667    0.2667    0.0000
  band No.  band energies     occupation 
      1      -9.0992      2.00000
      2      -8.5022      2.00000
      3      -5.1530      2.00000
      4      -4.6827      2.00000
      5      -0.7251      2.00000
      6      -0.3002      2.00000
      7       0.7556      2.00000
      8       1.1597      2.00000
      9       2.8296      2.00000
     10       3.4600      2.00000
     11       3.8917      2.00000
     12       4.4168      2.00000
     13       4.4464      2.00000
     14       4.6138      2.00000
     15       6.5627      2.00000
     16       7.3757      2.00000
     17      16.6233      0.00000
     18      16.7408      0.00000
     19      17.6282      0.00000
     20      18.6221      0.00000
     21      19.4754      0.00000
     22      20.0194      0.00000
     23      20.0343      0.00000
     24      20.9405      0.00000
     25      21.2373      0.00000
     26      21.4466      0.00000
     27      22.0165      0.00000
     28      22.2530      0.00000
     29      22.5858      0.00000
     30      23.5751      0.00000
     31      24.2783      0.00000
     32      24.6764      0.00000
     33      27.5579      0.00000
     34      28.3033      0.00000
     35      30.3999      0.00000
     36      30.8724      0.00000
     37      31.3603      0.00000
     38      31.4855      0.00000
     39      32.6434      0.00000
     40      32.9075      0.00000

 k-point    31 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.7017      2.00000
      2      -6.7589      2.00000
      3      -6.7589      2.00000
      4      -4.2735      2.00000
      5      -1.1483      2.00000
      6       0.3908      2.00000
      7       1.1092      2.00000
      8       1.1092      2.00000
      9       2.4723      2.00000
     10       2.4723      2.00000
     11       4.1123      2.00000
     12       4.9907      2.00000
     13       4.9945      2.00000
     14       4.9946      2.00000
     15       5.1143      2.00000
     16       8.4479      2.00000
     17      16.2072      0.00000
     18      17.4935      0.00000
     19      17.5707      0.00000
     20      17.5707      0.00000
     21      18.5139      0.00000
     22      19.2418      0.00000
     23      19.8571      0.00000
     24      19.8571      0.00000
     25      21.3490      0.00000
     26      21.3490      0.00000
     27      22.8231      0.00000
     28      23.4533      0.00000
     29      23.6506      0.00000
     30      24.0847      0.00000
     31      24.0847      0.00000
     32      24.9383      0.00000
     33      26.8373      0.00000
     34      29.9746      0.00000
     35      30.5996      0.00000
     36      30.5996      0.00000
     37      31.0271      0.00000
     38      31.9853      0.00000
     39      31.9853      0.00000
     40      33.3363      0.00000

 k-point    32 :       0.4000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -9.2605      2.00000
      2      -7.4882      2.00000
      3      -6.3573      2.00000
      4      -4.8336      2.00000
      5      -0.7611      2.00000
      6       0.6187      2.00000
      7       0.6241      2.00000
      8       1.6654      2.00000
      9       1.9216      2.00000
     10       2.8511      2.00000
     11       3.4578      2.00000
     12       4.3853      2.00000
     13       5.1634      2.00000
     14       5.3250      2.00000
     15       5.8853      2.00000
     16       8.0568      2.00000
     17      16.6505      0.00000
     18      17.6096      0.00000
     19      17.7138      0.00000
     20      18.6490      0.00000
     21      18.7541      0.00000
     22      19.1596      0.00000
     23      19.6665      0.00000
     24      19.9940      0.00000
     25      21.6336      0.00000
     26      22.0366      0.00000
     27      22.0856      0.00000
     28      23.1168      0.00000
     29      23.4254      0.00000
     30      24.1402      0.00000
     31      24.1501      0.00000
     32      24.5468      0.00000
     33      26.7277      0.00000
     34      29.5664      0.00000
     35      29.9793      0.00000
     36      30.8149      0.00000
     37      31.0688      0.00000
     38      31.4631      0.00000
     39      32.0783      0.00000
     40      32.8868      0.00000

 k-point    33 :       0.4667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.7428      2.00000
      2      -8.1510      2.00000
      3      -5.8952      2.00000
      4      -5.3823      2.00000
      5      -0.3315      2.00000
      6       0.1326      2.00000
      7       0.9745      2.00000
      8       1.4146      2.00000
      9       2.2353      2.00000
     10       2.8315      2.00000
     11       3.3023      2.00000
     12       3.8174      2.00000
     13       5.3031      2.00000
     14       5.3730      2.00000
     15       6.7297      2.00000
     16       7.4707      2.00000
     17      17.3461      0.00000
     18      17.6691      0.00000
     19      17.7233      0.00000
     20      18.2190      0.00000
     21      18.9115      0.00000
     22      19.2751      0.00000
     23      19.9545      0.00000
     24      20.9905      0.00000
     25      21.0983      0.00000
     26      22.0608      0.00000
     27      22.2466      0.00000
     28      22.9052      0.00000
     29      22.9927      0.00000
     30      23.8762      0.00000
     31      24.2313      0.00000
     32      24.2930      0.00000
     33      27.4112      0.00000
     34      28.4616      0.00000
     35      30.3120      0.00000
     36      30.8623      0.00000
     37      30.9777      0.00000
     38      31.0601      0.00000
     39      32.1870      0.00000
     40      32.4170      0.00000

 k-point    34 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.8231      2.00000
      2      -7.0730      2.00000
      3      -7.0730      2.00000
      4      -5.4588      2.00000
      5      -0.3513      2.00000
      6       0.9116      2.00000
      7       1.1220      2.00000
      8       1.1220      2.00000
      9       2.2861      2.00000
     10       2.2861      2.00000
     11       2.8252      2.00000
     12       3.7895      2.00000
     13       5.7545      2.00000
     14       6.0232      2.00000
     15       6.0232      2.00000
     16       7.8339      2.00000
     17      16.8377      0.00000
     18      18.3603      0.00000
     19      18.4627      0.00000
     20      18.7501      0.00000
     21      18.7501      0.00000
     22      18.8024      0.00000
     23      18.8024      0.00000
     24      20.3860      0.00000
     25      21.6202      0.00000
     26      22.5252      0.00000
     27      22.5252      0.00000
     28      23.2083      0.00000
     29      23.2083      0.00000
     30      23.5974      0.00000
     31      24.0478      0.00000
     32      24.4495      0.00000
     33      27.0674      0.00000
     34      29.9241      0.00000
     35      29.9569      0.00000
     36      29.9569      0.00000
     37      30.9073      0.00000
     38      31.4601      0.00000
     39      31.4601      0.00000
     40      32.1890      0.00000

 k-point    35 :       0.4667    0.4000    0.0000
  band No.  band energies     occupation 
      1      -8.3106      2.00000
      2      -7.7260      2.00000
      3      -6.5914      2.00000
      4      -6.0499      2.00000
      5       0.1033      2.00000
      6       0.5973      2.00000
      7       1.2971      2.00000
      8       1.6548      2.00000
      9       1.7613      2.00000
     10       2.2226      2.00000
     11       2.7258      2.00000
     12       3.2310      2.00000
     13       5.9976      2.00000
     14       6.0743      2.00000
     15       6.7881      2.00000
     16       7.4051      2.00000
     17      17.2947      0.00000
     18      17.9749      0.00000
     19      18.4233      0.00000
     20      18.5420      0.00000
     21      18.6550      0.00000
     22      18.7374      0.00000
     23      19.8733      0.00000
     24      20.8725      0.00000
     25      21.1671      0.00000
     26      22.1689      0.00000
     27      23.0382      0.00000
     28      23.3703      0.00000
     29      23.3881      0.00000
     30      23.4454      0.00000
     31      23.6534      0.00000
     32      24.0635      0.00000
     33      27.9748      0.00000
     34      28.9890      0.00000
     35      30.1911      0.00000
     36      30.3480      0.00000
     37      30.6704      0.00000
     38      30.7649      0.00000
     39      31.4808      0.00000
     40      31.6880      0.00000

 k-point    36 :       0.4667    0.4667    0.0000
  band No.  band energies     occupation 
      1      -7.8054      2.00000
      2      -7.2305      2.00000
      3      -7.2305      2.00000
      4      -6.6696      2.00000
      5       0.5814      2.00000
      6       1.1005      2.00000
      7       1.1005      2.00000
      8       1.6433      2.00000
      9       1.7064      2.00000
     10       2.1877      2.00000
     11       2.1877      2.00000
     12       2.6820      2.00000
     13       6.4461      2.00000
     14       6.7044      2.00000
     15       6.7044      2.00000
     16       7.1530      2.00000
     17      17.4918      0.00000
     18      17.9236      0.00000
     19      17.9236      0.00000
     20      18.0784      0.00000
     21      19.3529      0.00000
     22      19.7165      0.00000
     23      19.7165      0.00000
     24      20.4495      0.00000
     25      21.6204      0.00000
     26      22.4158      0.00000
     27      22.4158      0.00000
     28      22.9157      0.00000
     29      23.6745      0.00000
     30      23.6745      0.00000
     31      23.7217      0.00000
     32      24.0254      0.00000
     33      28.7858      0.00000
     34      29.6059      0.00000
     35      29.6059      0.00000
     36      30.1824      0.00000
     37      30.3016      0.00000
     38      30.7698      0.00000
     39      30.7698      0.00000
     40      31.0702      0.00000

 k-point    37 :       0.0667    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.6174      2.00000
      2      -3.9742      2.00000
      3      -3.9742      2.00000
      4      -3.9742      2.00000
      5      -1.8523      2.00000
      6      -1.8523      2.00000
      7      -1.8523      2.00000
      8       3.1174      2.00000
      9       3.1174      2.00000
     10       3.1174      2.00000
     11       3.5993      2.00000
     12       3.5993      2.00000
     13       3.5993      2.00000
     14       9.0033      2.00000
     15       9.6171      2.00000
     16       9.6171      2.00000
     17      14.5697      0.00000
     18      14.5697      0.00000
     19      14.5697      0.00000
     20      15.4044      0.00000
     21      15.4044      0.00000
     22      15.4044      0.00000
     23      15.7254      0.00000
     24      15.7254      0.00000
     25      15.9446      0.00000
     26      23.4332      0.00000
     27      26.4049      0.00000
     28      26.4049      0.00000
     29      26.4049      0.00000
     30      26.4989      0.00000
     31      26.4989      0.00000
     32      26.4989      0.00000
     33      29.4334      0.00000
     34      32.6331      0.00000
     35      32.6331      0.00000
     36      32.6331      0.00000
     37      33.2999      0.00000
     38      33.2999      0.00000
     39      33.2999      0.00000
     40      34.7500      0.00000

 k-point    38 :       0.1333    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.4939      2.00000
      2      -4.9727      2.00000
      3      -3.8851      2.00000
      4      -3.8851      2.00000
      5      -1.7991      2.00000
      6      -1.7991      2.00000
      7      -0.7535      2.00000
      8       2.6857      2.00000
      9       2.6857      2.00000
     10       3.2540      2.00000
     11       3.5777      2.00000
     12       3.5777      2.00000
     13       3.7190      2.00000
     14       8.4313      2.00000
     15       9.1826      2.00000
     16       9.5376      2.00000
     17      14.4247      0.00000
     18      14.8673      0.00000
     19      14.8673      0.00000
     20      15.6459      0.00000
     21      15.8337      0.00000
     22      16.0406      0.00000
     23      16.0406      0.00000
     24      16.2590      0.00000
     25      16.3861      0.00000
     26      23.5113      0.00000
     27      26.0117      0.00000
     28      26.0714      0.00000
     29      26.0714      0.00000
     30      26.0885      0.00000
     31      26.3527      0.00000
     32      26.3527      0.00000
     33      29.6302      0.00000
     34      32.1656      0.00000
     35      32.1656      0.00000
     36      32.4737      0.00000
     37      33.1768      0.00000
     38      33.2583      0.00000
     39      33.2583      0.00000
     40      33.2868      0.00000

 k-point    39 :       0.2000    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.2883      2.00000
      2      -5.9180      2.00000
      3      -3.7420      2.00000
      4      -3.7420      2.00000
      5      -1.7229      2.00000
      6      -1.7229      2.00000
      7       0.3486      2.00000
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      9       2.2092      2.00000
     10       3.3978      2.00000
     11       3.3978      2.00000
     12       3.4859      2.00000
     13       3.9176      2.00000
     14       7.7659      2.00000
     15       8.5918      2.00000
     16       9.2169      2.00000
     17      14.3332      0.00000
     18      15.4437      0.00000
     19      15.4437      0.00000
     20      15.5042      0.00000
     21      16.3988      0.00000
     22      16.9245      0.00000
     23      16.9245      0.00000
     24      17.0138      0.00000
     25      17.0656      0.00000
     26      23.5340      0.00000
     27      25.4082      0.00000
     28      25.4644      0.00000
     29      25.4902      0.00000
     30      25.4902      0.00000
     31      26.0943      0.00000
     32      26.0943      0.00000
     33      29.9414      0.00000
     34      31.6071      0.00000
     35      31.6071      0.00000
     36      31.6566      0.00000
     37      32.2000      0.00000
     38      33.0695      0.00000
     39      33.0695      0.00000
     40      33.2463      0.00000

 k-point    40 :       0.2667    0.0667    0.0667
  band No.  band energies     occupation 
      1     -11.0011      2.00000
      2      -6.8036      2.00000
      3      -3.5550      2.00000
      4      -3.5550      2.00000
      5      -1.6448      2.00000
      6      -1.6448      2.00000
      7       1.4298      2.00000
      8       1.7545      2.00000
      9       1.7545      2.00000
     10       3.1140      2.00000
     11       3.1140      2.00000
     12       3.8212      2.00000
     13       4.1935      2.00000
     14       7.0601      2.00000
     15       7.9348      2.00000
     16       8.6994      2.00000
     17      14.3053      0.00000
     18      15.3244      0.00000
     19      16.2651      0.00000
     20      16.2651      0.00000
     21      17.0872      0.00000
     22      17.8983      0.00000
     23      17.9010      0.00000
     24      17.9734      0.00000
     25      17.9734      0.00000
     26      23.3466      0.00000
     27      24.6485      0.00000
     28      24.6818      0.00000
     29      24.6818      0.00000
     30      24.6846      0.00000
     31      25.6696      0.00000
     32      25.6696      0.00000
     33      30.3403      0.00000
     34      30.5205      0.00000
     35      31.0363      0.00000
     36      31.0363      0.00000
     37      31.8314      0.00000
     38      32.8073      0.00000
     39      32.8073      0.00000
     40      33.1421      0.00000

 k-point    41 :       0.3333    0.0667    0.0667
  band No.  band energies     occupation 
      1     -10.6330      2.00000
      2      -7.6241      2.00000
      3      -3.3428      2.00000
      4      -3.3428      2.00000
      5      -1.5935      2.00000
      6      -1.5935      2.00000
      7       1.3842      2.00000
      8       1.3842      2.00000
      9       2.4560      2.00000
     10       2.7947      2.00000
     11       2.7947      2.00000
     12       4.2766      2.00000
     13       4.5449      2.00000
     14       6.3455      2.00000
     15       7.2665      2.00000
     16       8.0333      2.00000
     17      14.3382      0.00000
     18      15.1240      0.00000
     19      17.2697      0.00000
     20      17.2697      0.00000
     21      17.8966      0.00000
     22      18.8329      0.00000
     23      18.8550      0.00000
     24      19.1167      0.00000
     25      19.1167      0.00000
     26      22.8132      0.00000
     27      23.6985      0.00000
     28      23.6985      0.00000
     29      23.7808      0.00000
     30      23.7985      0.00000
     31      25.0309      0.00000
     32      25.0309      0.00000
     33      29.9083      0.00000
     34      30.5348      0.00000
     35      30.5348      0.00000
     36      30.8133      0.00000
     37      31.3949      0.00000
     38      32.5634      0.00000
     39      32.5634      0.00000
     40      32.9462      0.00000

 k-point    42 :       0.4000    0.0667    0.0667
  band No.  band energies     occupation 
      1     -10.1850      2.00000
      2      -8.3755      2.00000
      3      -3.1405      2.00000
      4      -3.1405      2.00000
      5      -1.5898      2.00000
      6      -1.5898      2.00000
      7       1.1443      2.00000
      8       1.1443      2.00000
      9       2.5121      2.00000
     10       2.5121      2.00000
     11       3.3852      2.00000
     12       4.8750      2.00000
     13       4.9683      2.00000
     14       5.6369      2.00000
     15       6.6192      2.00000
     16       7.2638      2.00000
     17      14.4251      0.00000
     18      14.9196      0.00000
     19      18.3821      0.00000
     20      18.3821      0.00000
     21      18.8206      0.00000
     22      19.8196      0.00000
     23      19.8491      0.00000
     24      20.2390      0.00000
     25      20.2390      0.00000
     26      21.9520      0.00000
     27      22.6710      0.00000
     28      22.6710      0.00000
     29      22.8424      0.00000
     30      22.8434      0.00000
     31      24.1710      0.00000
     32      24.1710      0.00000
     33      29.8079      0.00000
     34      30.1754      0.00000
     35      30.1754      0.00000
     36      30.9208      0.00000
     37      31.3108      0.00000
     38      32.3911      0.00000
     39      32.3911      0.00000
     40      32.6497      0.00000

 k-point    43 :       0.4667    0.0667    0.0667
  band No.  band energies     occupation 
      1      -9.6583      2.00000
      2      -9.0544      2.00000
      3      -3.0073      2.00000
      4      -3.0073      2.00000
      5      -1.6142      2.00000
      6      -1.6142      2.00000
      7       1.0385      2.00000
      8       1.0385      2.00000
      9       2.3414      2.00000
     10       2.3414      2.00000
     11       4.1978      2.00000
     12       4.9305      2.00000
     13       5.4596      2.00000
     14       5.6150      2.00000
     15       6.0127      2.00000
     16       6.4378      2.00000
     17      14.5578      0.00000
     18      14.7265      0.00000
     19      19.4490      0.00000
     20      19.4490      0.00000
     21      19.8402      0.00000
     22      20.7514      0.00000
     23      20.7514      0.00000
     24      20.8219      0.00000
     25      20.8573      0.00000
     26      20.9234      0.00000
     27      21.8475      0.00000
     28      21.8609      0.00000
     29      22.2572      0.00000
     30      22.2572      0.00000
     31      23.1699      0.00000
     32      23.1699      0.00000
     33      29.9931      0.00000
     34      29.9931      0.00000
     35      30.0428      0.00000
     36      30.4491      0.00000
     37      31.8052      0.00000
     38      32.2618      0.00000
     39      32.3052      0.00000
     40      32.3052      0.00000

 k-point    44 :       0.1333    0.1333    0.0667
  band No.  band energies     occupation 
      1     -11.3705      2.00000
      2      -4.8733      2.00000
      3      -4.8733      2.00000
      4      -3.8035      2.00000
      5      -1.7606      2.00000
      6      -0.7374      2.00000
      7      -0.7374      2.00000
      8       2.1409      2.00000
      9       2.8442      2.00000
     10       2.8442      2.00000
     11       3.7020      2.00000
     12       3.7020      2.00000
     13       3.8039      2.00000
     14       7.8099      2.00000
     15       8.9029      2.00000
     16       9.4840      2.00000
     17      14.7891      0.00000
     18      14.7891      0.00000
     19      14.8734      0.00000
     20      15.9456      0.00000
     21      16.3969      0.00000
     22      16.3969      0.00000
     23      16.4010      0.00000
     24      16.6934      0.00000
     25      16.8521      0.00000
     26      23.6114      0.00000
     27      25.6016      0.00000
     28      25.6016      0.00000
     29      25.8201      0.00000
     30      26.0069      0.00000
     31      26.0069      0.00000
     32      26.1872      0.00000
     33      29.8012      0.00000
     34      31.4846      0.00000
     35      32.1805      0.00000
     36      32.1805      0.00000
     37      32.9472      0.00000
     38      33.1445      0.00000
     39      33.1445      0.00000
     40      33.5421      0.00000

 k-point    45 :       0.2000    0.1333    0.0667
  band No.  band energies     occupation 
      1     -11.1651      2.00000
      2      -5.8118      2.00000
      3      -4.7111      2.00000
      4      -3.6770      2.00000
      5      -1.7133      2.00000
      6      -0.7323      2.00000
      7       0.3042      2.00000
      8       1.6216      2.00000
      9       2.4002      2.00000
     10       3.1183      2.00000
     11       3.5403      2.00000
     12       3.8491      2.00000
     13       3.9108      2.00000
     14       7.1179      2.00000
     15       8.3597      2.00000
     16       9.2881      2.00000
     17      14.7376      0.00000
     18      15.1868      0.00000
     19      15.4102      0.00000
     20      15.9213      0.00000
     21      16.9113      0.00000
     22      17.0219      0.00000
     23      17.2197      0.00000
     24      17.2245      0.00000
     25      17.8554      0.00000
     26      23.6704      0.00000
     27      24.9090      0.00000
     28      24.9416      0.00000
     29      25.3119      0.00000
     30      25.4304      0.00000
     31      25.8887      0.00000
     32      25.9515      0.00000
     33      30.0722      0.00000
     34      30.7882      0.00000
     35      31.6836      0.00000
     36      31.7665      0.00000
     37      32.1121      0.00000
     38      32.9626      0.00000
     39      32.9975      0.00000
     40      33.6041      0.00000

 k-point    46 :       0.2667    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.8784      2.00000
      2      -6.6926      2.00000
      3      -4.4919      2.00000
      4      -3.5245      2.00000
      5      -1.6808      2.00000
      6      -0.7717      2.00000
      7       1.2009      2.00000
      8       1.2868      2.00000
      9       1.9878      2.00000
     10       3.2960      2.00000
     11       3.5219      2.00000
     12       3.7365      2.00000
     13       4.2099      2.00000
     14       6.4008      2.00000
     15       7.7292      2.00000
     16       8.8778      2.00000
     17      14.7344      0.00000
     18      15.7676      0.00000
     19      15.7972      0.00000
     20      16.2575      0.00000
     21      17.5603      0.00000
     22      17.8712      0.00000
     23      17.9114      0.00000
     24      18.2274      0.00000
     25      18.9795      0.00000
     26      23.5330      0.00000
     27      24.0059      0.00000
     28      24.1566      0.00000
     29      24.5525      0.00000
     30      24.6778      0.00000
     31      25.5942      0.00000
     32      25.6769      0.00000
     33      30.1407      0.00000
     34      30.4173      0.00000
     35      30.6859      0.00000
     36      31.0117      0.00000
     37      31.8918      0.00000
     38      32.8054      0.00000
     39      32.8489      0.00000
     40      33.4570      0.00000

 k-point    47 :       0.3333    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.5110      2.00000
      2      -7.5097      2.00000
      3      -4.2261      2.00000
      4      -3.3853      2.00000
      5      -1.6756      2.00000
      6      -0.8903      2.00000
      7       0.9451      2.00000
      8       1.6514      2.00000
      9       2.1689      2.00000
     10       3.0522      2.00000
     11       3.5193      2.00000
     12       4.0555      2.00000
     13       4.6186      2.00000
     14       5.6855      2.00000
     15       7.0765      2.00000
     16       8.2874      2.00000
     17      14.7830      0.00000
     18      15.5785      0.00000
     19      16.6486      0.00000
     20      17.2761      0.00000
     21      18.3349      0.00000
     22      18.7181      0.00000
     23      18.8170      0.00000
     24      19.3138      0.00000
     25      20.1595      0.00000
     26      22.9825      0.00000
     27      23.0560      0.00000
     28      23.2931      0.00000
     29      23.5993      0.00000
     30      23.8039      0.00000
     31      25.0453      0.00000
     32      25.3100      0.00000
     33      29.6078      0.00000
     34      30.0747      0.00000
     35      30.2810      0.00000
     36      30.8403      0.00000
     37      31.5316      0.00000
     38      32.6729      0.00000
     39      32.7038      0.00000
     40      33.2007      0.00000

 k-point    48 :       0.4000    0.1333    0.0667
  band No.  band energies     occupation 
      1     -10.0637      2.00000
      2      -8.2585      2.00000
      3      -3.9323      2.00000
      4      -3.3285      2.00000
      5      -1.6580      2.00000
      6      -1.0943      2.00000
      7       0.8812      2.00000
      8       1.3872      2.00000
      9       2.8973      2.00000
     10       2.9386      2.00000
     11       3.2624      2.00000
     12       4.6543      2.00000
     13       4.9863      2.00000
     14       5.1892      2.00000
     15       6.4352      2.00000
     16       7.5653      2.00000
     17      14.8798      0.00000
     18      15.3797      0.00000
     19      17.6651      0.00000
     20      18.3902      0.00000
     21      19.2254      0.00000
     22      19.5973      0.00000
     23      19.8130      0.00000
     24      20.2583      0.00000
     25      21.2222      0.00000
     26      22.0896      0.00000
     27      22.2459      0.00000
     28      22.3836      0.00000
     29      22.6412      0.00000
     30      22.8519      0.00000
     31      24.2671      0.00000
     32      24.7173      0.00000
     33      29.2565      0.00000
     34      29.6558      0.00000
     35      29.9779      0.00000
     36      31.0893      0.00000
     37      31.2763      0.00000
     38      32.4278      0.00000
     39      32.6636      0.00000
     40      32.9552      0.00000

 k-point    49 :       0.4667    0.1333    0.0667
  band No.  band energies     occupation 
      1      -9.5381      2.00000
      2      -8.9356      2.00000
      3      -3.6442      2.00000
      4      -3.4195      2.00000
      5      -1.5498      2.00000
      6      -1.3396      2.00000
      7       0.9752      2.00000
      8       1.1612      2.00000
      9       2.8920      2.00000
     10       3.0315      2.00000
     11       3.6341      2.00000
     12       4.3061      2.00000
     13       5.2366      2.00000
     14       5.8217      2.00000
     15       5.9378      2.00000
     16       6.7617      2.00000
     17      15.0179      0.00000
     18      15.1883      0.00000
     19      18.7363      0.00000
     20      19.3142      0.00000
     21      20.2105      0.00000
     22      20.3120      0.00000
     23      20.5161      0.00000
     24      20.8275      0.00000
     25      20.9956      0.00000
     26      21.2543      0.00000
     27      21.4518      0.00000
     28      21.8543      0.00000
     29      22.3006      0.00000
     30      22.8684      0.00000
     31      23.3144      0.00000
     32      23.8779      0.00000
     33      29.1327      0.00000
     34      29.2610      0.00000
     35      30.2177      0.00000
     36      30.6263      0.00000
     37      31.7080      0.00000
     38      32.1013      0.00000
     39      32.6870      0.00000
     40      32.7812      0.00000

 k-point    50 :       0.2000    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.9603      2.00000
      2      -5.6370      2.00000
      3      -5.6370      2.00000
      4      -3.5879      2.00000
      5      -1.7180      2.00000
      6       0.1986      2.00000
      7       0.1986      2.00000
      8       1.1344      2.00000
      9       2.7293      2.00000
     10       2.7293      2.00000
     11       3.7893      2.00000
     12       3.7893      2.00000
     13       4.1377      2.00000
     14       6.4132      2.00000
     15       7.8611      2.00000
     16       9.2451      2.00000
     17      15.2274      0.00000
     18      15.3947      0.00000
     19      15.3947      0.00000
     20      16.3158      0.00000
     21      17.2227      0.00000
     22      17.5272      0.00000
     23      17.6833      0.00000
     24      17.6833      0.00000
     25      18.9331      0.00000
     26      23.7926      0.00000
     27      24.1900      0.00000
     28      24.1900      0.00000
     29      24.9396      0.00000
     30      25.4009      0.00000
     31      25.4009      0.00000
     32      25.7278      0.00000
     33      29.9824      0.00000
     34      30.2813      0.00000
     35      31.5510      0.00000
     36      31.7745      0.00000
     37      31.7745      0.00000
     38      32.7677      0.00000
     39      32.7677      0.00000
     40      33.3271      0.00000

 k-point    51 :       0.2667    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.6744      2.00000
      2      -6.5091      2.00000
      3      -5.3974      2.00000
      4      -3.5153      2.00000
      5      -1.7458      2.00000
      6      -0.0007      2.00000
      7       0.8233      2.00000
      8       1.0270      2.00000
      9       2.3654      2.00000
     10       3.1903      2.00000
     11       3.6296      2.00000
     12       4.1709      2.00000
     13       4.2457      2.00000
     14       5.6934      2.00000
     15       7.2614      2.00000
     16       8.9830      2.00000
     17      15.4159      0.00000
     18      15.5881      0.00000
     19      16.2660      0.00000
     20      16.3602      0.00000
     21      17.8853      0.00000
     22      17.9877      0.00000
     23      18.2798      0.00000
     24      18.6271      0.00000
     25      20.0978      0.00000
     26      23.2548      0.00000
     27      23.3946      0.00000
     28      23.7476      0.00000
     29      24.3058      0.00000
     30      24.6905      0.00000
     31      25.3399      0.00000
     32      25.4291      0.00000
     33      29.2518      0.00000
     34      30.5493      0.00000
     35      30.8035      0.00000
     36      31.0765      0.00000
     37      31.7999      0.00000
     38      32.5086      0.00000
     39      32.6975      0.00000
     40      33.5163      0.00000

 k-point    52 :       0.3333    0.2000    0.0667
  band No.  band energies     occupation 
      1     -10.3080      2.00000
      2      -7.3200      2.00000
      3      -5.0993      2.00000
      4      -3.5321      2.00000
      5      -1.7506      2.00000
      6      -0.3012      2.00000
      7       0.7268      2.00000
      8       1.7434      2.00000
      9       2.0272      2.00000
     10       3.5237      2.00000
     11       3.7280      2.00000
     12       4.1960      2.00000
     13       4.7251      2.00000
     14       4.9829      2.00000
     15       6.6303      2.00000
     16       8.5090      2.00000
     17      15.4794      0.00000
     18      16.2337      0.00000
     19      16.2382      0.00000
     20      17.2974      0.00000
     21      18.5822      0.00000
     22      18.7891      0.00000
     23      19.0015      0.00000
     24      19.6124      0.00000
     25      21.2824      0.00000
     26      22.2739      0.00000
     27      22.5621      0.00000
     28      23.3819      0.00000
     29      23.4331      0.00000
     30      23.8280      0.00000
     31      25.0027      0.00000
     32      25.2131      0.00000
     33      28.6560      0.00000
     34      30.1761      0.00000
     35      30.2496      0.00000
     36      30.8817      0.00000
     37      31.6451      0.00000
     38      32.2652      0.00000
     39      32.7164      0.00000
     40      33.7378      0.00000

 k-point    53 :       0.4000    0.2000    0.0667
  band No.  band energies     occupation 
      1      -9.8620      2.00000
      2      -8.0644      2.00000
      3      -4.7537      2.00000
      4      -3.7034      2.00000
      5      -1.6425      2.00000
      6      -0.6697      2.00000
      7       0.8208      2.00000
      8       1.6895      2.00000
      9       2.3861      2.00000
     10       3.5316      2.00000
     11       4.0401      2.00000
     12       4.2753      2.00000
     13       4.2956      2.00000
     14       5.4523      2.00000
     15       6.0039      2.00000
     16       7.8652      2.00000
     17      15.5835      0.00000
     18      16.0631      0.00000
     19      17.1125      0.00000
     20      18.4082      0.00000
     21      19.2779      0.00000
     22      19.7825      0.00000
     23      19.8325      0.00000
     24      20.1302      0.00000
     25      21.7218      0.00000
     26      21.7877      0.00000
     27      22.0260      0.00000
     28      22.6767      0.00000
     29      22.7883      0.00000
     30      22.8704      0.00000
     31      24.3671      0.00000
     32      24.9528      0.00000
     33      28.2803      0.00000
     34      29.2693      0.00000
     35      30.1631      0.00000
     36      31.2206      0.00000
     37      31.2822      0.00000
     38      32.0669      0.00000
     39      32.7815      0.00000
     40      33.3732      0.00000

 k-point    54 :       0.4667    0.2000    0.0667
  band No.  band energies     occupation 
      1      -9.3382      2.00000
      2      -8.7381      2.00000
      3      -4.3794      2.00000
      4      -4.0100      2.00000
      5      -1.3954      2.00000
      6      -1.0528      2.00000
      7       1.0477      2.00000
      8       1.3524      2.00000
      9       3.0063      2.00000
     10       3.6377      2.00000
     11       3.6509      2.00000
     12       3.8388      2.00000
     13       4.8266      2.00000
     14       5.4006      2.00000
     15       6.2747      2.00000
     16       7.1019      2.00000
     17      15.7222      0.00000
     18      15.8863      0.00000
     19      18.1191      0.00000
     20      19.0056      0.00000
     21      20.0016      0.00000
     22      20.0389      0.00000
     23      20.6503      0.00000
     24      20.8075      0.00000
     25      20.9882      0.00000
     26      21.0435      0.00000
     27      21.7753      0.00000
     28      21.8629      0.00000
     29      22.5070      0.00000
     30      23.4817      0.00000
     31      23.6733      0.00000
     32      24.4545      0.00000
     33      28.2264      0.00000
     34      28.5646      0.00000
     35      30.4142      0.00000
     36      30.8318      0.00000
     37      31.5496      0.00000
     38      31.8376      0.00000
     39      32.8958      0.00000
     40      33.0841      0.00000

 k-point    55 :       0.2667    0.2667    0.0667
  band No.  band energies     occupation 
      1     -10.3895      2.00000
      2      -6.2557      2.00000
      3      -6.2557      2.00000
      4      -3.6009      2.00000
      5      -1.7896      2.00000
      6       0.6553      2.00000
      7       0.6553      2.00000
      8       0.6700      2.00000
      9       2.8313      2.00000
     10       2.8313      2.00000
     11       4.1535      2.00000
     12       4.1535      2.00000
     13       4.5901      2.00000
     14       4.9772      2.00000
     15       6.6883      2.00000
     16       8.8862      2.00000
     17      15.6845      0.00000
     18      16.3035      0.00000
     19      16.3035      0.00000
     20      16.8384      0.00000
     21      18.1367      0.00000
     22      18.1781      0.00000
     23      19.1522      0.00000
     24      19.1522      0.00000
     25      21.2728      0.00000
     26      22.4842      0.00000
     27      22.4842      0.00000
     28      23.8500      0.00000
     29      23.8660      0.00000
     30      24.7047      0.00000
     31      24.7047      0.00000
     32      25.1677      0.00000
     33      28.4559      0.00000
     34      30.6033      0.00000
     35      30.7280      0.00000
     36      31.2091      0.00000
     37      31.2091      0.00000
     38      32.4509      0.00000
     39      32.4509      0.00000
     40      33.0925      0.00000

 k-point    56 :       0.3333    0.2667    0.0667
  band No.  band energies     occupation 
      1     -10.0245      2.00000
      2      -7.0570      2.00000
      3      -5.9366      2.00000
      4      -3.8467      2.00000
      5      -1.7168      2.00000
      6       0.2076      2.00000
      7       0.7225      2.00000
      8       1.2349      2.00000
      9       2.4374      2.00000
     10       3.3188      2.00000
     11       4.2074      2.00000
     12       4.2749      2.00000
     13       4.7539      2.00000
     14       4.8657      2.00000
     15       6.0795      2.00000
     16       8.5632      2.00000
     17      16.0917      0.00000
     18      16.3744      0.00000
     19      16.9569      0.00000
     20      17.3411      0.00000
     21      18.4948      0.00000
     22      18.8340      0.00000
     23      19.7737      0.00000
     24      19.9398      0.00000
     25      21.6754      0.00000
     26      21.7412      0.00000
     27      22.4231      0.00000
     28      23.1665      0.00000
     29      23.6773      0.00000
     30      23.8656      0.00000
     31      24.7132      0.00000
     32      24.8355      0.00000
     33      27.8146      0.00000
     34      30.2674      0.00000
     35      30.2898      0.00000
     36      30.9332      0.00000
     37      31.3245      0.00000
     38      32.0843      0.00000
     39      32.5360      0.00000
     40      33.4248      0.00000

 k-point    57 :       0.4000    0.2667    0.0667
  band No.  band energies     occupation 
      1      -9.5807      2.00000
      2      -7.7945      2.00000
      3      -5.5587      2.00000
      4      -4.2308      2.00000
      5      -1.4938      2.00000
      6      -0.2691      2.00000
      7       0.9273      2.00000
      8       1.7912      2.00000
      9       2.0212      2.00000
     10       3.6005      2.00000
     11       3.8145      2.00000
     12       4.3318      2.00000
     13       4.7591      2.00000
     14       5.4720      2.00000
     15       5.6926      2.00000
     16       8.0349      2.00000
     17      16.4770      0.00000
     18      16.7713      0.00000
     19      16.8789      0.00000
     20      18.4378      0.00000
     21      18.9401      0.00000
     22      19.7731      0.00000
     23      19.7746      0.00000
     24      20.3307      0.00000
     25      21.1912      0.00000
     26      21.8748      0.00000
     27      22.1401      0.00000
     28      22.9066      0.00000
     29      23.1632      0.00000
     30      23.5141      0.00000
     31      24.3943      0.00000
     32      24.6971      0.00000
     33      27.4348      0.00000
     34      29.2461      0.00000
     35      30.2284      0.00000
     36      31.1442      0.00000
     37      31.3056      0.00000
     38      31.6869      0.00000
     39      32.6509      0.00000
     40      33.4864      0.00000

 k-point    58 :       0.4667    0.2667    0.0667
  band No.  band energies     occupation 
      1      -9.0596      2.00000
      2      -8.4633      2.00000
      3      -5.1331      2.00000
      4      -4.6791      2.00000
      5      -1.1532      2.00000
      6      -0.7341      2.00000
      7       1.2356      2.00000
      8       1.6104      2.00000
      9       2.3608      2.00000
     10       2.9619      2.00000
     11       4.3340      2.00000
     12       4.4951      2.00000
     13       4.6544      2.00000
     14       4.8869      2.00000
     15       6.5434      2.00000
     16       7.3441      2.00000
     17      16.6047      0.00000
     18      16.7456      0.00000
     19      17.6499      0.00000
     20      18.5896      0.00000
     21      19.4828      0.00000
     22      19.8695      0.00000
     23      20.0681      0.00000
     24      20.7963      0.00000
     25      21.0141      0.00000
     26      21.5250      0.00000
     27      21.9399      0.00000
     28      22.4190      0.00000
     29      22.7946      0.00000
     30      23.6800      0.00000
     31      24.2813      0.00000
     32      24.5998      0.00000
     33      27.5515      0.00000
     34      28.2451      0.00000
     35      30.5141      0.00000
     36      30.9590      0.00000
     37      31.3326      0.00000
     38      31.4813      0.00000
     39      32.8061      0.00000
     40      33.0584      0.00000

 k-point    59 :       0.3333    0.3333    0.0667
  band No.  band energies     occupation 
      1      -9.6617      2.00000
      2      -6.7236      2.00000
      3      -6.7236      2.00000
      4      -4.3046      2.00000
      5      -1.5343      2.00000
      6       0.6912      2.00000
      7       0.6912      2.00000
      8       0.8813      2.00000
      9       2.8619      2.00000
     10       2.8619      2.00000
     11       3.5832      2.00000
     12       5.0293      2.00000
     13       5.0293      2.00000
     14       5.1449      2.00000
     15       5.4910      2.00000
     16       8.4047      2.00000
     17      16.2405      0.00000
     18      17.4092      0.00000
     19      17.4092      0.00000
     20      17.5128      0.00000
     21      18.5073      0.00000
     22      19.1389      0.00000
     23      20.0516      0.00000
     24      20.0516      0.00000
     25      21.4422      0.00000
     26      21.4422      0.00000
     27      22.6951      0.00000
     28      23.4663      0.00000
     29      23.7861      0.00000
     30      23.9236      0.00000
     31      23.9236      0.00000
     32      24.5700      0.00000
     33      27.2072      0.00000
     34      30.1181      0.00000
     35      30.5225      0.00000
     36      30.5225      0.00000
     37      30.9948      0.00000
     38      32.1659      0.00000
     39      32.1659      0.00000
     40      33.3802      0.00000

 k-point    60 :       0.4000    0.3333    0.0667
  band No.  band energies     occupation 
      1      -9.2208      2.00000
      2      -7.4511      2.00000
      3      -6.3244      2.00000
      4      -4.8294      2.00000
      5      -1.2287      2.00000
      6       0.1487      2.00000
      7       1.1563      2.00000
      8       1.1896      2.00000
      9       2.3909      2.00000
     10       2.9222      2.00000
     11       3.3142      2.00000
     12       4.9027      2.00000
     13       5.1953      2.00000
     14       5.3538      2.00000
     15       5.8944      2.00000
     16       8.0272      2.00000
     17      16.6822      0.00000
     18      17.4980      0.00000
     19      17.7055      0.00000
     20      18.4743      0.00000
     21      18.6512      0.00000
     22      19.3378      0.00000
     23      19.7443      0.00000
     24      19.8617      0.00000
     25      21.7629      0.00000
     26      21.9399      0.00000
     27      22.2020      0.00000
     28      22.9872      0.00000
     29      23.5804      0.00000
     30      23.9086      0.00000
     31      24.0189      0.00000
     32      24.5355      0.00000
     33      27.0084      0.00000
     34      29.5379      0.00000
     35      30.1264      0.00000
     36      30.7496      0.00000
     37      31.0435      0.00000
     38      31.6512      0.00000
     39      32.2554      0.00000
     40      33.0680      0.00000

 k-point    61 :       0.4667    0.3333    0.0667
  band No.  band energies     occupation 
      1      -8.7036      2.00000
      2      -8.1126      2.00000
      3      -5.8666      2.00000
      4      -5.3617      2.00000
      5      -0.8317      2.00000
      6      -0.3660      2.00000
      7       1.5152      2.00000
      8       1.7234      2.00000
      9       1.9340      2.00000
     10       2.3007      2.00000
     11       3.8051      2.00000
     12       4.3364      2.00000
     13       5.3331      2.00000
     14       5.4019      2.00000
     15       6.7237      2.00000
     16       7.4528      2.00000
     17      17.3723      0.00000
     18      17.5972      0.00000
     19      17.6846      0.00000
     20      18.2214      0.00000
     21      18.9273      0.00000
     22      19.3108      0.00000
     23      19.8106      0.00000
     24      20.8232      0.00000
     25      20.9304      0.00000
     26      21.8032      0.00000
     27      22.5171      0.00000
     28      23.0655      0.00000
     29      23.0894      0.00000
     30      23.6525      0.00000
     31      24.1944      0.00000
     32      24.4771      0.00000
     33      27.5131      0.00000
     34      28.4808      0.00000
     35      30.4475      0.00000
     36      30.8397      0.00000
     37      31.0534      0.00000
     38      31.1304      0.00000
     39      32.3673      0.00000
     40      32.5983      0.00000

 k-point    62 :       0.4000    0.4000    0.0667
  band No.  band energies     occupation 
      1      -8.7839      2.00000
      2      -7.0373      2.00000
      3      -7.0373      2.00000
      4      -5.4380      2.00000
      5      -0.8712      2.00000
      6       0.6061      2.00000
      7       0.6061      2.00000
      8       1.4776      2.00000
      9       2.2752      2.00000
     10       2.8075      2.00000
     11       2.8075      2.00000
     12       4.3325      2.00000
     13       5.7787      2.00000
     14       6.0380      2.00000
     15       6.0380      2.00000
     16       7.8165      2.00000
     17      16.8691      0.00000
     18      18.3333      0.00000
     19      18.4686      0.00000
     20      18.4989      0.00000
     21      18.4989      0.00000
     22      18.9673      0.00000
     23      18.9673      0.00000
     24      20.2166      0.00000
     25      21.5050      0.00000
     26      22.5118      0.00000
     27      22.5118      0.00000
     28      23.2365      0.00000
     29      23.2365      0.00000
     30      23.5388      0.00000
     31      23.7713      0.00000
     32      24.7566      0.00000
     33      27.2883      0.00000
     34      29.9472      0.00000
     35      29.9472      0.00000
     36      30.0862      0.00000
     37      30.8968      0.00000
     38      31.6472      0.00000
     39      31.6472      0.00000
     40      32.3790      0.00000

 k-point    63 :       0.4667    0.4000    0.0667
  band No.  band energies     occupation 
      1      -8.2721      2.00000
      2      -7.6886      2.00000
      3      -6.5581      2.00000
      4      -6.0210      2.00000
      5      -0.4377      2.00000
      6       0.0589      2.00000
      7       1.1125      2.00000
      8       1.6698      2.00000
      9       1.8710      2.00000
     10       2.3198      2.00000
     11       3.2733      2.00000
     12       3.7845      2.00000
     13       6.0186      2.00000
     14       6.0925      2.00000
     15       6.7911      2.00000
     16       7.3979      2.00000
     17      17.3225      0.00000
     18      17.9907      0.00000
     19      18.4150      0.00000
     20      18.4679      0.00000
     21      18.6228      0.00000
     22      18.7479      0.00000
     23      19.7545      0.00000
     24      20.7509      0.00000
     25      20.9603      0.00000
     26      21.9007      0.00000
     27      22.8876      0.00000
     28      23.1568      0.00000
     29      23.3088      0.00000
     30      23.6498      0.00000
     31      23.8601      0.00000
     32      24.4774      0.00000
     33      28.0886      0.00000
     34      29.0333      0.00000
     35      30.3311      0.00000
     36      30.3450      0.00000
     37      30.6900      0.00000
     38      30.9653      0.00000
     39      31.6711      0.00000
     40      31.8781      0.00000

 k-point    64 :       0.4667    0.4667    0.0667
  band No.  band energies     occupation 
      1      -7.7679      2.00000
      2      -7.1946      2.00000
      3      -7.1946      2.00000
      4      -6.6361      2.00000
      5       0.0224      2.00000
      6       0.5419      2.00000
      7       0.5419      2.00000
      8       1.0808      2.00000
      9       2.2906      2.00000
     10       2.7626      2.00000
     11       2.7626      2.00000
     12       3.2545      2.00000
     13       6.4611      2.00000
     14       6.7138      2.00000
     15       6.7138      2.00000
     16       7.1544      2.00000
     17      17.5181      0.00000
     18      17.9433      0.00000
     19      17.9433      0.00000
     20      18.0960      0.00000
     21      19.2874      0.00000
     22      19.6275      0.00000
     23      19.6275      0.00000
     24      20.3548      0.00000
     25      21.3594      0.00000
     26      22.0936      0.00000
     27      22.0936      0.00000
     28      22.5138      0.00000
     29      23.9556      0.00000
     30      23.9663      0.00000
     31      23.9663      0.00000
     32      24.3560      0.00000
     33      28.8737      0.00000
     34      29.6511      0.00000
     35      29.6511      0.00000
     36      30.2151      0.00000
     37      30.4791      0.00000
     38      30.9575      0.00000
     39      30.9575      0.00000
     40      31.2575      0.00000

 k-point    65 :       0.1333    0.1333    0.1333
  band No.  band energies     occupation 
      1     -11.2473      2.00000
      2      -4.7778      2.00000
      3      -4.7778      2.00000
      4      -4.7778      2.00000
      5      -0.7562      2.00000
      6      -0.7562      2.00000
      7      -0.7562      2.00000
      8       2.3484      2.00000
      9       2.3484      2.00000
     10       2.3484      2.00000
     11       3.9207      2.00000
     12       3.9207      2.00000
     13       3.9207      2.00000
     14       7.1436      2.00000
     15       9.1023      2.00000
     16       9.1023      2.00000
     17      14.8771      0.00000
     18      14.8771      0.00000
     19      14.8771      0.00000
     20      16.4044      0.00000
     21      16.4044      0.00000
     22      16.8580      0.00000
     23      17.1215      0.00000
     24      17.1215      0.00000
     25      17.1215      0.00000
     26      23.7335      0.00000
     27      25.4285      0.00000
     28      25.4285      0.00000
     29      25.4285      0.00000
     30      25.7274      0.00000
     31      25.7274      0.00000
     32      25.7274      0.00000
     33      29.9435      0.00000
     34      31.6287      0.00000
     35      31.6287      0.00000
     36      31.6287      0.00000
     37      33.2199      0.00000
     38      33.2199      0.00000
     39      33.3702      0.00000
     40      33.3702      0.00000

 k-point    66 :       0.2000    0.1333    0.1333
  band No.  band energies     occupation 
      1     -11.0422      2.00000
      2      -5.7077      2.00000
      3      -4.6234      2.00000
      4      -4.6234      2.00000
      5      -0.8224      2.00000
      6      -0.8224      2.00000
      7       0.1893      2.00000
      8       1.9087      2.00000
      9       1.9087      2.00000
     10       2.7219      2.00000
     11       3.9691      2.00000
     12       3.9691      2.00000
     13       4.1144      2.00000
     14       6.4235      2.00000
     15       8.5692      2.00000
     16       9.0519      2.00000
     17      14.9010      0.00000
     18      15.2274      0.00000
     19      15.2274      0.00000
     20      16.2978      0.00000
     21      17.0660      0.00000
     22      17.2732      0.00000
     23      17.5524      0.00000
     24      18.0777      0.00000
     25      18.0777      0.00000
     26      23.8284      0.00000
     27      24.8335      0.00000
     28      24.8335      0.00000
     29      24.8344      0.00000
     30      25.0554      0.00000
     31      25.5712      0.00000
     32      25.5712      0.00000
     33      30.1711      0.00000
     34      31.0043      0.00000
     35      31.0043      0.00000
     36      31.7590      0.00000
     37      31.9603      0.00000
     38      33.1127      0.00000
     39      33.4413      0.00000
     40      33.4413      0.00000

 k-point    67 :       0.2667    0.1333    0.1333
  band No.  band energies     occupation 
      1     -10.7560      2.00000
      2      -6.5829      2.00000
      3      -4.4195      2.00000
      4      -4.4195      2.00000
      5      -0.9755      2.00000
      6      -0.9755      2.00000
      7       1.0254      2.00000
      8       1.6030      2.00000
      9       1.6030      2.00000
     10       3.2910      2.00000
     11       3.8713      2.00000
     12       3.8713      2.00000
     13       4.3830      2.00000
     14       5.6919      2.00000
     15       7.9630      2.00000
     16       8.7476      2.00000
     17      14.9569      0.00000
     18      15.8541      0.00000
     19      15.8541      0.00000
     20      16.1329      0.00000
     21      17.8530      0.00000
     22      17.8905      0.00000
     23      18.1306      0.00000
     24      19.1668      0.00000
     25      19.1668      0.00000
     26      23.7398      0.00000
     27      23.9613      0.00000
     28      23.9613      0.00000
     29      24.0968      0.00000
     30      24.2451      0.00000
     31      25.4094      0.00000
     32      25.4094      0.00000
     33      30.3154      0.00000
     34      30.3154      0.00000
     35      30.4601      0.00000
     36      30.8989      0.00000
     37      31.7756      0.00000
     38      32.8150      0.00000
     39      33.3735      0.00000
     40      33.3735      0.00000

 k-point    68 :       0.3333    0.1333    0.1333
  band No.  band energies     occupation 
      1     -10.3891      2.00000
      2      -7.3961      2.00000
      3      -4.1846      2.00000
      4      -4.1846      2.00000
      5      -1.2216      2.00000
      6      -1.2216      2.00000
      7       1.4636      2.00000
      8       1.4636      2.00000
      9       1.7390      2.00000
     10       3.6854      2.00000
     11       3.6854      2.00000
     12       4.0477      2.00000
     13       4.7245      2.00000
     14       4.9727      2.00000
     15       7.3363      2.00000
     16       8.2258      2.00000
     17      15.0501      0.00000
     18      15.9386      0.00000
     19      16.7100      0.00000
     20      16.7100      0.00000
     21      18.6598      0.00000
     22      18.7135      0.00000
     23      18.8455      0.00000
     24      20.2963      0.00000
     25      20.2963      0.00000
     26      22.9556      0.00000
     27      22.9556      0.00000
     28      23.2661      0.00000
     29      23.3192      0.00000
     30      23.3492      0.00000
     31      25.1352      0.00000
     32      25.1352      0.00000
     33      29.6013      0.00000
     34      29.6013      0.00000
     35      30.2709      0.00000
     36      30.8474      0.00000
     37      31.6030      0.00000
     38      32.5307      0.00000
     39      33.2417      0.00000
     40      33.2417      0.00000

 k-point    69 :       0.4000    0.1333    0.1333
  band No.  band energies     occupation 
      1      -9.9426      2.00000
      2      -8.1421      2.00000
      3      -3.9554      2.00000
      4      -3.9554      2.00000
      5      -1.4974      2.00000
      6      -1.4974      2.00000
      7       1.4487      2.00000
      8       1.4487      2.00000
      9       2.3747      2.00000
     10       3.4872      2.00000
     11       3.4872      2.00000
     12       4.2799      2.00000
     13       4.9242      2.00000
     14       5.1351      2.00000
     15       6.7224      2.00000
     16       7.5356      2.00000
     17      15.1800      0.00000
     18      15.7328      0.00000
     19      17.7185      0.00000
     20      17.7185      0.00000
     21      19.5330      0.00000
     22      19.6152      0.00000
     23      19.6840      0.00000
     24      21.0631      0.00000
     25      21.0631      0.00000
     26      22.2447      0.00000
     27      22.2447      0.00000
     28      22.3797      0.00000
     29      22.4037      0.00000
     30      22.5628      0.00000
     31      24.6597      0.00000
     32      24.6597      0.00000
     33      28.9859      0.00000
     34      28.9859      0.00000
     35      30.1781      0.00000
     36      31.2260      0.00000
     37      31.2527      0.00000
     38      32.2609      0.00000
     39      33.1240      0.00000
     40      33.1240      0.00000

 k-point    70 :       0.4667    0.1333    0.1333
  band No.  band energies     occupation 
      1      -9.4181      2.00000
      2      -8.8172      2.00000
      3      -3.8009      2.00000
      4      -3.8009      2.00000
      5      -1.6889      2.00000
      6      -1.6889      2.00000
      7       1.4752      2.00000
      8       1.4752      2.00000
      9       2.9896      2.00000
     10       3.3572      2.00000
     11       3.3572      2.00000
     12       3.6197      2.00000
     13       5.6100      2.00000
     14       5.8380      2.00000
     15       6.1424      2.00000
     16       6.7247      2.00000
     17      15.3425      0.00000
     18      15.5300      0.00000
     19      18.7172      0.00000
     20      18.7172      0.00000
     21      20.4208      0.00000
     22      20.4208      0.00000
     23      20.4680      0.00000
     24      20.5373      0.00000
     25      20.6212      0.00000
     26      21.4371      0.00000
     27      21.4639      0.00000
     28      21.6151      0.00000
     29      22.9565      0.00000
     30      22.9565      0.00000
     31      23.9224      0.00000
     32      23.9224      0.00000
     33      28.6312      0.00000
     34      28.6312      0.00000
     35      30.4191      0.00000
     36      30.8212      0.00000
     37      31.6079      0.00000
     38      31.9589      0.00000
     39      33.0602      0.00000
     40      33.0602      0.00000

 k-point    71 :       0.2000    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.8377      2.00000
      2      -5.5373      2.00000
      3      -5.5373      2.00000
      4      -4.4860      2.00000
      5      -1.0146      2.00000
      6      -0.0424      2.00000
      7      -0.0424      2.00000
      8       1.5641      2.00000
      9       2.4185      2.00000
     10       2.4185      2.00000
     11       4.1703      2.00000
     12       4.1703      2.00000
     13       4.2493      2.00000
     14       5.6863      2.00000
     15       8.2820      2.00000
     16       8.9415      2.00000
     17      15.2976      0.00000
     18      15.2976      0.00000
     19      15.2977      0.00000
     20      16.6600      0.00000
     21      17.2234      0.00000
     22      17.5181      0.00000
     23      18.4452      0.00000
     24      18.4452      0.00000
     25      19.1180      0.00000
     26      23.9840      0.00000
     27      24.1674      0.00000
     28      24.1674      0.00000
     29      24.5525      0.00000
     30      24.9695      0.00000
     31      24.9695      0.00000
     32      25.1862      0.00000
     33      30.3225      0.00000
     34      30.3346      0.00000
     35      31.2569      0.00000
     36      31.2569      0.00000
     37      31.8680      0.00000
     38      33.0992      0.00000
     39      33.1736      0.00000
     40      33.1736      0.00000

 k-point    72 :       0.2667    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.5522      2.00000
      2      -6.4019      2.00000
      3      -5.3055      2.00000
      4      -4.3165      2.00000
      5      -1.3137      2.00000
      6      -0.3988      2.00000
      7       0.6075      2.00000
      8       1.4195      2.00000
      9       2.2472      2.00000
     10       3.1363      2.00000
     11       4.1053      2.00000
     12       4.3587      2.00000
     13       4.4573      2.00000
     14       4.9466      2.00000
     15       7.7476      2.00000
     16       8.7421      2.00000
     17      15.3988      0.00000
     18      15.6704      0.00000
     19      15.9468      0.00000
     20      16.6370      0.00000
     21      17.8383      0.00000
     22      17.9515      0.00000
     23      18.9537      0.00000
     24      19.4782      0.00000
     25      20.2542      0.00000
     26      23.2456      0.00000
     27      23.3953      0.00000
     28      23.8427      0.00000
     29      23.9836      0.00000
     30      24.2065      0.00000
     31      24.9356      0.00000
     32      24.9700      0.00000
     33      29.6308      0.00000
     34      30.5513      0.00000
     35      30.5832      0.00000
     36      31.1000      0.00000
     37      31.4538      0.00000
     38      32.8195      0.00000
     39      33.1839      0.00000
     40      33.4563      0.00000

 k-point    73 :       0.3333    0.2000    0.1333
  band No.  band energies     occupation 
      1     -10.1864      2.00000
      2      -7.2080      2.00000
      3      -5.0224      2.00000
      4      -4.1537      2.00000
      5      -1.6454      2.00000
      6      -0.8344      2.00000
      7       1.1753      2.00000
      8       1.4499      2.00000
      9       2.1663      2.00000
     10       3.9683      2.00000
     11       3.9878      2.00000
     12       4.2264      2.00000
     13       4.3205      2.00000
     14       4.8477      2.00000
     15       7.1571      2.00000
     16       8.3269      2.00000
     17      15.5309      0.00000
     18      16.3222      0.00000
     19      16.4755      0.00000
     20      16.8087      0.00000
     21      18.5424      0.00000
     22      18.6505      0.00000
     23      19.5967      0.00000
     24      20.4988      0.00000
     25      21.3861      0.00000
     26      22.2849      0.00000
     27      22.5688      0.00000
     28      22.8967      0.00000
     29      23.3392      0.00000
     30      23.6711      0.00000
     31      24.7883      0.00000
     32      24.8696      0.00000
     33      28.9247      0.00000
     34      29.7531      0.00000
     35      30.5061      0.00000
     36      30.8616      0.00000
     37      31.5193      0.00000
     38      32.4180      0.00000
     39      33.1796      0.00000
     40      33.7555      0.00000

 k-point    74 :       0.4000    0.2000    0.1333
  band No.  band energies     occupation 
      1      -9.7415      2.00000
      2      -7.9491      2.00000
      3      -4.7063      2.00000
      4      -4.0717      2.00000
      5      -1.8776      2.00000
      6      -1.2785      2.00000
      7       1.5924      2.00000
      8       1.7230      2.00000
      9       2.0939      2.00000
     10       3.5394      2.00000
     11       3.9045      2.00000
     12       4.1889      2.00000
     13       4.7608      2.00000
     14       5.4029      2.00000
     15       6.5607      2.00000
     16       7.7212      2.00000
     17      15.6913      0.00000
     18      16.2794      0.00000
     19      17.1881      0.00000
     20      17.8035      0.00000
     21      19.2504      0.00000
     22      19.5425      0.00000
     23      20.3587      0.00000
     24      20.6293      0.00000
     25      21.5361      0.00000
     26      21.7224      0.00000
     27      22.1843      0.00000
     28      22.4124      0.00000
     29      22.7643      0.00000
     30      23.0201      0.00000
     31      24.4915      0.00000
     32      24.7167      0.00000
     33      28.2964      0.00000
     34      28.8812      0.00000
     35      30.4205      0.00000
     36      31.1514      0.00000
     37      31.3836      0.00000
     38      32.0421      0.00000
     39      33.1941      0.00000
     40      33.5431      0.00000

 k-point    75 :       0.4667    0.2000    0.1333
  band No.  band energies     occupation 
      1      -9.2188      2.00000
      2      -8.6205      2.00000
      3      -4.3938      2.00000
      4      -4.1538      2.00000
      5      -1.8857      2.00000
      6      -1.6576      2.00000
      7       1.7843      2.00000
      8       1.9669      2.00000
      9       2.2897      2.00000
     10       2.8933      2.00000
     11       3.9195      2.00000
     12       4.0321      2.00000
     13       5.4011      2.00000
     14       5.9777      2.00000
     15       6.1618      2.00000
     16       6.9765      2.00000
     17      15.8750      0.00000
     18      16.0744      0.00000
     19      18.1537      0.00000
     20      18.6429      0.00000
     21      19.9122      0.00000
     22      20.0333      0.00000
     23      20.4776      0.00000
     24      20.4795      0.00000
     25      20.8425      0.00000
     26      21.2076      0.00000
     27      21.5025      0.00000
     28      22.1656      0.00000
     29      23.0922      0.00000
     30      23.6389      0.00000
     31      23.9839      0.00000
     32      24.3703      0.00000
     33      27.9816      0.00000
     34      28.1985      0.00000
     35      30.6613      0.00000
     36      31.0452      0.00000
     37      31.4532      0.00000
     38      31.7402      0.00000
     39      33.2489      0.00000
     40      33.3620      0.00000

 k-point    76 :       0.2667    0.2667    0.1333
  band No.  band energies     occupation 
      1     -10.2678      2.00000
      2      -6.1530      2.00000
      3      -6.1530      2.00000
      4      -4.2212      2.00000
      5      -1.7005      2.00000
      6       0.0909      2.00000
      7       0.0909      2.00000
      8       1.4289      2.00000
      9       3.0244      2.00000
     10       3.0244      2.00000
     11       4.2042      2.00000
     12       4.4614      2.00000
     13       4.4614      2.00000
     14       4.6934      2.00000
     15       7.2761      2.00000
     16       8.6724      2.00000
     17      15.7777      0.00000
     18      16.0721      0.00000
     19      16.0721      0.00000
     20      17.0441      0.00000
     21      18.0233      0.00000
     22      18.1398      0.00000
     23      19.9088      0.00000
     24      19.9088      0.00000
     25      21.4061      0.00000
     26      22.4878      0.00000
     27      22.4878      0.00000
     28      23.4897      0.00000
     29      24.1221      0.00000
     30      24.2324      0.00000
     31      24.2324      0.00000
     32      24.5138      0.00000
     33      28.9905      0.00000
     34      30.6877      0.00000
     35      30.8685      0.00000
     36      30.8685      0.00000
     37      30.9709      0.00000
     38      32.8745      0.00000
     39      32.8745      0.00000
     40      33.1141      0.00000

 k-point    77 :       0.3333    0.2667    0.1333
  band No.  band energies     occupation 
      1      -9.9036      2.00000
      2      -6.9477      2.00000
      3      -5.8419      2.00000
      4      -4.2098      2.00000
      5      -1.9891      2.00000
      6      -0.4601      2.00000
      7       0.5606      2.00000
      8       1.5755      2.00000
      9       2.8840      2.00000
     10       3.4862      2.00000
     11       3.7884      2.00000
     12       4.4673      2.00000
     13       4.8561      2.00000
     14       4.9841      2.00000
     15       6.7245      2.00000
     16       8.3964      2.00000
     17      16.1866      0.00000
     18      16.2256      0.00000
     19      16.9398      0.00000
     20      17.0933      0.00000
     21      18.4623      0.00000
     22      18.6527      0.00000
     23      20.4311      0.00000
     24      20.6455      0.00000
     25      21.7512      0.00000
     26      21.7749      0.00000
     27      22.4702      0.00000
     28      22.7856      0.00000
     29      23.3844      0.00000
     30      23.9934      0.00000
     31      24.2729      0.00000
     32      24.2733      0.00000
     33      28.3669      0.00000
     34      30.0501      0.00000
     35      30.6269      0.00000
     36      30.8708      0.00000
     37      31.0909      0.00000
     38      32.4624      0.00000
     39      32.9576      0.00000
     40      33.5178      0.00000

 k-point    78 :       0.4000    0.2667    0.1333
  band No.  band energies     occupation 
      1      -9.4608      2.00000
      2      -7.6810      2.00000
      3      -5.4787      2.00000
      4      -4.3686      2.00000
      5      -2.0432      2.00000
      6      -0.9951      2.00000
      7       1.0527      2.00000
      8       1.8100      2.00000
      9       2.6710      2.00000
     10       2.8057      2.00000
     11       4.4445      2.00000
     12       4.5301      2.00000
     13       4.8682      2.00000
     14       5.6884      2.00000
     15       6.1524      2.00000
     16       7.9089      2.00000
     17      16.4012      0.00000
     18      16.8595      0.00000
     19      16.9643      0.00000
     20      17.9141      0.00000
     21      18.9273      0.00000
     22      19.5055      0.00000
     23      20.0696      0.00000
     24      20.6981      0.00000
     25      21.3815      0.00000
     26      21.6375      0.00000
     27      22.3586      0.00000
     28      22.4718      0.00000
     29      23.5026      0.00000
     30      23.5305      0.00000
     31      24.2025      0.00000
     32      24.3336      0.00000
     33      27.8100      0.00000
     34      29.0922      0.00000
     35      30.5717      0.00000
     36      31.0653      0.00000
     37      31.1915      0.00000
     38      31.9878      0.00000
     39      33.0598      0.00000
     40      33.7737      0.00000

 k-point    79 :       0.4667    0.2667    0.1333
  band No.  band energies     occupation 
      1      -8.9412      2.00000
      2      -8.3468      2.00000
      3      -5.0821      2.00000
      4      -4.6888      2.00000
      5      -1.8452      2.00000
      6      -1.4725      2.00000
      7       1.5871      2.00000
      8       2.0949      2.00000
      9       2.1713      2.00000
     10       2.3951      2.00000
     11       4.6479      2.00000
     12       4.7793      2.00000
     13       5.0230      2.00000
     14       5.5841      2.00000
     15       6.4832      2.00000
     16       7.2508      2.00000
     17      16.5911      0.00000
     18      16.7844      0.00000
     19      17.7127      0.00000
     20      18.4612      0.00000
     21      19.4962      0.00000
     22      19.6058      0.00000
     23      20.1321      0.00000
     24      20.4429      0.00000
     25      20.5138      0.00000
     26      21.3680      0.00000
     27      22.1221      0.00000
     28      22.8374      0.00000
     29      23.1936      0.00000
     30      23.6717      0.00000
     31      24.3933      0.00000
     32      24.4163      0.00000
     33      27.6403      0.00000
     34      28.1709      0.00000
     35      30.8177      0.00000
     36      31.1129      0.00000
     37      31.2685      0.00000
     38      31.5439      0.00000
     39      33.1989      0.00000
     40      33.4197      0.00000

 k-point    80 :       0.3333    0.3333    0.1333
  band No.  band energies     occupation 
      1      -9.5417      2.00000
      2      -6.6190      2.00000
      3      -6.6190      2.00000
      4      -4.4406      2.00000
      5      -2.1003      2.00000
      6      -0.0560      2.00000
      7      -0.0560      2.00000
      8       1.7986      2.00000
      9       2.7730      2.00000
     10       3.5125      2.00000
     11       3.5125      2.00000
     12       5.1370      2.00000
     13       5.1370      2.00000
     14       5.2354      2.00000
     15       6.2055      2.00000
     16       8.2778      2.00000
     17      16.3387      0.00000
     18      17.0962      0.00000
     19      17.0962      0.00000
     20      17.5755      0.00000
     21      18.4849      0.00000
     22      18.8884      0.00000
     23      20.4018      0.00000
     24      20.4018      0.00000
     25      21.7755      0.00000
     26      21.7755      0.00000
     27      22.3405      0.00000
     28      23.4230      0.00000
     29      23.4780      0.00000
     30      23.4780      0.00000
     31      23.9301      0.00000
     32      24.1327      0.00000
     33      27.9298      0.00000
     34      30.3839      0.00000
     35      30.3839      0.00000
     36      30.5392      0.00000
     37      30.9191      0.00000
     38      32.5760      0.00000
     39      32.5760      0.00000
     40      33.4826      0.00000

 k-point    81 :       0.4000    0.3333    0.1333
  band No.  band energies     occupation 
      1      -9.1020      2.00000
      2      -7.3404      2.00000
      3      -6.2278      2.00000
      4      -4.8370      2.00000
      5      -1.9538      2.00000
      6      -0.6426      2.00000
      7       0.3975      2.00000
      8       2.0914      2.00000
      9       2.0998      2.00000
     10       3.1712      2.00000
     11       4.0622      2.00000
     12       5.2931      2.00000
     13       5.4398      2.00000
     14       5.6608      2.00000
     15       5.9198      2.00000
     16       7.9388      2.00000
     17      16.7761      0.00000
     18      17.2686      0.00000
     19      17.6942      0.00000
     20      18.0406      0.00000
     21      18.6535      0.00000
     22      19.5365      0.00000
     23      19.5384      0.00000
     24      19.8932      0.00000
     25      21.5497      0.00000
     26      22.0069      0.00000
     27      22.5518      0.00000
     28      22.7514      0.00000
     29      23.3312      0.00000
     30      23.7244      0.00000
     31      23.9679      0.00000
     32      24.5673      0.00000
     33      27.6500      0.00000
     34      29.5081      0.00000
     35      30.5497      0.00000
     36      30.6591      0.00000
     37      30.9853      0.00000
     38      32.0687      0.00000
     39      32.6920      0.00000
     40      33.5561      0.00000

 k-point    82 :       0.4667    0.3333    0.1333
  band No.  band energies     occupation 
      1      -8.5866      2.00000
      2      -7.9981      2.00000
      3      -5.7846      2.00000
      4      -5.3086      2.00000
      5      -1.6236      2.00000
      6      -1.1738      2.00000
      7       0.9079      2.00000
      8       1.4763      2.00000
      9       2.4325      2.00000
     10       2.8009      2.00000
     11       4.5871      2.00000
     12       5.1179      2.00000
     13       5.4238      2.00000
     14       5.4883      2.00000
     15       6.7033      2.00000
     16       7.3983      2.00000
     17      17.4442      0.00000
     18      17.4496      0.00000
     19      17.6022      0.00000
     20      18.2155      0.00000
     21      18.9622      0.00000
     22      19.3869      0.00000
     23      19.4938      0.00000
     24      20.4272      0.00000
     25      20.5142      0.00000
     26      21.3691      0.00000
     27      22.9818      0.00000
     28      22.9992      0.00000
     29      23.1831      0.00000
     30      23.5289      0.00000
     31      24.2793      0.00000
     32      24.7627      0.00000
     33      27.8379      0.00000
     34      28.5820      0.00000
     35      30.7759      0.00000
     36      30.8184      0.00000
     37      31.0939      0.00000
     38      31.5096      0.00000
     39      32.8303      0.00000
     40      33.0778      0.00000

 k-point    83 :       0.4000    0.4000    0.1333
  band No.  band energies     occupation 
      1      -8.6666      2.00000
      2      -6.9313      2.00000
      3      -6.9313      2.00000
      4      -5.3841      2.00000
      5      -1.6780      2.00000
      6      -0.2206      2.00000
      7      -0.2206      2.00000
      8       1.4356      2.00000
      9       2.4275      2.00000
     10       3.6448      2.00000
     11       3.6448      2.00000
     12       5.1429      2.00000
     13       5.8503      2.00000
     14       6.0808      2.00000
     15       6.0808      2.00000
     16       7.7632      2.00000
     17      16.9615      0.00000
     18      18.1693      0.00000
     19      18.1693      0.00000
     20      18.2652      0.00000
     21      18.4828      0.00000
     22      19.0963      0.00000
     23      19.0963      0.00000
     24      19.8138      0.00000
     25      21.1880      0.00000
     26      22.2368      0.00000
     27      22.2368      0.00000
     28      22.7681      0.00000
     29      23.5239      0.00000
     30      23.5239      0.00000
     31      24.1840      0.00000
     32      25.0078      0.00000
     33      27.8616      0.00000
     34      29.9635      0.00000
     35      29.9635      0.00000
     36      30.5570      0.00000
     37      30.8776      0.00000
     38      32.1222      0.00000
     39      32.1222      0.00000
     40      32.9139      0.00000

 k-point    84 :       0.4667    0.4000    0.1333
  band No.  band energies     occupation 
      1      -8.1572      2.00000
      2      -7.5770      2.00000
      3      -6.4603      2.00000
      4      -5.9380      2.00000
      5      -1.2768      2.00000
      6      -0.7841      2.00000
      7       0.2692      2.00000
      8       0.8229      2.00000
      9       2.8078      2.00000
     10       3.2194      2.00000
     11       4.1260      2.00000
     12       4.6264      2.00000
     13       6.0805      2.00000
     14       6.1461      2.00000
     15       6.7982      2.00000
     16       7.3753      2.00000
     17      17.4043      0.00000
     18      18.0329      0.00000
     19      18.2792      0.00000
     20      18.3535      0.00000
     21      18.5820      0.00000
     22      18.7828      0.00000
     23      19.4619      0.00000
     24      20.4262      0.00000
     25      20.4909      0.00000
     26      21.3851      0.00000
     27      22.3242      0.00000
     28      22.4528      0.00000
     29      23.8140      0.00000
     30      24.1045      0.00000
     31      24.3539      0.00000
     32      24.9226      0.00000
     33      28.4306      0.00000
     34      29.1882      0.00000
     35      30.3569      0.00000
     36      30.6321      0.00000
     37      30.9085      0.00000
     38      31.4609      0.00000
     39      32.1853      0.00000
     40      32.4089      0.00000

 k-point    85 :       0.4667    0.4667    0.1333
  band No.  band energies     occupation 
      1      -7.6561      2.00000
      2      -7.0880      2.00000
      3      -7.0880      2.00000
      4      -6.5379      2.00000
      5      -0.8352      2.00000
      6      -0.3158      2.00000
      7      -0.3158      2.00000
      8       0.2226      2.00000
      9       3.2208      2.00000
     10       3.6645      2.00000
     11       3.6645      2.00000
     12       4.1364      2.00000
     13       6.5047      2.00000
     14       6.7406      2.00000
     15       6.7406      2.00000
     16       7.1576      2.00000
     17      17.5947      0.00000
     18      17.9992      0.00000
     19      17.9992      0.00000
     20      18.1459      0.00000
     21      19.1111      0.00000
     22      19.3926      0.00000
     23      19.3926      0.00000
     24      20.0960      0.00000
     25      20.7967      0.00000
     26      21.4794      0.00000
     27      21.4794      0.00000
     28      21.8003      0.00000
     29      24.4306      0.00000
     30      24.4755      0.00000
     31      24.4755      0.00000
     32      24.8493      0.00000
     33      29.1412      0.00000
     34      29.8017      0.00000
     35      29.8017      0.00000
     36      30.3197      0.00000
     37      30.9890      0.00000
     38      31.4816      0.00000
     39      31.4816      0.00000
     40      31.7901      0.00000

 k-point    86 :       0.2000    0.2000    0.2000
  band No.  band energies     occupation 
      1     -10.6338      2.00000
      2      -5.3755      2.00000
      3      -5.3755      2.00000
      4      -5.3755      2.00000
      5      -0.4436      2.00000
      6      -0.4436      2.00000
      7      -0.4436      2.00000
      8       2.2663      2.00000
      9       2.2663      2.00000
     10       2.2663      2.00000
     11       4.4340      2.00000
     12       4.4340      2.00000
     13       4.4340      2.00000
     14       4.9265      2.00000
     15       8.5003      2.00000
     16       8.5003      2.00000
     17      15.4114      0.00000
     18      15.4114      0.00000
     19      15.4114      0.00000
     20      17.1727      0.00000
     21      17.1727      0.00000
     22      17.6299      0.00000
     23      19.4289      0.00000
     24      19.4289      0.00000
     25      19.4289      0.00000
     26      23.9744      0.00000
     27      23.9744      0.00000
     28      23.9744      0.00000
     29      24.1932      0.00000
     30      24.4471      0.00000
     31      24.4471      0.00000
     32      24.4471      0.00000
     33      30.4341      0.00000
     34      30.7131      0.00000
     35      30.7131      0.00000
     36      30.7131      0.00000
     37      32.3864      0.00000
     38      32.3864      0.00000
     39      33.4685      0.00000
     40      33.4685      0.00000

 k-point    87 :       0.2667    0.2000    0.2000
  band No.  band energies     occupation 
      1     -10.3491      2.00000
      2      -6.2260      2.00000
      3      -5.1608      2.00000
      4      -5.1608      2.00000
      5      -0.9429      2.00000
      6      -0.9429      2.00000
      7       0.0405      2.00000
      8       2.2605      2.00000
      9       2.2605      2.00000
     10       3.1532      2.00000
     11       4.1725      2.00000
     12       4.5476      2.00000
     13       4.5476      2.00000
     14       4.6897      2.00000
     15       7.9798      2.00000
     16       8.4595      2.00000
     17      15.5636      0.00000
     18      15.8030      0.00000
     19      15.8030      0.00000
     20      17.0387      0.00000
     21      17.8009      0.00000
     22      17.9549      0.00000
     23      19.8678      0.00000
     24      20.5166      0.00000
     25      20.5166      0.00000
     26      23.2013      0.00000
     27      23.2013      0.00000
     28      23.2703      0.00000
     29      23.6019      0.00000
     30      24.2683      0.00000
     31      24.3107      0.00000
     32      24.3107      0.00000
     33      30.0904      0.00000
     34      30.0904      0.00000
     35      30.5842      0.00000
     36      31.0481      0.00000
     37      31.4961      0.00000
     38      33.0820      0.00000
     39      33.0907      0.00000
     40      33.6269      0.00000

 k-point    88 :       0.3333    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.9844      2.00000
      2      -7.0230      2.00000
      3      -4.9111      2.00000
      4      -4.9111      2.00000
      5      -1.4555      2.00000
      6      -1.4555      2.00000
      7       0.5067      2.00000
      8       2.3429      2.00000
      9       2.3429      2.00000
     10       3.4458      2.00000
     11       4.1242      2.00000
     12       4.5349      2.00000
     13       4.5349      2.00000
     14       5.0135      2.00000
     15       7.4261      2.00000
     16       8.1545      2.00000
     17      15.7478      0.00000
     18      16.4576      0.00000
     19      16.4576      0.00000
     20      16.8542      0.00000
     21      18.4824      0.00000
     22      18.5056      0.00000
     23      20.4345      0.00000
     24      21.4930      0.00000
     25      21.4930      0.00000
     26      22.3183      0.00000
     27      22.3183      0.00000
     28      22.4936      0.00000
     29      22.7020      0.00000
     30      24.0510      0.00000
     31      24.2944      0.00000
     32      24.2944      0.00000
     33      29.3487      0.00000
     34      29.3487      0.00000
     35      30.7541      0.00000
     36      30.9522      0.00000
     37      31.2644      0.00000
     38      32.6271      0.00000
     39      33.6600      0.00000
     40      33.6600      0.00000

 k-point    89 :       0.4000    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.5411      2.00000
      2      -7.7580      2.00000
      3      -4.6646      2.00000
      4      -4.6646      2.00000
      5      -1.8975      2.00000
      6      -1.8975      2.00000
      7       0.9979      2.00000
      8       2.4524      2.00000
      9       2.4524      2.00000
     10       2.7590      2.00000
     11       4.4564      2.00000
     12       4.4564      2.00000
     13       5.1062      2.00000
     14       5.4007      2.00000
     15       6.8716      2.00000
     16       7.6179      2.00000
     17      15.9565      0.00000
     18      16.6410      0.00000
     19      17.3097      0.00000
     20      17.3097      0.00000
     21      19.1742      0.00000
     22      19.2612      0.00000
     23      20.8995      0.00000
     24      20.8995      0.00000
     25      21.1204      0.00000
     26      21.6824      0.00000
     27      21.7812      0.00000
     28      22.8555      0.00000
     29      22.8555      0.00000
     30      23.4995      0.00000
     31      24.2917      0.00000
     32      24.2917      0.00000
     33      28.5445      0.00000
     34      28.5445      0.00000
     35      30.7656      0.00000
     36      31.0608      0.00000
     37      31.3286      0.00000
     38      32.1375      0.00000
     39      33.6269      0.00000
     40      33.6269      0.00000

 k-point    90 :       0.4667    0.2000    0.2000
  band No.  band energies     occupation 
      1      -9.0207      2.00000
      2      -8.4253      2.00000
      3      -4.4957      2.00000
      4      -4.4957      2.00000
      5      -2.1692      2.00000
      6      -2.1692      2.00000
      7       1.5333      2.00000
      8       2.1202      2.00000
      9       2.5300      2.00000
     10       2.5300      2.00000
     11       4.3882      2.00000
     12       4.3882      2.00000
     13       5.8454      2.00000
     14       6.0460      2.00000
     15       6.3394      2.00000
     16       6.8985      2.00000
     17      16.1812      0.00000
     18      16.4128      0.00000
     19      18.1946      0.00000
     20      18.1946      0.00000
     21      19.9105      0.00000
     22      19.9105      0.00000
     23      19.9827      0.00000
     24      20.0510      0.00000
     25      20.8625      0.00000
     26      20.8627      0.00000
     27      21.9066      0.00000
     28      22.7329      0.00000
     29      23.5661      0.00000
     30      23.5661      0.00000
     31      24.2883      0.00000
     32      24.2883      0.00000
     33      27.9291      0.00000
     34      27.9291      0.00000
     35      30.9703      0.00000
     36      31.2241      0.00000
     37      31.3262      0.00000
     38      31.6757      0.00000
     39      33.5942      0.00000
     40      33.5942      0.00000

 k-point    91 :       0.2667    0.2667    0.2000
  band No.  band energies     occupation 
      1     -10.0656      2.00000
      2      -5.9862      2.00000
      3      -5.9862      2.00000
      4      -4.9803      2.00000
      5      -1.5185      2.00000
      6      -0.5778      2.00000
      7      -0.5778      2.00000
      8       2.3765      2.00000
      9       3.2105      2.00000
     10       3.2105      2.00000
     11       3.4110      2.00000
     12       4.8154      2.00000
     13       4.8154      2.00000
     14       4.8639      2.00000
     15       7.7220      2.00000
     16       8.3471      2.00000
     17      15.9283      0.00000
     18      15.9792      0.00000
     19      15.9792      0.00000
     20      17.3671      0.00000
     21      17.9059      0.00000
     22      18.1036      0.00000
     23      20.8836      0.00000
     24      20.8836      0.00000
     25      21.6308      0.00000
     26      22.4758      0.00000
     27      22.4758      0.00000
     28      22.9369      0.00000
     29      23.5254      0.00000
     30      23.5254      0.00000
     31      23.7051      0.00000
     32      24.4582      0.00000
     33      29.5863      0.00000
     34      30.5204      0.00000
     35      30.5204      0.00000
     36      30.6630      0.00000
     37      31.5661      0.00000
     38      32.9142      0.00000
     39      33.2779      0.00000
     40      33.2779      0.00000

 k-point    92 :       0.3333    0.2667    0.2000
  band No.  band energies     occupation 
      1      -9.7026      2.00000
      2      -6.7681      2.00000
      3      -5.6920      2.00000
      4      -4.8028      2.00000
      5      -2.0279      2.00000
      6      -1.1847      2.00000
      7      -0.1775      2.00000
      8       2.5578      2.00000
      9       2.6814      2.00000
     10       3.2615      2.00000
     11       4.1678      2.00000
     12       4.8571      2.00000
     13       5.0261      2.00000
     14       5.1757      2.00000
     15       7.2452      2.00000
     16       8.1460      2.00000
     17      16.1898      0.00000
     18      16.3402      0.00000
     19      16.6373      0.00000
     20      17.3202      0.00000
     21      18.4017      0.00000
     22      18.4653      0.00000
     23      21.2400      0.00000
     24      21.3010      0.00000
     25      21.7717      0.00000
     26      22.0736      0.00000
     27      22.1437      0.00000
     28      22.6745      0.00000
     29      22.7354      0.00000
     30      23.5733      0.00000
     31      23.6036      0.00000
     32      24.3969      0.00000
     33      29.0127      0.00000
     34      29.8284      0.00000
     35      30.7958      0.00000
     36      30.8505      0.00000
     37      31.1973      0.00000
     38      32.8430      0.00000
     39      33.4151      0.00000
     40      33.5259      0.00000

 k-point    93 :       0.4000    0.2667    0.2000
  band No.  band energies     occupation 
      1      -9.2617      2.00000
      2      -7.4933      2.00000
      3      -5.3617      2.00000
      4      -4.7054      2.00000
      5      -2.3620      2.00000
      6      -1.7328      2.00000
      7       0.2760      2.00000
      8       1.9962      2.00000
      9       2.7725      2.00000
     10       3.2561      2.00000
     11       4.8763      2.00000
     12       5.0190      2.00000
     13       5.0541      2.00000
     14       5.6802      2.00000
     15       6.7270      2.00000
     16       7.7234      2.00000
     17      16.4237      0.00000
     18      17.0019      0.00000
     19      17.1361      0.00000
     20      17.4703      0.00000
     21      18.8990      0.00000
     22      19.1714      0.00000
     23      20.2613      0.00000
     24      20.8949      0.00000
     25      21.0164      0.00000
     26      21.6803      0.00000
     27      22.1094      0.00000
     28      22.8971      0.00000
     29      23.2512      0.00000
     30      23.8830      0.00000
     31      24.0154      0.00000
     32      24.0409      0.00000
     33      28.3880      0.00000
     34      29.0101      0.00000
     35      30.9721      0.00000
     36      31.0439      0.00000
     37      31.0753      0.00000
     38      32.3488      0.00000
     39      33.5211      0.00000
     40      33.9688      0.00000

 k-point    94 :       0.4667    0.2667    0.2000
  band No.  band energies     occupation 
      1      -8.7446      2.00000
      2      -8.1539      2.00000
      3      -5.0335      2.00000
      4      -4.7831      2.00000
      5      -2.4103      2.00000
      6      -2.1688      2.00000
      7       0.7895      2.00000
      8       1.3637      2.00000
      9       2.9874      2.00000
     10       3.1616      2.00000
     11       4.9245      2.00000
     12       4.9998      2.00000
     13       5.6630      2.00000
     14       6.2023      2.00000
     15       6.3769      2.00000
     16       7.1085      2.00000
     17      16.6686      0.00000
     18      16.9110      0.00000
     19      17.8092      0.00000
     20      18.2094      0.00000
     21      19.4606      0.00000
     22      19.4990      0.00000
     23      19.9536      0.00000
     24      19.9810      0.00000
     25      20.1771      0.00000
     26      20.8435      0.00000
     27      22.7102      0.00000
     28      23.2094      0.00000
     29      23.2832      0.00000
     30      23.4018      0.00000
     31      24.4536      0.00000
     32      24.6173      0.00000
     33      27.9832      0.00000
     34      28.2518      0.00000
     35      31.0543      0.00000
     36      31.0990      0.00000
     37      31.3720      0.00000
     38      31.8357      0.00000
     39      33.6319      0.00000
     40      33.7811      0.00000

 k-point    95 :       0.3333    0.3333    0.2000
  band No.  band energies     occupation 
      1      -9.3422      2.00000
      2      -6.4487      2.00000
      3      -6.4487      2.00000
      4      -4.7758      2.00000
      5      -2.4290      2.00000
      6      -0.8362      2.00000
      7      -0.8362      2.00000
      8       1.9520      2.00000
      9       2.8101      2.00000
     10       4.0978      2.00000
     11       4.0978      2.00000
     12       5.3247      2.00000
     13       5.3247      2.00000
     14       5.3840      2.00000
     15       6.8321      2.00000
     16       8.0753      2.00000
     17      16.4976      0.00000
     18      16.8513      0.00000
     19      16.8513      0.00000
     20      17.6932      0.00000
     21      18.4324      0.00000
     22      18.6169      0.00000
     23      20.6371      0.00000
     24      20.6371      0.00000
     25      21.8277      0.00000
     26      22.2717      0.00000
     27      22.2717      0.00000
     28      22.8261      0.00000
     29      22.9442      0.00000
     30      22.9442      0.00000
     31      23.8070      0.00000
     32      24.5630      0.00000
     33      28.7031      0.00000
     34      30.2673      0.00000
     35      30.2673      0.00000
     36      30.8475      0.00000
     37      31.2108      0.00000
     38      33.0382      0.00000
     39      33.0382      0.00000
     40      33.5575      0.00000

 k-point    96 :       0.4000    0.3333    0.2000
  band No.  band energies     occupation 
      1      -8.9047      2.00000
      2      -7.1583      2.00000
      3      -6.0744      2.00000
      4      -4.9278      2.00000
      5      -2.5399      2.00000
      6      -1.4402      2.00000
      7      -0.4130      2.00000
      8       1.2701      2.00000
      9       3.0917      2.00000
     10       3.9240      2.00000
     11       4.7774      2.00000
     12       5.4644      2.00000
     13       5.5814      2.00000
     14       5.9568      2.00000
     15       6.3527      2.00000
     16       7.7950      2.00000
     17      16.9274      0.00000
     18      17.0862      0.00000
     19      17.6596      0.00000
     20      17.7133      0.00000
     21      18.6456      0.00000
     22      19.1562      0.00000
     23      19.6828      0.00000
     24      20.0182      0.00000
     25      21.0151      0.00000
     26      21.6896      0.00000
     27      22.4845      0.00000
     28      22.6041      0.00000
     29      23.0811      0.00000
     30      23.7876      0.00000
     31      24.4439      0.00000
     32      24.6446      0.00000
     33      28.4191      0.00000
     34      29.5535      0.00000
     35      30.6015      0.00000
     36      30.9129      0.00000
     37      31.2244      0.00000
     38      32.5600      0.00000
     39      33.2128      0.00000
     40      34.0602      0.00000

 k-point    97 :       0.4667    0.3333    0.2000
  band No.  band energies     occupation 
      1      -8.3924      2.00000
      2      -7.8088      2.00000
      3      -5.6641      2.00000
      4      -5.2563      2.00000
      5      -2.3526      2.00000
      6      -1.9603      2.00000
      7       0.0819      2.00000
      8       0.6446      2.00000
      9       3.3877      2.00000
     10       3.6754      2.00000
     11       5.3370      2.00000
     12       5.5790      2.00000
     13       5.6331      2.00000
     14       5.8522      2.00000
     15       6.6619      2.00000
     16       7.3058      2.00000
     17      17.3253      0.00000
     18      17.5475      0.00000
     19      17.5722      0.00000
     20      18.1610      0.00000
     21      18.9939      0.00000
     22      19.2055      0.00000
     23      19.4595      0.00000
     24      19.9404      0.00000
     25      20.0001      0.00000
     26      20.8128      0.00000
     27      22.5275      0.00000
     28      22.5515      0.00000
     29      23.5661      0.00000
     30      24.0677      0.00000
     31      24.6269      0.00000
     32      25.0050      0.00000
     33      28.3828      0.00000
     34      28.8349      0.00000
     35      30.8069      0.00000
     36      30.9004      0.00000
     37      31.5333      0.00000
     38      32.0279      0.00000
     39      33.4000      0.00000
     40      33.6748      0.00000

 k-point    98 :       0.4000    0.4000    0.2000
  band No.  band energies     occupation 
      1      -8.4721      2.00000
      2      -6.7588      2.00000
      3      -6.7588      2.00000
      4      -5.3307      2.00000
      5      -2.4164      2.00000
      6      -1.0489      2.00000
      7      -1.0489      2.00000
      8       0.5937      2.00000
      9       3.4262      2.00000
     10       4.4719      2.00000
     11       4.4719      2.00000
     12       5.9090      2.00000
     13       5.9661      2.00000
     14       6.1482      2.00000
     15       6.1482      2.00000
     16       7.6731      2.00000
     17      17.1098      0.00000
     18      17.8633      0.00000
     19      17.8633      0.00000
     20      18.1898      0.00000
     21      18.4950      0.00000
     22      19.1998      0.00000
     23      19.1998      0.00000
     24      19.3480      0.00000
     25      20.7363      0.00000
     26      21.6787      0.00000
     27      21.6787      0.00000
     28      21.9525      0.00000
     29      24.0350      0.00000
     30      24.0350      0.00000
     31      24.6568      0.00000
     32      25.1495      0.00000
     33      28.6138      0.00000
     34      30.0601      0.00000
     35      30.0601      0.00000
     36      30.8819      0.00000
     37      31.2947      0.00000
     38      32.7276      0.00000
     39      32.7276      0.00000
     40      33.7042      0.00000

 k-point    99 :       0.4667    0.4000    0.2000
  band No.  band energies     occupation 
      1      -7.9670      2.00000
      2      -7.3936      2.00000
      3      -6.3049      2.00000
      4      -5.8157      2.00000
      5      -2.0824      2.00000
      6      -1.6132      2.00000
      7      -0.5736      2.00000
      8      -0.0235      2.00000
      9       3.7760      2.00000
     10       4.1305      2.00000
     11       4.9648      2.00000
     12       5.4415      2.00000
     13       6.1804      2.00000
     14       6.2321      2.00000
     15       6.8043      2.00000
     16       7.3338      2.00000
     17      17.5338      0.00000
     18      18.0616      0.00000
     19      18.0832      0.00000
     20      18.2243      0.00000
     21      18.5919      0.00000
     22      18.8358      0.00000
     23      19.1256      0.00000
     24      19.9473      0.00000
     25      19.9871      0.00000
     26      20.7864      0.00000
     27      21.6725      0.00000
     28      21.7109      0.00000
     29      24.3527      0.00000
     30      24.6024      0.00000
     31      24.8135      0.00000
     32      25.2301      0.00000
     33      28.9772      0.00000
     34      29.4882      0.00000
     35      30.4655      0.00000
     36      30.7450      0.00000
     37      31.5960      0.00000
     38      32.1370      0.00000
     39      32.8904      0.00000
     40      33.1773      0.00000

 k-point   100 :       0.4667    0.4667    0.2000
  band No.  band energies     occupation 
      1      -7.4721      2.00000
      2      -6.9144      2.00000
      3      -6.9144      2.00000
      4      -6.3818      2.00000
      5      -1.6733      2.00000
      6      -1.1635      2.00000
      7      -1.1635      2.00000
      8      -0.6296      2.00000
      9       4.1702      2.00000
     10       4.5700      2.00000
     11       4.5700      2.00000
     12       5.0085      2.00000
     13       6.5732      2.00000
     14       6.7807      2.00000
     15       6.7807      2.00000
     16       7.1586      2.00000
     17      17.7147      0.00000
     18      18.0810      0.00000
     19      18.0810      0.00000
     20      18.2190      0.00000
     21      18.8736      0.00000
     22      19.0875      0.00000
     23      19.0875      0.00000
     24      19.7339      0.00000
     25      20.1694      0.00000
     26      20.8101      0.00000
     27      20.8101      0.00000
     28      21.0494      0.00000
     29      24.8971      0.00000
     30      24.9388      0.00000
     31      24.9388      0.00000
     32      25.2299      0.00000
     33      29.5835      0.00000
     34      30.0791      0.00000
     35      30.0791      0.00000
     36      30.5117      0.00000
     37      31.7730      0.00000
     38      32.2554      0.00000
     39      32.2554      0.00000
     40      32.5934      0.00000

 k-point   101 :       0.2667    0.2667    0.2667
  band No.  band energies     occupation 
      1      -9.7835      2.00000
      2      -5.7639      2.00000
      3      -5.7639      2.00000
      4      -5.7639      2.00000
      5      -1.2509      2.00000
      6      -1.2509      2.00000
      7      -1.2509      2.00000
      8       2.6366      2.00000
      9       3.3910      2.00000
     10       3.3910      2.00000
     11       3.3910      2.00000
     12       5.0986      2.00000
     13       5.0986      2.00000
     14       5.0986      2.00000
     15       7.9439      2.00000
     16       7.9439      2.00000
     17      16.1286      0.00000
     18      16.1286      0.00000
     19      16.1286      0.00000
     20      17.7871      0.00000
     21      17.7871      0.00000
     22      18.1572      0.00000
     23      21.9486      0.00000
     24      21.9486      0.00000
     25      21.9486      0.00000
     26      22.2778      0.00000
     27      22.2778      0.00000
     28      22.2778      0.00000
     29      22.8376      0.00000
     30      22.8376      0.00000
     31      22.8376      0.00000
     32      24.7182      0.00000
     33      30.1288      0.00000
     34      30.1288      0.00000
     35      30.1288      0.00000
     36      30.6873      0.00000
     37      32.3631      0.00000
     38      32.3631      0.00000
     39      33.5995      0.00000
     40      33.5995      0.00000

 k-point   102 :       0.3333    0.2667    0.2667
  band No.  band energies     occupation 
      1      -9.4225      2.00000
      2      -6.5228      2.00000
      3      -5.5039      2.00000
      4      -5.5039      2.00000
      5      -1.8704      2.00000
      6      -1.8704      2.00000
      7      -0.9032      2.00000
      8       1.8999      2.00000
      9       3.5647      2.00000
     10       3.5647      2.00000
     11       4.4085      2.00000
     12       5.2647      2.00000
     13       5.2647      2.00000
     14       5.3938      2.00000
     15       7.4964      2.00000
     16       7.8965      2.00000
     17      16.3681      0.00000
     18      16.5449      0.00000
     19      16.5449      0.00000
     20      17.6255      0.00000
     21      18.2870      0.00000
     22      18.4025      0.00000
     23      21.4184      0.00000
     24      21.4184      0.00000
     25      21.5687      0.00000
     26      21.9409      0.00000
     27      22.3740      0.00000
     28      22.6059      0.00000
     29      22.6059      0.00000
     30      23.1333      0.00000
     31      23.1333      0.00000
     32      24.7577      0.00000
     33      29.6365      0.00000
     34      29.6365      0.00000
     35      30.5574      0.00000
     36      30.7793      0.00000
     37      31.8224      0.00000
     38      33.1788      0.00000
     39      33.3265      0.00000
     40      33.8131      0.00000

 k-point   103 :       0.4000    0.2667    0.2667
  band No.  band energies     occupation 
      1      -8.9843      2.00000
      2      -7.2344      2.00000
      3      -5.2448      2.00000
      4      -5.2448      2.00000
      5      -2.3776      2.00000
      6      -2.3776      2.00000
      7      -0.4794      2.00000
      8       1.2125      2.00000
      9       3.7124      2.00000
     10       3.7124      2.00000
     11       5.3284      2.00000
     12       5.3284      2.00000
     13       5.3818      2.00000
     14       5.7436      2.00000
     15       7.0326      2.00000
     16       7.5763      2.00000
     17      16.6328      0.00000
     18      17.1912      0.00000
     19      17.1912      0.00000
     20      17.4173      0.00000
     21      18.8537      0.00000
     22      18.8566      0.00000
     23      20.3826      0.00000
     24      20.3826      0.00000
     25      20.8492      0.00000
     26      21.0714      0.00000
     27      22.6219      0.00000
     28      22.6219      0.00000
     29      22.8734      0.00000
     30      24.1272      0.00000
     31      24.1272      0.00000
     32      24.5044      0.00000
     33      29.0517      0.00000
     34      29.0517      0.00000
     35      30.8389      0.00000
     36      30.9131      0.00000
     37      31.6176      0.00000
     38      32.7091      0.00000
     39      33.9181      0.00000
     40      33.9181      0.00000

 k-point   104 :       0.4667    0.2667    0.2667
  band No.  band energies     occupation 
      1      -8.4711      2.00000
      2      -7.8863      2.00000
      3      -5.0654      2.00000
      4      -5.0654      2.00000
      5      -2.6833      2.00000
      6      -2.6833      2.00000
      7       0.0173      2.00000
      8       0.5829      2.00000
      9       3.8010      2.00000
     10       3.8010      2.00000
     11       5.3386      2.00000
     12       5.3386      2.00000
     13       6.1406      2.00000
     14       6.2671      2.00000
     15       6.5748      2.00000
     16       7.0162      2.00000
     17      16.9067      0.00000
     18      17.1733      0.00000
     19      17.9245      0.00000
     20      17.9245      0.00000
     21      19.4492      0.00000
     22      19.4492      0.00000
     23      19.4766      0.00000
     24      19.4853      0.00000
     25      20.1459      0.00000
     26      20.2391      0.00000
     27      22.6268      0.00000
     28      22.6268      0.00000
     29      23.4430      0.00000
     30      24.0219      0.00000
     31      24.8279      0.00000
     32      24.8279      0.00000
     33      28.5666      0.00000
     34      28.5666      0.00000
     35      30.9729      0.00000
     36      30.9904      0.00000
     37      31.8059      0.00000
     38      32.2252      0.00000
     39      33.9494      0.00000
     40      33.9494      0.00000

 k-point   105 :       0.3333    0.3333    0.2667
  band No.  band energies     occupation 
      1      -9.0644      2.00000
      2      -6.2210      2.00000
      3      -6.2210      2.00000
      4      -5.3158      2.00000
      5      -2.4489      2.00000
      6      -1.5793      2.00000
      7      -1.5793      2.00000
      8       1.1599      2.00000
      9       3.8324      2.00000
     10       4.5311      2.00000
     11       4.5311      2.00000
     12       5.5800      2.00000
     13       5.5800      2.00000
     14       5.5868      2.00000
     15       7.2846      2.00000
     16       7.8096      2.00000
     17      16.7089      0.00000
     18      16.7891      0.00000
     19      16.7891      0.00000
     20      17.8793      0.00000
     21      18.2981      0.00000
     22      18.4791      0.00000
     23      20.7416      0.00000
     24      20.7416      0.00000
     25      21.2294      0.00000
     26      21.8331      0.00000
     27      21.8331      0.00000
     28      21.9914      0.00000
     29      23.3857      0.00000
     30      23.3857      0.00000
     31      23.9624      0.00000
     32      24.9465      0.00000
     33      29.4309      0.00000
     34      30.1697      0.00000
     35      30.1697      0.00000
     36      30.8277      0.00000
     37      32.0925      0.00000
     38      33.4537      0.00000
     39      33.4537      0.00000
     40      33.4589      0.00000

 k-point   106 :       0.4000    0.3333    0.2667
  band No.  band energies     occupation 
      1      -8.6303      2.00000
      2      -6.9094      2.00000
      3      -5.8810      2.00000
      4      -5.2079      2.00000
      5      -2.8254      2.00000
      6      -2.1731      2.00000
      7      -1.1865      2.00000
      8       0.4730      2.00000
      9       4.0796      2.00000
     10       4.5476      2.00000
     11       5.3696      2.00000
     12       5.7172      2.00000
     13       5.7770      2.00000
     14       6.0078      2.00000
     15       6.8901      2.00000
     16       7.6061      2.00000
     17      17.0574      0.00000
     18      17.1277      0.00000
     19      17.4159      0.00000
     20      17.8002      0.00000
     21      18.6095      0.00000
     22      18.8265      0.00000
     23      19.7942      0.00000
     24      20.0931      0.00000
     25      20.4289      0.00000
     26      20.9985      0.00000
     27      21.8194      0.00000
     28      21.8276      0.00000
     29      23.7657      0.00000
     30      24.3305      0.00000
     31      24.7566      0.00000
     32      24.8840      0.00000
     33      29.2006      0.00000
     34      29.6980      0.00000
     35      30.5685      0.00000
     36      30.9118      0.00000
     37      32.0338      0.00000
     38      33.0315      0.00000
     39      33.6770      0.00000
     40      34.2143      0.00000

 k-point   107 :       0.4667    0.3333    0.2667
  band No.  band energies     occupation 
      1      -8.1233      2.00000
      2      -7.5473      2.00000
      3      -5.5417      2.00000
      4      -5.2831      2.00000
      5      -2.8894      2.00000
      6      -2.6377      2.00000
      7      -0.7077      2.00000
      8      -0.1520      2.00000
      9       4.2978      2.00000
     10       4.4633      2.00000
     11       5.8086      2.00000
     12       5.8399      2.00000
     13       5.9826      2.00000
     14       6.4561      2.00000
     15       6.5906      2.00000
     16       7.1792      2.00000
     17      17.3308      0.00000
     18      17.5875      0.00000
     19      17.7298      0.00000
     20      18.0324      0.00000
     21      19.0040      0.00000
     22      19.0730      0.00000
     23      19.4472      0.00000
     24      19.4962      0.00000
     25      19.5047      0.00000
     26      20.1893      0.00000
     27      21.8128      0.00000
     28      21.8219      0.00000
     29      24.1913      0.00000
     30      24.5975      0.00000
     31      25.0165      0.00000
     32      25.1860      0.00000
     33      29.0752      0.00000
     34      29.2604      0.00000
     35      30.8172      0.00000
     36      30.9273      0.00000
     37      32.1993      0.00000
     38      32.5839      0.00000
     39      33.8780      0.00000
     40      34.0841      0.00000

 k-point   108 :       0.4000    0.4000    0.2667
  band No.  band energies     occupation 
      1      -8.2024      2.00000
      2      -6.5278      2.00000
      3      -6.5278      2.00000
      4      -5.3560      2.00000
      5      -2.9598      2.00000
      6      -1.8244      2.00000
      7      -1.8244      2.00000
      8      -0.2103      2.00000
      9       4.4045      2.00000
     10       5.2071      2.00000
     11       5.2071      2.00000
     12       6.1219      2.00000
     13       6.2367      2.00000
     14       6.2367      2.00000
     15       6.5502      2.00000
     16       7.5458      2.00000
     17      17.3043      0.00000
     18      17.6600      0.00000
     19      17.6600      0.00000
     20      18.1469      0.00000
     21      18.4830      0.00000
     22      18.9467      0.00000
     23      19.2884      0.00000
     24      19.2884      0.00000
     25      20.2221      0.00000
     26      20.9851      0.00000
     27      20.9851      0.00000
     28      21.1472      0.00000
     29      24.5827      0.00000
     30      24.5827      0.00000
     31      25.0638      0.00000
     32      25.2431      0.00000
     33      29.4132      0.00000
     34      30.2521      0.00000
     35      30.2521      0.00000
     36      30.9477      0.00000
     37      32.2408      0.00000
     38      33.3146      0.00000
     39      33.3146      0.00000
     40      34.2526      0.00000

 k-point   109 :       0.4667    0.4000    0.2667
  band No.  band energies     occupation 
      1      -7.7044      2.00000
      2      -7.1426      2.00000
      3      -6.1084      2.00000
      4      -5.6907      2.00000
      5      -2.7734      2.00000
      6      -2.3677      2.00000
      7      -1.3696      2.00000
      8      -0.8277      2.00000
      9       4.7051      2.00000
     10       4.9777      2.00000
     11       5.7162      2.00000
     12       6.1529      2.00000
     13       6.3139      2.00000
     14       6.3468      2.00000
     15       6.8016      2.00000
     16       7.2692      2.00000
     17      17.7004      0.00000
     18      17.9020      0.00000
     19      18.1044      0.00000
     20      18.1097      0.00000
     21      18.6161      0.00000
     22      18.8718      0.00000
     23      18.8922      0.00000
     24      19.4310      0.00000
     25      19.5213      0.00000
     26      20.1617      0.00000
     27      20.9650      0.00000
     28      20.9650      0.00000
     29      24.8372      0.00000
     30      25.0269      0.00000
     31      25.1779      0.00000
     32      25.4128      0.00000
     33      29.6564      0.00000
     34      29.9352      0.00000
     35      30.6629      0.00000
     36      30.8972      0.00000
     37      32.4790      0.00000
     38      32.8794      0.00000
     39      33.6014      0.00000
     40      33.9890      0.00000

 k-point   110 :       0.4667    0.4667    0.2667
  band No.  band energies     occupation 
      1      -7.2204      2.00000
      2      -6.6818      2.00000
      3      -6.6818      2.00000
      4      -6.1843      2.00000
      5      -2.4343      2.00000
      6      -1.9526      2.00000
      7      -1.9526      2.00000
      8      -1.4324      2.00000
      9       5.0699      2.00000
     10       5.4080      2.00000
     11       5.4080      2.00000
     12       5.7970      2.00000
     13       6.6609      2.00000
     14       6.8279      2.00000
     15       6.8279      2.00000
     16       7.1520      2.00000
     17      17.8653      0.00000
     18      18.1670      0.00000
     19      18.1670      0.00000
     20      18.2983      0.00000
     21      18.6323      0.00000
     22      18.7981      0.00000
     23      18.7981      0.00000
     24      19.3361      0.00000
     25      19.5866      0.00000
     26      20.1555      0.00000
     27      20.1555      0.00000
     28      20.3322      0.00000
     29      25.2484      0.00000
     30      25.2766      0.00000
     31      25.2766      0.00000
     32      25.4605      0.00000
     33      30.1587      0.00000
     34      30.4794      0.00000
     35      30.4794      0.00000
     36      30.7987      0.00000
     37      32.7528      0.00000
     38      33.1661      0.00000
     39      33.1661      0.00000
     40      33.5679      0.00000

 k-point   111 :       0.3333    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.7099      2.00000
      2      -5.9539      2.00000
      3      -5.9539      2.00000
      4      -5.9539      2.00000
      5      -2.2454      2.00000
      6      -2.2454      2.00000
      7      -2.2454      2.00000
      8       0.4141      2.00000
      9       4.8184      2.00000
     10       4.8184      2.00000
     11       4.8184      2.00000
     12       5.8388      2.00000
     13       5.8388      2.00000
     14       5.8388      2.00000
     15       7.4973      2.00000
     16       7.4973      2.00000
     17      16.9602      0.00000
     18      16.9602      0.00000
     19      16.9602      0.00000
     20      18.1439      0.00000
     21      18.1439      0.00000
     22      18.4878      0.00000
     23      20.6041      0.00000
     24      20.6041      0.00000
     25      20.6041      0.00000
     26      21.1546      0.00000
     27      21.1546      0.00000
     28      21.1546      0.00000
     29      24.1917      0.00000
     30      24.1917      0.00000
     31      24.1917      0.00000
     32      25.1757      0.00000
     33      30.0591      0.00000
     34      30.0591      0.00000
     35      30.0591      0.00000
     36      30.8846      0.00000
     37      33.1322      0.00000
     38      33.1322      0.00000
     39      33.7826      0.00000
     40      33.7826      0.00000

 k-point   112 :       0.4000    0.3333    0.3333
  band No.  band energies     occupation 
      1      -8.2811      2.00000
      2      -6.6026      2.00000
      3      -5.6857      2.00000
      4      -5.6857      2.00000
      5      -2.7842      2.00000
      6      -2.7842      2.00000
      7      -1.8960      2.00000
      8      -0.2741      2.00000
      9       5.0001      2.00000
     10       5.0001      2.00000
     11       5.7234      2.00000
     12       6.0283      2.00000
     13       6.0283      2.00000
     14       6.1324      2.00000
     15       7.1562      2.00000
     16       7.4303      2.00000
     17      17.2344      0.00000
     18      17.3640      0.00000
     19      17.3640      0.00000
     20      17.9774      0.00000
     21      18.4917      0.00000
     22      18.6741      0.00000
     23      19.8569      0.00000
     24      19.8569      0.00000
     25      19.9936      0.00000
     26      20.3620      0.00000
     27      21.0259      0.00000
     28      21.0259      0.00000
     29      24.4683      0.00000
     30      24.8965      0.00000
     31      24.8965      0.00000
     32      25.1962      0.00000
     33      29.9223      0.00000
     34      29.9223      0.00000
     35      30.5457      0.00000
     36      30.9813      0.00000
     37      32.8560      0.00000
     38      33.4341      0.00000
     39      34.0161      0.00000
     40      34.0161      0.00000

 k-point   113 :       0.4667    0.3333    0.3333
  band No.  band energies     occupation 
      1      -7.7820      2.00000
      2      -7.2189      2.00000
      3      -5.4986      2.00000
      4      -5.4986      2.00000
      5      -3.1082      2.00000
      6      -3.1082      2.00000
      7      -1.4395      2.00000
      8      -0.8949      2.00000
      9       5.0920      2.00000
     10       5.0920      2.00000
     11       6.1216      2.00000
     12       6.1216      2.00000
     13       6.4582      2.00000
     14       6.4974      2.00000
     15       6.8043      2.00000
     16       7.0846      2.00000
     17      17.5101      0.00000
     18      17.7643      0.00000
     19      17.9055      0.00000
     20      17.9055      0.00000
     21      18.9214      0.00000
     22      19.0713      0.00000
     23      19.0713      0.00000
     24      19.0728      0.00000
     25      19.4262      0.00000
     26      19.6524      0.00000
     27      21.0271      0.00000
     28      21.0271      0.00000
     29      24.7654      0.00000
     30      25.0335      0.00000
     31      25.3216      0.00000
     32      25.3216      0.00000
     33      29.8093      0.00000
     34      29.8093      0.00000
     35      30.8637      0.00000
     36      31.0041      0.00000
     37      32.8547      0.00000
     38      33.0955      0.00000
     39      34.1430      0.00000
     40      34.1430      0.00000

 k-point   114 :       0.4000    0.4000    0.3333
  band No.  band energies     occupation 
      1      -7.8605      2.00000
      2      -6.2559      2.00000
      3      -6.2559      2.00000
      4      -5.5706      2.00000
      5      -3.1824      2.00000
      6      -2.5137      2.00000
      7      -2.5137      2.00000
      8      -0.9588      2.00000
      9       5.3146      2.00000
     10       5.7790      2.00000
     11       5.7790      2.00000
     12       6.3103      2.00000
     13       6.3532      2.00000
     14       6.3532      2.00000
     15       6.9973      2.00000
     16       7.3829      2.00000
     17      17.5297      0.00000
     18      17.6176      0.00000
     19      17.6176      0.00000
     20      18.1712      0.00000
     21      18.4062      0.00000
     22      18.7165      0.00000
     23      19.3445      0.00000
     24      19.3445      0.00000
     25      19.7047      0.00000
     26      20.2631      0.00000
     27      20.2631      0.00000
     28      20.3889      0.00000
     29      25.0540      0.00000
     30      25.0540      0.00000
     31      25.3181      0.00000
     32      25.3365      0.00000
     33      30.1704      0.00000
     34      30.5210      0.00000
     35      30.5210      0.00000
     36      31.0912      0.00000
     37      33.3233      0.00000
     38      33.7673      0.00000
     39      33.7673      0.00000
     40      34.2265      0.00000

 k-point   115 :       0.4667    0.4000    0.3333
  band No.  band energies     occupation 
      1      -7.3743      2.00000
      2      -6.8327      2.00000
      3      -5.9089      2.00000
      4      -5.6444      2.00000
      5      -3.2537      2.00000
      6      -2.9948      2.00000
      7      -2.0955      2.00000
      8      -1.5703      2.00000
      9       5.5408      2.00000
     10       5.6980      2.00000
     11       6.3229      2.00000
     12       6.4766      2.00000
     13       6.4898      2.00000
     14       6.6946      2.00000
     15       6.7810      2.00000
     16       7.1794      2.00000
     17      17.8648      0.00000
     18      17.8868      0.00000
     19      18.0748      0.00000
     20      18.0764      0.00000
     21      18.6095      0.00000
     22      18.7724      0.00000
     23      18.9241      0.00000
     24      19.0205      0.00000
     25      19.0964      0.00000
     26      19.5742      0.00000
     27      20.2501      0.00000
     28      20.2533      0.00000
     29      25.2085      0.00000
     30      25.3217      0.00000
     31      25.4210      0.00000
     32      25.5093      0.00000
     33      30.3671      0.00000
     34      30.4748      0.00000
     35      30.9358      0.00000
     36      31.1188      0.00000
     37      33.4056      0.00000
     38      33.5426      0.00000
     39      34.0554      0.00000
     40      34.2598      0.00000

 k-point   116 :       0.4667    0.4667    0.3333
  band No.  band energies     occupation 
      1      -6.9097      2.00000
      2      -6.4075      2.00000
      3      -6.4075      2.00000
      4      -5.9834      2.00000
      5      -3.0662      2.00000
      6      -2.6520      2.00000
      7      -2.6520      2.00000
      8      -2.1633      2.00000
      9       5.8657      2.00000
     10       6.1201      2.00000
     11       6.1201      2.00000
     12       6.4393      2.00000
     13       6.7596      2.00000
     14       6.8742      2.00000
     15       6.8742      2.00000
     16       7.1318      2.00000
     17      18.0268      0.00000
     18      18.2172      0.00000
     19      18.2172      0.00000
     20      18.3574      0.00000
     21      18.4375      0.00000
     22      18.6063      0.00000
     23      18.6063      0.00000
     24      18.9598      0.00000
     25      19.1213      0.00000
     26      19.5659      0.00000
     27      19.5659      0.00000
     28      19.6962      0.00000
     29      25.4574      0.00000
     30      25.4759      0.00000
     31      25.4759      0.00000
     32      25.5679      0.00000
     33      30.7830      0.00000
     34      30.9545      0.00000
     35      30.9545      0.00000
     36      31.1558      0.00000
     37      33.8324      0.00000
     38      33.9813      0.00000
     39      33.9813      0.00000
     40      34.3646      0.00000

 k-point   117 :       0.4000    0.4000    0.4000
  band No.  band energies     occupation 
      1      -7.4518      2.00000
      2      -5.9819      2.00000
      3      -5.9819      2.00000
      4      -5.9819      2.00000
      5      -3.0695      2.00000
      6      -3.0695      2.00000
      7      -3.0695      2.00000
      8      -1.6383      2.00000
      9       6.1049      2.00000
     10       6.1050      2.00000
     11       6.1050      2.00000
     12       6.5226      2.00000
     13       6.5226      2.00000
     14       6.5226      2.00000
     15       7.1896      2.00000
     16       7.1896      2.00000
     17      17.7648      0.00000
     18      17.7648      0.00000
     19      17.7648      0.00000
     20      18.2863      0.00000
     21      18.2863      0.00000
     22      18.6800      0.00000
     23      19.2272      0.00000
     24      19.2272      0.00000
     25      19.2272      0.00000
     26      19.7166      0.00000
     27      19.7166      0.00000
     28      19.7166      0.00000
     29      25.3859      0.00000
     30      25.3859      0.00000
     31      25.3859      0.00000
     32      25.4644      0.00000
     33      30.8042      0.00000
     34      30.8042      0.00000
     35      30.8042      0.00000
     36      31.2697      0.00000
     37      34.0499      0.00000
     38      34.0499      0.00000
     39      34.0499      0.00000
     40      34.4454      0.00000

 k-point   118 :       0.4667    0.4000    0.4000
  band No.  band energies     occupation 
      1      -6.9860      2.00000
      2      -6.4822      2.00000
      3      -5.7893      2.00000
      4      -5.7893      2.00000
      5      -3.4040      2.00000
      6      -3.4040      2.00000
      7      -2.7254      2.00000
      8      -2.2344      2.00000
      9       6.2160      2.00000
     10       6.2160      2.00000
     11       6.6707      2.00000
     12       6.6707      2.00000
     13       6.7177      2.00000
     14       6.7479      2.00000
     15       6.9743      2.00000
     16       7.0937      2.00000
     17      17.9831      0.00000
     18      18.0692      0.00000
     19      18.0692      0.00000
     20      18.1583      0.00000
     21      18.5027      0.00000
     22      18.7598      0.00000
     23      18.7598      0.00000
     24      18.8199      0.00000
     25      18.8225      0.00000
     26      19.1772      0.00000
     27      19.6092      0.00000
     28      19.6092      0.00000
     29      25.4462      0.00000
     30      25.4843      0.00000
     31      25.5538      0.00000
     32      25.5538      0.00000
     33      30.9940      0.00000
     34      30.9940      0.00000
     35      31.2238      0.00000
     36      31.3626      0.00000
     37      33.9943      0.00000
     38      34.1467      0.00000
     39      34.1889      0.00000
     40      34.1889      0.00000

 k-point   119 :       0.4667    0.4667    0.4000
  band No.  band energies     occupation 
      1      -6.5579      2.00000
      2      -6.1306      2.00000
      3      -6.1306      2.00000
      4      -5.8624      2.00000
      5      -3.4788      2.00000
      6      -3.2155      2.00000
      7      -3.2155      2.00000
      8      -2.7970      2.00000
      9       6.4979      2.00000
     10       6.6442      2.00000
     11       6.6442      2.00000
     12       6.8605      2.00000
     13       6.8701      2.00000
     14       6.9124      2.00000
     15       6.9124      2.00000
     16       7.0931      2.00000
     17      18.1717      0.00000
     18      18.2217      0.00000
     19      18.2217      0.00000
     20      18.3261      0.00000
     21      18.3619      0.00000
     22      18.5284      0.00000
     23      18.5284      0.00000
     24      18.6478      0.00000
     25      18.8425      0.00000
     26      19.1063      0.00000
     27      19.1063      0.00000
     28      19.1925      0.00000
     29      25.5517      0.00000
     30      25.5672      0.00000
     31      25.5672      0.00000
     32      25.5989      0.00000
     33      31.3413      0.00000
     34      31.4055      0.00000
     35      31.4055      0.00000
     36      31.5092      0.00000
     37      34.2023      0.00000
     38      34.2023      0.00000
     39      34.2205      0.00000
     40      34.3707      0.00000

 k-point   120 :       0.4667    0.4667    0.4667
  band No.  band energies     occupation 
      1      -6.2048      2.00000
      2      -5.9354      2.00000
      3      -5.9354      2.00000
      4      -5.9354      2.00000
      5      -3.5548      2.00000
      6      -3.5548      2.00000
      7      -3.5548      2.00000
      8      -3.2900      2.00000
      9       6.9038      2.00000
     10       6.9038      2.00000
     11       6.9038      2.00000
     12       6.9543      2.00000
     13       6.9543      2.00000
     14       6.9543      2.00000
     15       7.0335      2.00000
     16       7.0335      2.00000
     17      18.2695      0.00000
     18      18.2695      0.00000
     19      18.2695      0.00000
     20      18.3205      0.00000
     21      18.3205      0.00000
     22      18.4292      0.00000
     23      18.4292      0.00000
     24      18.4292      0.00000
     25      18.7689      0.00000
     26      18.8760      0.00000
     27      18.8760      0.00000
     28      18.8760      0.00000
     29      25.5840      0.00000
     30      25.5966      0.00000
     31      25.5966      0.00000
     32      25.5966      0.00000
     33      31.6940      0.00000
     34      31.6940      0.00000
     35      31.6940      0.00000
     36      31.7355      0.00000
     37      34.1651      0.00000
     38      34.1651      0.00000
     39      34.1651      0.00000
     40      34.2449      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
  9.427  12.518  -0.000  -0.000  -0.000   0.000   0.000   0.000
 12.518  16.622  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -3.656   0.000   0.000   7.161  -0.000  -0.000
 -0.000  -0.000   0.000  -3.656   0.000  -0.000   7.161  -0.000
 -0.000  -0.000   0.000   0.000  -3.656  -0.000  -0.000   7.161
  0.000   0.000   7.161  -0.000  -0.000 -16.121   0.000   0.000
  0.000   0.000  -0.000   7.161  -0.000   0.000 -16.121   0.000
  0.000   0.000  -0.000  -0.000   7.161   0.000   0.000 -16.121
 total augmentation occupancy for first ion, spin component:           1
  7.402  -3.264   0.000   0.000  -0.000   0.000  -0.000   0.000
 -3.264   1.525   0.000   0.000  -0.000  -0.000  -0.000  -0.000
  0.000   0.000   1.581  -0.000   0.000   0.133  -0.000  -0.000
 -0.000   0.000   0.000   1.581   0.000  -0.000   0.133   0.000
  0.000  -0.000  -0.000  -0.000   1.581  -0.000   0.000   0.133
  0.000   0.000   0.133  -0.000  -0.000   0.013  -0.000   0.000
  0.000  -0.000  -0.000   0.133   0.000  -0.000   0.013   0.000
  0.000   0.000  -0.000   0.000   0.133   0.000   0.000   0.013


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


    CHARGE:  cpu time    0.0371: real time    0.0372
    FORLOC:  cpu time    0.0006: real time    0.0006
    FORNL :  cpu time    0.2054: real time    0.2060
    STRESS:  cpu time    0.9244: real time    0.9267
    FORCOR:  cpu time    0.0049: real time    0.0050
    FORHAR:  cpu time    0.0014: real time    0.0014
    MIXING:  cpu time    0.0003: real time    0.0003
    OFIELD:  cpu time    0.0000: real time    0.0000

  Hirshfeld charges:
            ion         q(e)     
   ------------------------------
      1     C           0.000
      2     C          -0.000
      3     C          -0.000
      4     C          -0.000
      5     C           0.000
      6     C           0.000
      7     C           0.000
      8     C           0.000

  Tkatchenko/Scheffler method for vdW energy calculation
  ---------------------------------------------------------------------------------------------

  Parameters of vdW forcefield:
            C6ts              R0ts           ALPHAts        RELVOL
            (au)              (au)            (au)                
   ---------------------------------------------------------------
   C          38.437          3.477         10.898          0.908
   C          38.437          3.477         10.898          0.908
   C          38.437          3.477         10.898          0.908
   C          38.437          3.477         10.898          0.908
   C          38.437          3.477         10.898          0.908
   C          38.437          3.477         10.898          0.908
   C          38.437          3.477         10.898          0.908
   C          38.437          3.477         10.898          0.908
  Edisp (eV):   -1.75305
    FORVDW:  cpu time    9.9738: real time   10.0554

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   116.71301   116.71301   116.71301
  Ewald    -465.08172  -465.08172  -465.08172    -0.00002    -0.00002    -0.00002
  Hartree    35.06472    35.06472    35.06472    -0.00000    -0.00000    -0.00000
  E(xc)    -121.96116  -121.96116  -121.96116     0.00000     0.00000     0.00000
  Local     -44.00075   -44.00075   -44.00075     0.00001     0.00001     0.00001
  n-local   -28.70699   -29.47677   -28.92698     0.68591     0.81429     0.40626
  augment    -2.92160    -2.92160    -2.92160     0.00000     0.00000     0.00000
  Kinetic   501.25823   517.46103   519.01669    -4.91903    -6.60256    -3.46964
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -0.16224    -1.55355    -2.55908     0.31632     0.22729     0.18387
  -------------------------------------------------------------------------------------
  Total      -0.07073    -0.07073    -0.07073     0.00000     0.00000    -0.00000
  in kB      -2.51577    -2.51577    -2.51577     0.00000     0.00000    -0.00000
  external pressure =       -2.52 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :       45.05
      direct lattice vectors                 reciprocal lattice vectors
     3.558090375  0.000000000  0.000000000     0.281049635  0.000000000 -0.000000000
    -0.000000000  3.558090375  0.000000000    -0.000000000  0.281049635  0.000000000
     0.000000000 -0.000000000  3.558090375    -0.000000000 -0.000000000  0.281049635

  length of vectors
     3.558090375  3.558090375  3.558090375     0.281049635  0.281049635  0.281049635


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.618E-07 -.618E-07 -.618E-07   0.259E-05 0.259E-05 0.259E-05   0.564E-16 -.191E-16 0.390E-16   0.393E-11 0.392E-11 0.392E-11
   -.618E-07 -.618E-07 -.618E-07   0.259E-05 0.259E-05 0.259E-05   0.416E-16 -.152E-16 0.199E-16   0.393E-11 0.392E-11 0.392E-11
   -.618E-07 -.618E-07 -.618E-07   0.259E-05 0.259E-05 0.259E-05   0.781E-17 0.182E-16 0.234E-16   0.393E-11 0.392E-11 0.392E-11
   -.618E-07 -.618E-07 -.618E-07   0.259E-05 0.259E-05 0.259E-05   0.503E-16 -.130E-17 0.199E-16   0.393E-11 0.392E-11 0.392E-11
   -.147E-04 -.126E-06 -.147E-04   -.105E-04 0.527E-05 -.105E-04   -.208E-16 0.212E-16 -.130E-16   -.592E-10 0.307E-10 -.592E-10
   -.126E-06 -.126E-06 -.126E-06   0.527E-05 0.527E-05 0.527E-05   -.130E-16 -.147E-16 -.165E-16   0.307E-10 0.307E-10 0.307E-10
   -.126E-06 -.147E-04 -.147E-04   0.527E-05 -.105E-04 -.105E-04   -.347E-16 -.230E-16 -.781E-17   0.307E-10 -.592E-10 -.592E-10
   -.147E-04 -.147E-04 -.126E-06   -.105E-04 -.105E-04 0.527E-05   -.408E-16 0.867E-17 -.408E-16   -.592E-10 -.592E-10 0.307E-10
 -----------------------------------------------------------------------------------------------
   -.300E-04 -.300E-04 -.300E-04   -.140E-13 -.145E-13 -.134E-15   0.468E-16 -.252E-16 0.243E-16   -.414E-10 -.414E-10 -.414E-10
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.00000     -0.00000     -0.00000         0.000000      0.000000      0.000000
     -0.00000      1.77905      1.77905         0.000000      0.000000      0.000000
      1.77905      1.77905      0.00000        -0.000000      0.000000      0.000000
      1.77905     -0.00000      1.77905         0.000000      0.000000      0.000000
      2.66857      0.88952      2.66857        -0.000000     -0.000000     -0.000000
      0.88952      0.88952      0.88952         0.000000     -0.000000     -0.000000
      0.88952      2.66857      2.66857        -0.000000     -0.000000     -0.000000
      2.66857      2.66857      0.88952        -0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000030     -0.000030     -0.000030


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -74.51919325 eV

  energy  without entropy=      -74.51919325  energy(sigma->0) =      -74.51919325
 
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Energy = 0.7674433E-04-0.767E-04
 d Force = 0.0000000E+00[ 0.000E+00, 0.000E+00]  d Ewald  = 0.4589086E+00-0.459E+00


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


    POTLOK:  cpu time    0.0066: real time    0.0066


