 vasp.5.3.3 18Dez12 (build Oct 13 2015 19:46:31) complex                        
  
 executed on             LinuxIFC date 2015.12.07  11:45:57
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   4 cores,    4 groups


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


 INCAR:
 POTCAR:    PAW_PBE P 06Sep2000                   
 POTCAR:    PAW_PBE P 06Sep2000                   
   VRHFIN =P : s2p3                                                             
   LEXCH  = PE                                                                  
   EATOM  =   176.0430 eV,   12.9388 Ry                                         
                                                                                
   TITEL  = PAW_PBE P 06Sep2000                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   30.974; ZVAL   =    5.000    mass and valenz                      
   RCORE  =    1.900    outmost cutoff radius                                   
   RWIGS  =    2.330; RWIGS  =    1.233    wigner-seitz radius (au A)           
   ENMAX  =  255.040; ENMIN  =  191.280 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  342.924                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.935    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.931    radius for radial grids                                 
   RDEPT  =    1.794    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    6 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -2084.0982   2.0000                                         
     2  0  0.50      -173.9859   2.0000                                         
     2  1  1.50      -124.4865   6.0000                                         
     3  0  0.50       -13.9692   2.0000                                         
     3  1  0.50        -5.5067   3.0000                                         
     3  2  1.50        -5.4423   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -13.9691527     23  1.900                                             
     0    -11.7794650     23  1.900                                             
     1     -5.5066937     23  1.900                                             
     1     -0.2556953     23  1.900                                             
     2     -5.4423304     23  1.900                                             
  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 P 06Sep2000                   :
 energy of atom  1       EATOM= -176.0430
 kinetic energy error for atom=    0.0008 (will be added to EATOM!!)
 
 
 POSCAR:  P                                      
  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  0.708-   2 2.18   4 2.91   4 2.91   4 2.91   4 2.91
   2  0.000  0.000  0.292-   1 2.18   3 2.91   3 2.91   3 2.91   3 2.91
   3  0.500  0.500  0.208-   4 2.18   2 2.91   2 2.91   2 2.91   2 2.91
   4  0.500  0.500  0.792-   3 2.18   1 2.91   1 2.91   1 2.91   1 2.91
 
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.0616348000
 C/A-ratio  =     1.2935630747
  
  Lattice vectors:
  
 A1 = (   4.0616348000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.0616348000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   5.2539808000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     4.0616348000
 C/A-ratio  =     1.2935630747
  
  Lattice vectors:
  
 A1 = (  -2.0308174000,  -2.0308174000,   2.6269904000)
 A2 = (   2.0308174000,   2.0308174000,   2.6269904000)
 A3 = (  -2.0308174000,   2.0308174000,  -2.6269904000)
 
   2 primitive cells build up your supercell.
 

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


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


The static configuration has the point symmetry D_4h.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a body centered tetragonal cell.
 ALAT       =     4.0616348000
 C/A-ratio  =     1.2935630747
  
  Lattice vectors:
  
 A1 = (  -2.0308174000,  -2.0308174000,   2.6269904000)
 A2 = (   2.0308174000,   2.0308174000,   2.6269904000)
 A3 = (  -2.0308174000,   2.0308174000,  -2.6269904000)
 
   2 primitive cells build up your supercell.
 

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


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


The dynamic configuration has the point symmetry D_4h.


Analysis of magnetic symmetry:
=====================================================================

 Subroutine MAGSYM returns: Found 16 space group operations
 (whereof 16 operations were pure point group operations)
 out of a pool of 16 trial space group operations
 (whereof 16 operations were pure point group operations)
 and found also     2 'primitive' translations


The magnetic configuration has the point symmetry D_4h.


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


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

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 


 irot  :  13
 --------------------------------------------------------------------
 isymop:   1   0   0
           0  -1   0
           0   0  -1

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


 irot  :  14
 --------------------------------------------------------------------
 isymop:  -1   0   0
           0   1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 


 irot  :  15
 --------------------------------------------------------------------
 isymop:   0  -1   0
          -1   0   0
           0   0  -1

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   4)  (   2->   3)  (   3->   2)  (   4->   1) 


 irot  :  16
 --------------------------------------------------------------------
 isymop:   0   1   0
           1   0   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

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

 ptrans:     0.5000000     0.5000000     0.5000000
 rotmap:
 (   1->   3)  (   2->   4)  (   3->   1)  (   4->   2) 
 
 
 KPOINTS:                                         

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     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    4    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    7     1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   11     1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   13     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   15     1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   16    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    120 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.111111  0.000000  0.000000      2.000000
  0.222222  0.000000  0.000000      2.000000
  0.333333  0.000000  0.000000      2.000000
  0.444444  0.000000  0.000000      2.000000
  0.000000  0.090909  0.000000      2.000000
  0.111111  0.090909  0.000000      4.000000
  0.222222  0.090909  0.000000      4.000000
  0.333333  0.090909  0.000000      4.000000
  0.444444  0.090909  0.000000      4.000000
  0.000000  0.181818  0.000000      2.000000
  0.111111  0.181818  0.000000      4.000000
  0.222222  0.181818  0.000000      4.000000
  0.333333  0.181818  0.000000      4.000000
  0.444444  0.181818  0.000000      4.000000
  0.000000  0.272727  0.000000      2.000000
  0.111111  0.272727  0.000000      4.000000
  0.222222  0.272727  0.000000      4.000000
  0.333333  0.272727  0.000000      4.000000
  0.444444  0.272727  0.000000      4.000000
  0.000000  0.363636  0.000000      2.000000
  0.111111  0.363636  0.000000      4.000000
  0.222222  0.363636  0.000000      4.000000
  0.333333  0.363636  0.000000      4.000000
  0.444444  0.363636  0.000000      4.000000
  0.000000  0.454545  0.000000      2.000000
  0.111111  0.454545  0.000000      4.000000
  0.222222  0.454545  0.000000      4.000000
  0.333333  0.454545  0.000000      4.000000
  0.444444  0.454545  0.000000      4.000000
  0.000000  0.000000  0.142857      2.000000
  0.111111  0.000000  0.142857      4.000000
  0.222222  0.000000  0.142857      4.000000
  0.333333  0.000000  0.142857      4.000000
  0.444444  0.000000  0.142857      4.000000
  0.000000  0.090909  0.142857      4.000000
  0.111111  0.090909  0.142857      8.000000
  0.222222  0.090909  0.142857      8.000000
  0.333333  0.090909  0.142857      8.000000
  0.444444  0.090909  0.142857      8.000000
  0.000000  0.181818  0.142857      4.000000
  0.111111  0.181818  0.142857      8.000000
  0.222222  0.181818  0.142857      8.000000
  0.333333  0.181818  0.142857      8.000000
  0.444444  0.181818  0.142857      8.000000
  0.000000  0.272727  0.142857      4.000000
  0.111111  0.272727  0.142857      8.000000
  0.222222  0.272727  0.142857      8.000000
  0.333333  0.272727  0.142857      8.000000
  0.444444  0.272727  0.142857      8.000000
  0.000000  0.363636  0.142857      4.000000
  0.111111  0.363636  0.142857      8.000000
  0.222222  0.363636  0.142857      8.000000
  0.333333  0.363636  0.142857      8.000000
  0.444444  0.363636  0.142857      8.000000
  0.000000  0.454545  0.142857      4.000000
  0.111111  0.454545  0.142857      8.000000
  0.222222  0.454545  0.142857      8.000000
  0.333333  0.454545  0.142857      8.000000
  0.444444  0.454545  0.142857      8.000000
  0.000000  0.000000  0.285714      2.000000
  0.111111  0.000000  0.285714      4.000000
  0.222222  0.000000  0.285714      4.000000
  0.333333  0.000000  0.285714      4.000000
  0.444444  0.000000  0.285714      4.000000
  0.000000  0.090909  0.285714      4.000000
  0.111111  0.090909  0.285714      8.000000
  0.222222  0.090909  0.285714      8.000000
  0.333333  0.090909  0.285714      8.000000
  0.444444  0.090909  0.285714      8.000000
  0.000000  0.181818  0.285714      4.000000
  0.111111  0.181818  0.285714      8.000000
  0.222222  0.181818  0.285714      8.000000
  0.333333  0.181818  0.285714      8.000000
  0.444444  0.181818  0.285714      8.000000
  0.000000  0.272727  0.285714      4.000000
  0.111111  0.272727  0.285714      8.000000
  0.222222  0.272727  0.285714      8.000000
  0.333333  0.272727  0.285714      8.000000
  0.444444  0.272727  0.285714      8.000000
  0.000000  0.363636  0.285714      4.000000
  0.111111  0.363636  0.285714      8.000000
  0.222222  0.363636  0.285714      8.000000
  0.333333  0.363636  0.285714      8.000000
  0.444444  0.363636  0.285714      8.000000
  0.000000  0.454545  0.285714      4.000000
  0.111111  0.454545  0.285714      8.000000
  0.222222  0.454545  0.285714      8.000000
  0.333333  0.454545  0.285714      8.000000
  0.444444  0.454545  0.285714      8.000000
  0.000000  0.000000  0.428571      2.000000
  0.111111  0.000000  0.428571      4.000000
  0.222222  0.000000  0.428571      4.000000
  0.333333  0.000000  0.428571      4.000000
  0.444444  0.000000  0.428571      4.000000
  0.000000  0.090909  0.428571      4.000000
  0.111111  0.090909  0.428571      8.000000
  0.222222  0.090909  0.428571      8.000000
  0.333333  0.090909  0.428571      8.000000
  0.444444  0.090909  0.428571      8.000000
  0.000000  0.181818  0.428571      4.000000
  0.111111  0.181818  0.428571      8.000000
  0.222222  0.181818  0.428571      8.000000
  0.333333  0.181818  0.428571      8.000000
  0.444444  0.181818  0.428571      8.000000
  0.000000  0.272727  0.428571      4.000000
  0.111111  0.272727  0.428571      8.000000
  0.222222  0.272727  0.428571      8.000000
  0.333333  0.272727  0.428571      8.000000
  0.444444  0.272727  0.428571      8.000000
  0.000000  0.363636  0.428571      4.000000
  0.111111  0.363636  0.428571      8.000000
  0.222222  0.363636  0.428571      8.000000
  0.333333  0.363636  0.428571      8.000000
  0.444444  0.363636  0.428571      8.000000
  0.000000  0.454545  0.428571      4.000000
  0.111111  0.454545  0.428571      8.000000
  0.222222  0.454545  0.428571      8.000000
  0.333333  0.454545  0.428571      8.000000
  0.444444  0.454545  0.428571      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.027356  0.000000  0.000000      2.000000
  0.054713  0.000000  0.000000      2.000000
  0.082069  0.000000  0.000000      2.000000
  0.109425  0.000000  0.000000      2.000000
  0.000000  0.022382  0.000000      2.000000
  0.027356  0.022382  0.000000      4.000000
  0.054713  0.022382  0.000000      4.000000
  0.082069  0.022382  0.000000      4.000000
  0.109425  0.022382  0.000000      4.000000
  0.000000  0.044765  0.000000      2.000000
  0.027356  0.044765  0.000000      4.000000
  0.054713  0.044765  0.000000      4.000000
  0.082069  0.044765  0.000000      4.000000
  0.109425  0.044765  0.000000      4.000000
  0.000000  0.067147  0.000000      2.000000
  0.027356  0.067147  0.000000      4.000000
  0.054713  0.067147  0.000000      4.000000
  0.082069  0.067147  0.000000      4.000000
  0.109425  0.067147  0.000000      4.000000
  0.000000  0.089530  0.000000      2.000000
  0.027356  0.089530  0.000000      4.000000
  0.054713  0.089530  0.000000      4.000000
  0.082069  0.089530  0.000000      4.000000
  0.109425  0.089530  0.000000      4.000000
  0.000000  0.111912  0.000000      2.000000
  0.027356  0.111912  0.000000      4.000000
  0.054713  0.111912  0.000000      4.000000
  0.082069  0.111912  0.000000      4.000000
  0.109425  0.111912  0.000000      4.000000
  0.000000  0.000000  0.027190      2.000000
  0.027356  0.000000  0.027190      4.000000
  0.054713  0.000000  0.027190      4.000000
  0.082069  0.000000  0.027190      4.000000
  0.109425  0.000000  0.027190      4.000000
  0.000000  0.022382  0.027190      4.000000
  0.027356  0.022382  0.027190      8.000000
  0.054713  0.022382  0.027190      8.000000
  0.082069  0.022382  0.027190      8.000000
  0.109425  0.022382  0.027190      8.000000
  0.000000  0.044765  0.027190      4.000000
  0.027356  0.044765  0.027190      8.000000
  0.054713  0.044765  0.027190      8.000000
  0.082069  0.044765  0.027190      8.000000
  0.109425  0.044765  0.027190      8.000000
  0.000000  0.067147  0.027190      4.000000
  0.027356  0.067147  0.027190      8.000000
  0.054713  0.067147  0.027190      8.000000
  0.082069  0.067147  0.027190      8.000000
  0.109425  0.067147  0.027190      8.000000
  0.000000  0.089530  0.027190      4.000000
  0.027356  0.089530  0.027190      8.000000
  0.054713  0.089530  0.027190      8.000000
  0.082069  0.089530  0.027190      8.000000
  0.109425  0.089530  0.027190      8.000000
  0.000000  0.111912  0.027190      4.000000
  0.027356  0.111912  0.027190      8.000000
  0.054713  0.111912  0.027190      8.000000
  0.082069  0.111912  0.027190      8.000000
  0.109425  0.111912  0.027190      8.000000
  0.000000  0.000000  0.054381      2.000000
  0.027356  0.000000  0.054381      4.000000
  0.054713  0.000000  0.054381      4.000000
  0.082069  0.000000  0.054381      4.000000
  0.109425  0.000000  0.054381      4.000000
  0.000000  0.022382  0.054381      4.000000
  0.027356  0.022382  0.054381      8.000000
  0.054713  0.022382  0.054381      8.000000
  0.082069  0.022382  0.054381      8.000000
  0.109425  0.022382  0.054381      8.000000
  0.000000  0.044765  0.054381      4.000000
  0.027356  0.044765  0.054381      8.000000
  0.054713  0.044765  0.054381      8.000000
  0.082069  0.044765  0.054381      8.000000
  0.109425  0.044765  0.054381      8.000000
  0.000000  0.067147  0.054381      4.000000
  0.027356  0.067147  0.054381      8.000000
  0.054713  0.067147  0.054381      8.000000
  0.082069  0.067147  0.054381      8.000000
  0.109425  0.067147  0.054381      8.000000
  0.000000  0.089530  0.054381      4.000000
  0.027356  0.089530  0.054381      8.000000
  0.054713  0.089530  0.054381      8.000000
  0.082069  0.089530  0.054381      8.000000
  0.109425  0.089530  0.054381      8.000000
  0.000000  0.111912  0.054381      4.000000
  0.027356  0.111912  0.054381      8.000000
  0.054713  0.111912  0.054381      8.000000
  0.082069  0.111912  0.054381      8.000000
  0.109425  0.111912  0.054381      8.000000
  0.000000  0.000000  0.081571      2.000000
  0.027356  0.000000  0.081571      4.000000
  0.054713  0.000000  0.081571      4.000000
  0.082069  0.000000  0.081571      4.000000
  0.109425  0.000000  0.081571      4.000000
  0.000000  0.022382  0.081571      4.000000
  0.027356  0.022382  0.081571      8.000000
  0.054713  0.022382  0.081571      8.000000
  0.082069  0.022382  0.081571      8.000000
  0.109425  0.022382  0.081571      8.000000
  0.000000  0.044765  0.081571      4.000000
  0.027356  0.044765  0.081571      8.000000
  0.054713  0.044765  0.081571      8.000000
  0.082069  0.044765  0.081571      8.000000
  0.109425  0.044765  0.081571      8.000000
  0.000000  0.067147  0.081571      4.000000
  0.027356  0.067147  0.081571      8.000000
  0.054713  0.067147  0.081571      8.000000
  0.082069  0.067147  0.081571      8.000000
  0.109425  0.067147  0.081571      8.000000
  0.000000  0.089530  0.081571      4.000000
  0.027356  0.089530  0.081571      8.000000
  0.054713  0.089530  0.081571      8.000000
  0.082069  0.089530  0.081571      8.000000
  0.109425  0.089530  0.081571      8.000000
  0.000000  0.111912  0.081571      4.000000
  0.027356  0.111912  0.081571      8.000000
  0.054713  0.111912  0.081571      8.000000
  0.082069  0.111912  0.081571      8.000000
  0.109425  0.111912  0.081571      8.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =    120   k-points in BZ     NKDIM =    120   number of bands    NBANDS=     16
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  40960
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  15298
   dimension x,y,z NGX =    32 NGY =   32 NGZ =   40
   dimension x,y,z NGXF=    32 NGYF=   32 NGZF=   42
   support grid    NGXF=    64 NGYF=   64 NGZF=   84
   ions per type =               4
 NGX,Y,Z   is equivalent  to a cutoff of  13.10, 13.10, 12.66 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  13.10, 13.10, 13.29 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    31 NGY =   31 NGZ =   40
 SYSTEM =  LiAu                                    
 POSCAR =   P                                      

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

 Electronic Relaxation 1
   ENCUT  =  550.0 eV  40.42 Ry    6.36 a.u.   7.77  7.77 10.05*2*pi/ulx,y,z
   ENINI  =  550.0     initial cutoff
   ENAUG  =  342.9 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  8; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-06   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     =    4 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-05   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      7    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.377E-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 =  30.97
  Ionic Valenz
   ZVAL   =   5.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      20.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.02  broadening in eV -4-tet -1-fermi 0-gaus

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

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.16E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      21.67       146.23
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.004126  1.897522 13.718325  1.008268
  Thomas-Fermi vector in A             =   2.136722
 
 Write flags
   LWAVE  =      T    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      T    write electronic localiz. function (ELF)
   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)


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

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

 Linear response parameters
   LEPSILON=     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

 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



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


 Static calculation
 charge density and potential will be updated during run
 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            6
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.02


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


  energy-cutoff  :      550.00
  volume of cell :       86.67
      direct lattice vectors                 reciprocal lattice vectors
     4.061634800  0.000000000  0.000000000     0.246206281  0.000000000  0.000000000
     0.000000000  4.061634800  0.000000000     0.000000000  0.246206281  0.000000000
     0.000000000  0.000000000  5.253980800     0.000000000  0.000000000  0.190331872

  length of vectors
     4.061634800  4.061634800  5.253980800     0.246206281  0.246206281  0.190331872


 
 k-points in units of 2pi/SCALE and weight:                                         
   0.00000000  0.00000000  0.00000000       0.001
   0.02735625  0.00000000  0.00000000       0.003
   0.05471251  0.00000000  0.00000000       0.003
   0.08206876  0.00000000  0.00000000       0.003
   0.10942501  0.00000000  0.00000000       0.003
   0.00000000  0.02238239  0.00000000       0.003
   0.02735625  0.02238239  0.00000000       0.006
   0.05471251  0.02238239  0.00000000       0.006
   0.08206876  0.02238239  0.00000000       0.006
   0.10942501  0.02238239  0.00000000       0.006
   0.00000000  0.04476478  0.00000000       0.003
   0.02735625  0.04476478  0.00000000       0.006
   0.05471251  0.04476478  0.00000000       0.006
   0.08206876  0.04476478  0.00000000       0.006
   0.10942501  0.04476478  0.00000000       0.006
   0.00000000  0.06714717  0.00000000       0.003
   0.02735625  0.06714717  0.00000000       0.006
   0.05471251  0.06714717  0.00000000       0.006
   0.08206876  0.06714717  0.00000000       0.006
   0.10942501  0.06714717  0.00000000       0.006
   0.00000000  0.08952956  0.00000000       0.003
   0.02735625  0.08952956  0.00000000       0.006
   0.05471251  0.08952956  0.00000000       0.006
   0.08206876  0.08952956  0.00000000       0.006
   0.10942501  0.08952956  0.00000000       0.006
   0.00000000  0.11191195  0.00000000       0.003
   0.02735625  0.11191195  0.00000000       0.006
   0.05471251  0.11191195  0.00000000       0.006
   0.08206876  0.11191195  0.00000000       0.006
   0.10942501  0.11191195  0.00000000       0.006
   0.00000000  0.00000000  0.02719027       0.003
   0.02735625  0.00000000  0.02719027       0.006
   0.05471251  0.00000000  0.02719027       0.006
   0.08206876  0.00000000  0.02719027       0.006
   0.10942501  0.00000000  0.02719027       0.006
   0.00000000  0.02238239  0.02719027       0.006
   0.02735625  0.02238239  0.02719027       0.012
   0.05471251  0.02238239  0.02719027       0.012
   0.08206876  0.02238239  0.02719027       0.012
   0.10942501  0.02238239  0.02719027       0.012
   0.00000000  0.04476478  0.02719027       0.006
   0.02735625  0.04476478  0.02719027       0.012
   0.05471251  0.04476478  0.02719027       0.012
   0.08206876  0.04476478  0.02719027       0.012
   0.10942501  0.04476478  0.02719027       0.012
   0.00000000  0.06714717  0.02719027       0.006
   0.02735625  0.06714717  0.02719027       0.012
   0.05471251  0.06714717  0.02719027       0.012
   0.08206876  0.06714717  0.02719027       0.012
   0.10942501  0.06714717  0.02719027       0.012
   0.00000000  0.08952956  0.02719027       0.006
   0.02735625  0.08952956  0.02719027       0.012
   0.05471251  0.08952956  0.02719027       0.012
   0.08206876  0.08952956  0.02719027       0.012
   0.10942501  0.08952956  0.02719027       0.012
   0.00000000  0.11191195  0.02719027       0.006
   0.02735625  0.11191195  0.02719027       0.012
   0.05471251  0.11191195  0.02719027       0.012
   0.08206876  0.11191195  0.02719027       0.012
   0.10942501  0.11191195  0.02719027       0.012
   0.00000000  0.00000000  0.05438053       0.003
   0.02735625  0.00000000  0.05438053       0.006
   0.05471251  0.00000000  0.05438053       0.006
   0.08206876  0.00000000  0.05438053       0.006
   0.10942501  0.00000000  0.05438053       0.006
   0.00000000  0.02238239  0.05438053       0.006
   0.02735625  0.02238239  0.05438053       0.012
   0.05471251  0.02238239  0.05438053       0.012
   0.08206876  0.02238239  0.05438053       0.012
   0.10942501  0.02238239  0.05438053       0.012
   0.00000000  0.04476478  0.05438053       0.006
   0.02735625  0.04476478  0.05438053       0.012
   0.05471251  0.04476478  0.05438053       0.012
   0.08206876  0.04476478  0.05438053       0.012
   0.10942501  0.04476478  0.05438053       0.012
   0.00000000  0.06714717  0.05438053       0.006
   0.02735625  0.06714717  0.05438053       0.012
   0.05471251  0.06714717  0.05438053       0.012
   0.08206876  0.06714717  0.05438053       0.012
   0.10942501  0.06714717  0.05438053       0.012
   0.00000000  0.08952956  0.05438053       0.006
   0.02735625  0.08952956  0.05438053       0.012
   0.05471251  0.08952956  0.05438053       0.012
   0.08206876  0.08952956  0.05438053       0.012
   0.10942501  0.08952956  0.05438053       0.012
   0.00000000  0.11191195  0.05438053       0.006
   0.02735625  0.11191195  0.05438053       0.012
   0.05471251  0.11191195  0.05438053       0.012
   0.08206876  0.11191195  0.05438053       0.012
   0.10942501  0.11191195  0.05438053       0.012
   0.00000000  0.00000000  0.08157080       0.003
   0.02735625  0.00000000  0.08157080       0.006
   0.05471251  0.00000000  0.08157080       0.006
   0.08206876  0.00000000  0.08157080       0.006
   0.10942501  0.00000000  0.08157080       0.006
   0.00000000  0.02238239  0.08157080       0.006
   0.02735625  0.02238239  0.08157080       0.012
   0.05471251  0.02238239  0.08157080       0.012
   0.08206876  0.02238239  0.08157080       0.012
   0.10942501  0.02238239  0.08157080       0.012
   0.00000000  0.04476478  0.08157080       0.006
   0.02735625  0.04476478  0.08157080       0.012
   0.05471251  0.04476478  0.08157080       0.012
   0.08206876  0.04476478  0.08157080       0.012
   0.10942501  0.04476478  0.08157080       0.012
   0.00000000  0.06714717  0.08157080       0.006
   0.02735625  0.06714717  0.08157080       0.012
   0.05471251  0.06714717  0.08157080       0.012
   0.08206876  0.06714717  0.08157080       0.012
   0.10942501  0.06714717  0.08157080       0.012
   0.00000000  0.08952956  0.08157080       0.006
   0.02735625  0.08952956  0.08157080       0.012
   0.05471251  0.08952956  0.08157080       0.012
   0.08206876  0.08952956  0.08157080       0.012
   0.10942501  0.08952956  0.08157080       0.012
   0.00000000  0.11191195  0.08157080       0.006
   0.02735625  0.11191195  0.08157080       0.012
   0.05471251  0.11191195  0.08157080       0.012
   0.08206876  0.11191195  0.08157080       0.012
   0.10942501  0.11191195  0.08157080       0.012
 
 k-points in reciprocal lattice and weights:                                         
   0.00000000  0.00000000  0.00000000       0.001
   0.11111111  0.00000000  0.00000000       0.003
   0.22222222  0.00000000  0.00000000       0.003
   0.33333333  0.00000000  0.00000000       0.003
   0.44444444  0.00000000  0.00000000       0.003
   0.00000000  0.09090909  0.00000000       0.003
   0.11111111  0.09090909  0.00000000       0.006
   0.22222222  0.09090909  0.00000000       0.006
   0.33333333  0.09090909  0.00000000       0.006
   0.44444444  0.09090909  0.00000000       0.006
   0.00000000  0.18181818  0.00000000       0.003
   0.11111111  0.18181818  0.00000000       0.006
   0.22222222  0.18181818  0.00000000       0.006
   0.33333333  0.18181818  0.00000000       0.006
   0.44444444  0.18181818  0.00000000       0.006
   0.00000000  0.27272727  0.00000000       0.003
   0.11111111  0.27272727  0.00000000       0.006
   0.22222222  0.27272727  0.00000000       0.006
   0.33333333  0.27272727  0.00000000       0.006
   0.44444444  0.27272727  0.00000000       0.006
   0.00000000  0.36363636  0.00000000       0.003
   0.11111111  0.36363636  0.00000000       0.006
   0.22222222  0.36363636  0.00000000       0.006
   0.33333333  0.36363636  0.00000000       0.006
   0.44444444  0.36363636  0.00000000       0.006
   0.00000000  0.45454545  0.00000000       0.003
   0.11111111  0.45454545  0.00000000       0.006
   0.22222222  0.45454545  0.00000000       0.006
   0.33333333  0.45454545  0.00000000       0.006
   0.44444444  0.45454545  0.00000000       0.006
   0.00000000  0.00000000  0.14285714       0.003
   0.11111111  0.00000000  0.14285714       0.006
   0.22222222  0.00000000  0.14285714       0.006
   0.33333333  0.00000000  0.14285714       0.006
   0.44444444  0.00000000  0.14285714       0.006
   0.00000000  0.09090909  0.14285714       0.006
   0.11111111  0.09090909  0.14285714       0.012
   0.22222222  0.09090909  0.14285714       0.012
   0.33333333  0.09090909  0.14285714       0.012
   0.44444444  0.09090909  0.14285714       0.012
   0.00000000  0.18181818  0.14285714       0.006
   0.11111111  0.18181818  0.14285714       0.012
   0.22222222  0.18181818  0.14285714       0.012
   0.33333333  0.18181818  0.14285714       0.012
   0.44444444  0.18181818  0.14285714       0.012
   0.00000000  0.27272727  0.14285714       0.006
   0.11111111  0.27272727  0.14285714       0.012
   0.22222222  0.27272727  0.14285714       0.012
   0.33333333  0.27272727  0.14285714       0.012
   0.44444444  0.27272727  0.14285714       0.012
   0.00000000  0.36363636  0.14285714       0.006
   0.11111111  0.36363636  0.14285714       0.012
   0.22222222  0.36363636  0.14285714       0.012
   0.33333333  0.36363636  0.14285714       0.012
   0.44444444  0.36363636  0.14285714       0.012
   0.00000000  0.45454545  0.14285714       0.006
   0.11111111  0.45454545  0.14285714       0.012
   0.22222222  0.45454545  0.14285714       0.012
   0.33333333  0.45454545  0.14285714       0.012
   0.44444444  0.45454545  0.14285714       0.012
   0.00000000  0.00000000  0.28571429       0.003
   0.11111111  0.00000000  0.28571429       0.006
   0.22222222  0.00000000  0.28571429       0.006
   0.33333333  0.00000000  0.28571429       0.006
   0.44444444  0.00000000  0.28571429       0.006
   0.00000000  0.09090909  0.28571429       0.006
   0.11111111  0.09090909  0.28571429       0.012
   0.22222222  0.09090909  0.28571429       0.012
   0.33333333  0.09090909  0.28571429       0.012
   0.44444444  0.09090909  0.28571429       0.012
   0.00000000  0.18181818  0.28571429       0.006
   0.11111111  0.18181818  0.28571429       0.012
   0.22222222  0.18181818  0.28571429       0.012
   0.33333333  0.18181818  0.28571429       0.012
   0.44444444  0.18181818  0.28571429       0.012
   0.00000000  0.27272727  0.28571429       0.006
   0.11111111  0.27272727  0.28571429       0.012
   0.22222222  0.27272727  0.28571429       0.012
   0.33333333  0.27272727  0.28571429       0.012
   0.44444444  0.27272727  0.28571429       0.012
   0.00000000  0.36363636  0.28571429       0.006
   0.11111111  0.36363636  0.28571429       0.012
   0.22222222  0.36363636  0.28571429       0.012
   0.33333333  0.36363636  0.28571429       0.012
   0.44444444  0.36363636  0.28571429       0.012
   0.00000000  0.45454545  0.28571429       0.006
   0.11111111  0.45454545  0.28571429       0.012
   0.22222222  0.45454545  0.28571429       0.012
   0.33333333  0.45454545  0.28571429       0.012
   0.44444444  0.45454545  0.28571429       0.012
   0.00000000  0.00000000  0.42857143       0.003
   0.11111111  0.00000000  0.42857143       0.006
   0.22222222  0.00000000  0.42857143       0.006
   0.33333333  0.00000000  0.42857143       0.006
   0.44444444  0.00000000  0.42857143       0.006
   0.00000000  0.09090909  0.42857143       0.006
   0.11111111  0.09090909  0.42857143       0.012
   0.22222222  0.09090909  0.42857143       0.012
   0.33333333  0.09090909  0.42857143       0.012
   0.44444444  0.09090909  0.42857143       0.012
   0.00000000  0.18181818  0.42857143       0.006
   0.11111111  0.18181818  0.42857143       0.012
   0.22222222  0.18181818  0.42857143       0.012
   0.33333333  0.18181818  0.42857143       0.012
   0.44444444  0.18181818  0.42857143       0.012
   0.00000000  0.27272727  0.42857143       0.006
   0.11111111  0.27272727  0.42857143       0.012
   0.22222222  0.27272727  0.42857143       0.012
   0.33333333  0.27272727  0.42857143       0.012
   0.44444444  0.27272727  0.42857143       0.012
   0.00000000  0.36363636  0.42857143       0.006
   0.11111111  0.36363636  0.42857143       0.012
   0.22222222  0.36363636  0.42857143       0.012
   0.33333333  0.36363636  0.42857143       0.012
   0.44444444  0.36363636  0.42857143       0.012
   0.00000000  0.45454545  0.42857143       0.006
   0.11111111  0.45454545  0.42857143       0.012
   0.22222222  0.45454545  0.42857143       0.012
   0.33333333  0.45454545  0.42857143       0.012
   0.44444444  0.45454545  0.42857143       0.012
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.70783650
   0.00000000  0.00000000  0.29216350
   0.50000000  0.50000000  0.20783650
   0.50000000  0.50000000  0.79216350
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  3.71895940
   0.00000000  0.00000000  1.53502140
   2.03081740  2.03081740  1.09196900
   2.03081740  2.03081740  4.16201180
 


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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    2525
 k-point  2 :   0.1111 0.0000 0.0000  plane waves:    2533
 k-point  3 :   0.2222 0.0000 0.0000  plane waves:    2537
 k-point  4 :   0.3333 0.0000 0.0000  plane waves:    2554
 k-point  5 :   0.4444 0.0000 0.0000  plane waves:    2552
 k-point  6 :   0.0000 0.0909 0.0000  plane waves:    2521
 k-point  7 :   0.1111 0.0909 0.0000  plane waves:    2527
 k-point  8 :   0.2222 0.0909 0.0000  plane waves:    2530
 k-point  9 :   0.3333 0.0909 0.0000  plane waves:    2542
 k-point 10 :   0.4444 0.0909 0.0000  plane waves:    2553
 k-point 11 :   0.0000 0.1818 0.0000  plane waves:    2533
 k-point 12 :   0.1111 0.1818 0.0000  plane waves:    2530
 k-point 13 :   0.2222 0.1818 0.0000  plane waves:    2524
 k-point 14 :   0.3333 0.1818 0.0000  plane waves:    2541
 k-point 15 :   0.4444 0.1818 0.0000  plane waves:    2543
 k-point 16 :   0.0000 0.2727 0.0000  plane waves:    2542
 k-point 17 :   0.1111 0.2727 0.0000  plane waves:    2535
 k-point 18 :   0.2222 0.2727 0.0000  plane waves:    2525
 k-point 19 :   0.3333 0.2727 0.0000  plane waves:    2523
 k-point 20 :   0.4444 0.2727 0.0000  plane waves:    2525
 k-point 21 :   0.0000 0.3636 0.0000  plane waves:    2552
 k-point 22 :   0.1111 0.3636 0.0000  plane waves:    2548
 k-point 23 :   0.2222 0.3636 0.0000  plane waves:    2527
 k-point 24 :   0.3333 0.3636 0.0000  plane waves:    2531
 k-point 25 :   0.4444 0.3636 0.0000  plane waves:    2526
 k-point 26 :   0.0000 0.4545 0.0000  plane waves:    2550
 k-point 27 :   0.1111 0.4545 0.0000  plane waves:    2546
 k-point 28 :   0.2222 0.4545 0.0000  plane waves:    2533
 k-point 29 :   0.3333 0.4545 0.0000  plane waves:    2527
 k-point 30 :   0.4444 0.4545 0.0000  plane waves:    2529
 k-point 31 :   0.0000 0.0000 0.1429  plane waves:    2544
 k-point 32 :   0.1111 0.0000 0.1429  plane waves:    2533
 k-point 33 :   0.2222 0.0000 0.1429  plane waves:    2536
 k-point 34 :   0.3333 0.0000 0.1429  plane waves:    2544
 k-point 35 :   0.4444 0.0000 0.1429  plane waves:    2544
 k-point 36 :   0.0000 0.0909 0.1429  plane waves:    2541
 k-point 37 :   0.1111 0.0909 0.1429  plane waves:    2532
 k-point 38 :   0.2222 0.0909 0.1429  plane waves:    2532
 k-point 39 :   0.3333 0.0909 0.1429  plane waves:    2548
 k-point 40 :   0.4444 0.0909 0.1429  plane waves:    2546
 k-point 41 :   0.0000 0.1818 0.1429  plane waves:    2534
 k-point 42 :   0.1111 0.1818 0.1429  plane waves:    2529
 k-point 43 :   0.2222 0.1818 0.1429  plane waves:    2529
 k-point 44 :   0.3333 0.1818 0.1429  plane waves:    2534
 k-point 45 :   0.4444 0.1818 0.1429  plane waves:    2539
 k-point 46 :   0.0000 0.2727 0.1429  plane waves:    2542
 k-point 47 :   0.1111 0.2727 0.1429  plane waves:    2536
 k-point 48 :   0.2222 0.2727 0.1429  plane waves:    2528
 k-point 49 :   0.3333 0.2727 0.1429  plane waves:    2526
 k-point 50 :   0.4444 0.2727 0.1429  plane waves:    2536
 k-point 51 :   0.0000 0.3636 0.1429  plane waves:    2549
 k-point 52 :   0.1111 0.3636 0.1429  plane waves:    2542
 k-point 53 :   0.2222 0.3636 0.1429  plane waves:    2536
 k-point 54 :   0.3333 0.3636 0.1429  plane waves:    2533
 k-point 55 :   0.4444 0.3636 0.1429  plane waves:    2531
 k-point 56 :   0.0000 0.4545 0.1429  plane waves:    2542
 k-point 57 :   0.1111 0.4545 0.1429  plane waves:    2551
 k-point 58 :   0.2222 0.4545 0.1429  plane waves:    2539
 k-point 59 :   0.3333 0.4545 0.1429  plane waves:    2526
 k-point 60 :   0.4444 0.4545 0.1429  plane waves:    2533
 k-point 61 :   0.0000 0.0000 0.2857  plane waves:    2512
 k-point 62 :   0.1111 0.0000 0.2857  plane waves:    2535
 k-point 63 :   0.2222 0.0000 0.2857  plane waves:    2532
 k-point 64 :   0.3333 0.0000 0.2857  plane waves:    2536
 k-point 65 :   0.4444 0.0000 0.2857  plane waves:    2543
 k-point 66 :   0.0000 0.0909 0.2857  plane waves:    2533
 k-point 67 :   0.1111 0.0909 0.2857  plane waves:    2531
 k-point 68 :   0.2222 0.0909 0.2857  plane waves:    2537
 k-point 69 :   0.3333 0.0909 0.2857  plane waves:    2539
 k-point 70 :   0.4444 0.0909 0.2857  plane waves:    2544
 k-point 71 :   0.0000 0.1818 0.2857  plane waves:    2539
 k-point 72 :   0.1111 0.1818 0.2857  plane waves:    2536
 k-point 73 :   0.2222 0.1818 0.2857  plane waves:    2532
 k-point 74 :   0.3333 0.1818 0.2857  plane waves:    2551
 k-point 75 :   0.4444 0.1818 0.2857  plane waves:    2544
 k-point 76 :   0.0000 0.2727 0.2857  plane waves:    2537
 k-point 77 :   0.1111 0.2727 0.2857  plane waves:    2538
 k-point 78 :   0.2222 0.2727 0.2857  plane waves:    2536
 k-point 79 :   0.3333 0.2727 0.2857  plane waves:    2545
 k-point 80 :   0.4444 0.2727 0.2857  plane waves:    2546
 k-point 81 :   0.0000 0.3636 0.2857  plane waves:    2539
 k-point 82 :   0.1111 0.3636 0.2857  plane waves:    2542
 k-point 83 :   0.2222 0.3636 0.2857  plane waves:    2547
 k-point 84 :   0.3333 0.3636 0.2857  plane waves:    2541
 k-point 85 :   0.4444 0.3636 0.2857  plane waves:    2536
 k-point 86 :   0.0000 0.4545 0.2857  plane waves:    2547
 k-point 87 :   0.1111 0.4545 0.2857  plane waves:    2547
 k-point 88 :   0.2222 0.4545 0.2857  plane waves:    2541
 k-point 89 :   0.3333 0.4545 0.2857  plane waves:    2539
 k-point 90 :   0.4444 0.4545 0.2857  plane waves:    2543
 k-point 91 :   0.0000 0.0000 0.4286  plane waves:    2548
 k-point 92 :   0.1111 0.0000 0.4286  plane waves:    2541
 k-point 93 :   0.2222 0.0000 0.4286  plane waves:    2540
 k-point 94 :   0.3333 0.0000 0.4286  plane waves:    2537
 k-point 95 :   0.4444 0.0000 0.4286  plane waves:    2540
 k-point 96 :   0.0000 0.0909 0.4286  plane waves:    2546
 k-point 97 :   0.1111 0.0909 0.4286  plane waves:    2544
 k-point 98 :   0.2222 0.0909 0.4286  plane waves:    2534
 k-point 99 :   0.3333 0.0909 0.4286  plane waves:    2543
 k-point ** :   0.4444 0.0909 0.4286  plane waves:    2545
 k-point ** :   0.0000 0.1818 0.4286  plane waves:    2530
 k-point ** :   0.1111 0.1818 0.4286  plane waves:    2542
 k-point ** :   0.2222 0.1818 0.4286  plane waves:    2536
 k-point ** :   0.3333 0.1818 0.4286  plane waves:    2547
 k-point ** :   0.4444 0.1818 0.4286  plane waves:    2550
 k-point ** :   0.0000 0.2727 0.4286  plane waves:    2525
 k-point ** :   0.1111 0.2727 0.4286  plane waves:    2532
 k-point ** :   0.2222 0.2727 0.4286  plane waves:    2539
 k-point ** :   0.3333 0.2727 0.4286  plane waves:    2547
 k-point ** :   0.4444 0.2727 0.4286  plane waves:    2553
 k-point ** :   0.0000 0.3636 0.4286  plane waves:    2542
 k-point ** :   0.1111 0.3636 0.4286  plane waves:    2546
 k-point ** :   0.2222 0.3636 0.4286  plane waves:    2544
 k-point ** :   0.3333 0.3636 0.4286  plane waves:    2534
 k-point ** :   0.4444 0.3636 0.4286  plane waves:    2542
 k-point ** :   0.0000 0.4545 0.4286  plane waves:    2544
 k-point ** :   0.1111 0.4545 0.4286  plane waves:    2546
 k-point ** :   0.2222 0.4545 0.4286  plane waves:    2552
 k-point ** :   0.3333 0.4545 0.4286  plane waves:    2543
 k-point ** :   0.4444 0.4545 0.4286  plane waves:    2527

 maximum and minimum number of plane-waves per node :       666      616

 maximum number of plane-waves:      2554
 maximum index in each direction: 
   IXMAX=    7   IYMAX=    7   IZMAX=   10
   IXMIN=   -8   IYMIN=   -8   IZMIN=  -10

 NGX is ok and might be reduce to  32
 NGY is ok and might be reduce to  32
 WARNING: aliasing errors must be expected set NGZ to  42 to avoid them
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

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


 total amount of memory used by VASP on root node    46769. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       4987. kBytes
   fftplans  :        734. kBytes
   grid      :       1028. kBytes
   one-center:          6. kBytes
   wavefun   :      10014. kBytes
 
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 15   NGY = 15   NGZ = 21
  (NGX  = 32   NGY  = 32   NGZ  = 42)
  gives a total of   4725 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      20.0000000 magnetization       4.0000000
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          728 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.401
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 3

 FEWALD executed in parallel
    FEWALD:  cpu time    0.02: real time    0.02


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


    POTLOK:  cpu time    0.10: real time    0.10
    SETDIJ:  cpu time    1.00: real time    1.11
     EDDAV:  cpu time   64.81: real time   71.71
       DOS:  cpu time    0.01: real time    0.02
    --------------------------------------------
      LOOP:  cpu time   65.92: real time   72.93

 eigenvalue-minimisations  :  7680
 total energy-change (2. order) : 0.6829101E+02  (-0.8276681E+03)
 number of electron      20.0000000 magnetization       4.0000000
 augmentation part       20.0000000 magnetization       4.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -48.70767296
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.22372900
  PAW double counting   =       558.73750985     -526.03148450
  entropy T*S    EENTRO =        -0.00026996
  eigenvalues    EBANDS =        68.93950775
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =        68.29101273 eV

  energy without entropy =       68.29128269  energy(sigma->0) =       68.29114771


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




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


     EDDAV:  cpu time   78.08: real time   92.34
       DOS:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   78.15: real time   92.41

 eigenvalue-minimisations  :  9732
 total energy-change (2. order) :-0.8175972E+02  (-0.7790457E+02)
 number of electron      20.0000000 magnetization       4.0000000
 augmentation part       20.0000000 magnetization       4.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -48.70767296
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.22372900
  PAW double counting   =       558.73750985     -526.03148450
  entropy T*S    EENTRO =        -0.00021547
  eigenvalues    EBANDS =       -12.82026873
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -13.46870926 eV

  energy without entropy =      -13.46849379  energy(sigma->0) =      -13.46860152


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




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


     EDDAV:  cpu time   82.29: real time   93.03
       DOS:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   82.35: real time   93.09

 eigenvalue-minimisations  :  9564
 total energy-change (2. order) :-0.5312703E+01  (-0.5203442E+01)
 number of electron      20.0000000 magnetization       4.0000000
 augmentation part       20.0000000 magnetization       4.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -48.70767296
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.22372900
  PAW double counting   =       558.73750985     -526.03148450
  entropy T*S    EENTRO =        -0.00027961
  eigenvalues    EBANDS =       -18.13290801
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -18.78141268 eV

  energy without entropy =      -18.78113307  energy(sigma->0) =      -18.78127287


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




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


     EDDAV:  cpu time  118.21: real time  144.44
       DOS:  cpu time    0.03: real time    0.03
    --------------------------------------------
      LOOP:  cpu time  118.28: real time  144.51

 eigenvalue-minimisations  :  9284
 total energy-change (2. order) :-0.9258365E-01  (-0.9229938E-01)
 number of electron      20.0000000 magnetization       4.0000000
 augmentation part       20.0000000 magnetization       4.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -48.70767296
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.22372900
  PAW double counting   =       558.73750985     -526.03148450
  entropy T*S    EENTRO =        -0.00027144
  eigenvalues    EBANDS =       -18.22549983
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -18.87399633 eV

  energy without entropy =      -18.87372489  energy(sigma->0) =      -18.87386061


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




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


     EDDAV:  cpu time  101.98: real time  125.44
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    1.71: real time    1.90
    MIXING:  cpu time    0.08: real time    0.08
    --------------------------------------------
      LOOP:  cpu time  103.92: real time  127.59

 eigenvalue-minimisations  :  9576
 total energy-change (2. order) :-0.1827398E-02  (-0.1826752E-02)
 number of electron      19.9999999 magnetization       0.4895798
 augmentation part       -2.1849017 magnetization       0.2069207

 Broyden mixing:
  rms(total) = 0.85930E+00    rms(broyden)= 0.85930E+00
  rms(prec ) = 0.93188E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -48.70767296
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.22372900
  PAW double counting   =       558.73750985     -526.03148450
  entropy T*S    EENTRO =        -0.00027354
  eigenvalues    EBANDS =       -18.22732514
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -18.87582373 eV

  energy without entropy =      -18.87555019  energy(sigma->0) =      -18.87568696


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




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


    POTLOK:  cpu time    0.21: real time    0.28
    SETDIJ:  cpu time    0.82: real time    1.02
     EDDAV:  cpu time  108.41: real time  124.70
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    1.76: real time    1.79
    MIXING:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time  111.22: real time  127.82

 eigenvalue-minimisations  :  8480
 total energy-change (2. order) :-0.7442216E+00  (-0.4240142E-01)
 number of electron      19.9999999 magnetization      -0.0911751
 augmentation part       -2.1809394 magnetization      -0.1005185

 Broyden mixing:
  rms(total) = 0.41080E+00    rms(broyden)= 0.41079E+00
  rms(prec ) = 0.45822E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0310
  1.0310

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -49.52423752
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.02558158
  PAW double counting   =       837.84315409     -805.19051347
  entropy T*S    EENTRO =        -0.00009600
  eigenvalues    EBANDS =       -17.90362752
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.62004530 eV

  energy without entropy =      -19.61994930  energy(sigma->0) =      -19.61999730


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




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


    POTLOK:  cpu time    0.25: real time    0.26
    SETDIJ:  cpu time    0.88: real time    1.01
     EDDAV:  cpu time   94.02: real time  110.50
       DOS:  cpu time    0.26: real time    0.35
    CHARGE:  cpu time    1.70: real time    1.97
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   97.11: real time  114.08

 eigenvalue-minimisations  :  8240
 total energy-change (2. order) :-0.5009955E-01  (-0.2709185E-01)
 number of electron      19.9999999 magnetization      -0.0951932
 augmentation part       -2.1824287 magnetization      -0.0925881

 Broyden mixing:
  rms(total) = 0.19245E+00    rms(broyden)= 0.19245E+00
  rms(prec ) = 0.21128E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1599
  0.7834  1.5364

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.12767870
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.10448535
  PAW double counting   =      1101.40701485    -1068.75844919
  entropy T*S    EENTRO =        -0.00008208
  eigenvalues    EBANDS =       -17.42512864
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67014485 eV

  energy without entropy =      -19.67006278  energy(sigma->0) =      -19.67010382


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




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


    POTLOK:  cpu time    0.17: real time    0.19
    SETDIJ:  cpu time    1.04: real time    1.04
     EDDAV:  cpu time  114.00: real time  134.54
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    1.62: real time    1.62
    MIXING:  cpu time    0.03: real time    0.03
    --------------------------------------------
      LOOP:  cpu time  116.88: real time  137.44

 eigenvalue-minimisations  :  9008
 total energy-change (2. order) :-0.8273747E-03  (-0.3327602E-02)
 number of electron      19.9999999 magnetization      -0.0243117
 augmentation part       -2.1842484 magnetization      -0.0247768

 Broyden mixing:
  rms(total) = 0.80366E-01    rms(broyden)= 0.80366E-01
  rms(prec ) = 0.87420E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2355
  2.1383  0.9319  0.6362

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.43329029
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.16696384
  PAW double counting   =      1265.99925755    -1233.36200799
  entropy T*S    EENTRO =        -0.00009383
  eigenvalues    EBANDS =       -17.17149507
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67097223 eV

  energy without entropy =      -19.67087840  energy(sigma->0) =      -19.67092531


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




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


    POTLOK:  cpu time    0.28: real time    0.28
    SETDIJ:  cpu time    1.14: real time    1.14
     EDDAV:  cpu time   93.66: real time  106.27
       DOS:  cpu time    0.01: real time    0.02
    CHARGE:  cpu time    1.42: real time    1.55
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   96.51: real time  109.26

 eigenvalue-minimisations  :  8624
 total energy-change (2. order) :-0.7194189E-03  (-0.4489457E-03)
 number of electron      19.9999999 magnetization       0.0031690
 augmentation part       -2.1851443 magnetization       0.0041419

 Broyden mixing:
  rms(total) = 0.26033E-01    rms(broyden)= 0.26033E-01
  rms(prec ) = 0.31547E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2281
  2.3846  1.0482  0.8804  0.5989

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.50246516
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.18597732
  PAW double counting   =      1315.25404251    -1282.62062482
  entropy T*S    EENTRO =        -0.00009598
  eigenvalues    EBANDS =       -17.11821906
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67169165 eV

  energy without entropy =      -19.67159566  energy(sigma->0) =      -19.67164366


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




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


    POTLOK:  cpu time    0.18: real time    0.18
    SETDIJ:  cpu time    1.28: real time    1.28
     EDDAV:  cpu time  111.05: real time  135.09
       DOS:  cpu time    0.03: real time    0.03
    CHARGE:  cpu time    3.02: real time    3.96
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time  115.55: real time  140.54

 eigenvalue-minimisations  :  9036
 total energy-change (2. order) :-0.1987974E-03  (-0.1074870E-03)
 number of electron      19.9999999 magnetization       0.0011896
 augmentation part       -2.1856012 magnetization       0.0009910

 Broyden mixing:
  rms(total) = 0.11945E-01    rms(broyden)= 0.11945E-01
  rms(prec ) = 0.14049E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2179
  2.4444  1.2751  1.0102  0.7529  0.6068

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.52133030
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.19328743
  PAW double counting   =      1327.10436888    -1294.47073743
  entropy T*S    EENTRO =        -0.00009588
  eigenvalues    EBANDS =       -17.10707669
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67189044 eV

  energy without entropy =      -19.67179457  energy(sigma->0) =      -19.67184251


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




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


    POTLOK:  cpu time    0.56: real time    0.82
    SETDIJ:  cpu time    0.90: real time    1.09
     EDDAV:  cpu time   99.68: real time  112.89
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    1.97: real time    1.97
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time  103.13: real time  116.79

 eigenvalue-minimisations  :  8800
 total energy-change (2. order) :-0.6559279E-04  (-0.2565825E-04)
 number of electron      19.9999999 magnetization      -0.0009442
 augmentation part       -2.1855813 magnetization      -0.0010489

 Broyden mixing:
  rms(total) = 0.52129E-02    rms(broyden)= 0.52129E-02
  rms(prec ) = 0.59809E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2940
  2.3314  2.1203  1.1108  0.9335  0.6474  0.6205

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.53797758
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.19604017
  PAW double counting   =      1325.58446289    -1292.95087114
  entropy T*S    EENTRO =        -0.00009521
  eigenvalues    EBANDS =       -17.09320872
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67195604 eV

  energy without entropy =      -19.67186083  energy(sigma->0) =      -19.67190843


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




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


    POTLOK:  cpu time    0.87: real time    1.15
    SETDIJ:  cpu time    1.07: real time    1.24
     EDDAV:  cpu time  137.05: real time  166.63
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    3.65: real time    4.38
    MIXING:  cpu time    0.34: real time    0.52
    --------------------------------------------
      LOOP:  cpu time  143.07: real time  174.02

 eigenvalue-minimisations  :  8848
 total energy-change (2. order) :-0.9639392E-05  (-0.2589886E-05)
 number of electron      19.9999999 magnetization      -0.0001290
 augmentation part       -2.1854683 magnetization      -0.0000698

 Broyden mixing:
  rms(total) = 0.17121E-02    rms(broyden)= 0.17121E-02
  rms(prec ) = 0.22890E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2462
  2.3245  2.3245  1.1136  0.9487  0.6049  0.7318  0.6753

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.55084241
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.19684635
  PAW double counting   =      1321.93970223    -1289.30614037
  entropy T*S    EENTRO =        -0.00009508
  eigenvalues    EBANDS =       -17.08112994
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67196568 eV

  energy without entropy =      -19.67187060  energy(sigma->0) =      -19.67191814


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




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


    POTLOK:  cpu time    1.79: real time    2.21
    SETDIJ:  cpu time    1.15: real time    1.71
     EDDAV:  cpu time  103.66: real time  128.06
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    1.58: real time    1.75
    MIXING:  cpu time    0.41: real time    0.51
    --------------------------------------------
      LOOP:  cpu time  108.68: real time  134.33

 eigenvalue-minimisations  :  8472
 total energy-change (2. order) :-0.5869444E-05  (-0.8238408E-06)
 number of electron      19.9999999 magnetization       0.0002241
 augmentation part       -2.1854232 magnetization       0.0002062

 Broyden mixing:
  rms(total) = 0.79392E-03    rms(broyden)= 0.79392E-03
  rms(prec ) = 0.11237E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2599
  2.3419  2.3419  1.3794  1.1265  0.9359  0.7017  0.6130  0.6390

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.55956609
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.19758821
  PAW double counting   =      1320.68487285    -1288.05126038
  entropy T*S    EENTRO =        -0.00009509
  eigenvalues    EBANDS =       -17.07320459
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67197155 eV

  energy without entropy =      -19.67187646  energy(sigma->0) =      -19.67192400


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




----------------------------------------- Iteration    1(  14)  ---------------------------------------


    POTLOK:  cpu time    0.16: real time    0.24
    SETDIJ:  cpu time    0.63: real time    0.74
     EDDAV:  cpu time   95.88: real time  112.00
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    1.45: real time    1.69
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   98.14: real time  114.69

 eigenvalue-minimisations  :  8732
 total energy-change (2. order) :-0.2033352E-05  (-0.1816733E-06)
 number of electron      19.9999999 magnetization       0.0000587
 augmentation part       -2.1854059 magnetization       0.0000507

 Broyden mixing:
  rms(total) = 0.31665E-03    rms(broyden)= 0.31665E-03
  rms(prec ) = 0.46993E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3026
  2.4217  2.4217  1.9618  1.1407  0.9852  0.8658  0.6864  0.6201  0.6201

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.56550940
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.19821084
  PAW double counting   =      1320.34205035    -1287.70836759
  entropy T*S    EENTRO =        -0.00009512
  eigenvalues    EBANDS =       -17.06795620
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67197358 eV

  energy without entropy =      -19.67187846  energy(sigma->0) =      -19.67192602


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




----------------------------------------- Iteration    1(  15)  ---------------------------------------


    POTLOK:  cpu time    0.36: real time    0.39
    SETDIJ:  cpu time    0.87: real time    1.01
     EDDAV:  cpu time  103.49: real time  126.33
       DOS:  cpu time    0.01: real time    0.01
    CHARGE:  cpu time    1.27: real time    1.39
    MIXING:  cpu time    0.03: real time    0.04
    --------------------------------------------
      LOOP:  cpu time  106.04: real time  129.17

 eigenvalue-minimisations  :  7552
 total energy-change (2. order) :-0.4288880E-06  (-0.6234908E-07)
 number of electron      19.9999999 magnetization      -0.0000051
 augmentation part       -2.1854031 magnetization      -0.0000027

 Broyden mixing:
  rms(total) = 0.13391E-03    rms(broyden)= 0.13391E-03
  rms(prec ) = 0.17275E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3241
  2.7454  2.1857  2.1857  1.3745  1.1037  0.9596  0.7849  0.6642  0.6152  0.6222

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.56843845
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.19857850
  PAW double counting   =      1320.30361820    -1287.66986804
  entropy T*S    EENTRO =        -0.00009515
  eigenvalues    EBANDS =       -17.06546260
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67197401 eV

  energy without entropy =      -19.67187886  energy(sigma->0) =      -19.67192644


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




----------------------------------------- Iteration    1(  16)  ---------------------------------------


    POTLOK:  cpu time    0.10: real time    0.17
    SETDIJ:  cpu time    1.11: real time    1.34
     EDDAV:  cpu time   95.16: real time  115.62
       DOS:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time   96.38: real time  117.16

 eigenvalue-minimisations  :  5200
 total energy-change (2. order) :-0.2594766E-07  (-0.1081731E-07)
 number of electron      19.9999999 magnetization      -0.0000051
 augmentation part       -2.1854031 magnetization      -0.0000027

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        18.50792540
  Ewald energy   TEWEN  =      -719.54704428
  -1/2 Hartree   DENC   =       -50.56932336
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =        12.19868749
  PAW double counting   =      1320.25718332    -1287.62340356
  entropy T*S    EENTRO =        -0.00009515
  eigenvalues    EBANDS =       -17.06471632
  atomic energy  EATOM  =       704.16881243
  ---------------------------------------------------
  free energy    TOTEN  =       -19.67197403 eV

  energy without entropy =      -19.67187888  energy(sigma->0) =      -19.67192646


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




 average (electrostatic) potential at core
  the test charge radii are     0.9587
  (the norm of the test charge is              1.0000)
       1 -84.4492       2 -84.4492       3 -84.4492       4 -84.4492
 
 
 
 E-fermi :   4.6647     XC(G=0):  -9.4896     alpha+bet :-10.1900


 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7253      1.00000
      2      -5.5476      1.00000
      3      -4.6397      1.00000
      4       0.0016      1.00000
      5       0.0533      1.00000
      6       0.9565      1.00000
      7       0.9565      1.00000
      8       1.5402      1.00000
      9       3.9434      1.00000
     10       3.9434      1.00000
     11       5.8671      0.00000
     12       5.8671      0.00000
     13       7.6914      0.00000
     14       9.4664      0.00000
     15       9.4664      0.00000
     16      10.6165      0.00000

 k-point   2 :       0.1111    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6461      1.00000
      2      -5.6492      1.00000
      3      -4.5511      1.00000
      4      -0.2753      1.00000
      5      -0.2070      1.00000
      6       1.0491      1.00000
      7       1.2978      1.00000
      8       1.4066      1.00000
      9       4.0364      1.00000
     10       4.1477      1.00000
     11       5.5932      0.00000
     12       5.7325      0.00000
     13       8.0617      0.00000
     14       9.0469      0.00000
     15       9.2060      0.00000
     16      10.6831      0.00000

 k-point   3 :       0.2222    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.4122      1.00000
      2      -5.9518      1.00000
      3      -4.2877      1.00000
      4      -0.9431      1.00000
      5      -0.5013      1.00000
      6       1.0451      1.00000
      7       1.3252      1.00000
      8       1.8901      1.00000
      9       4.3144      1.00000
     10       4.6428      0.93927
     11       4.8984      0.00000
     12       5.3407      0.00000
     13       8.1359      0.00000
     14       8.5483      0.00000
     15       9.0901      0.00000
     16      10.0090      0.00000

 k-point   4 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.0371      1.00000
      2      -6.4235      1.00000
      3      -3.8565      1.00000
      4      -1.7536      1.00000
      5      -0.5520      1.00000
      6       0.5554      1.00000
      7       1.7793      1.00000
      8       2.5426      1.00000
      9       4.0286      1.00000
     10       4.7323      0.00000
     11       4.7740      0.00000
     12       5.2846      0.00000
     13       7.1337      0.00000
     14       7.7104      0.00000
     15       9.7696      0.00000
     16      10.4384      0.00000

 k-point   5 :       0.4444    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5466      1.00000
      2      -6.9853      1.00000
      3      -3.2711      1.00000
      4      -2.5559      1.00000
      5      -0.3441      1.00000
      6       0.0560      1.00000
      7       2.3999      1.00000
      8       3.1647      1.00000
      9       3.2509      1.00000
     10       4.0010      1.00000
     11       5.4082      0.00000
     12       6.0238      0.00000
     13       6.2038      0.00000
     14       6.8433      0.00000
     15       9.9634      0.00000
     16      10.4543      0.00000

 k-point   6 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1      -8.6722      1.00000
      2      -5.6156      1.00000
      3      -4.5804      1.00000
      4      -0.1878      1.00000
      5      -0.1404      1.00000
      6       1.0185      1.00000
      7       1.2032      1.00000
      8       1.4500      1.00000
      9       4.0057      1.00000
     10       4.0832      1.00000
     11       5.6810      0.00000
     12       5.7768      0.00000
     13       7.9409      0.00000
     14       9.1759      0.00000
     15       9.2893      0.00000
     16      10.6592      0.00000

 k-point   7 :       0.1111    0.0909    0.0000
  band No.  band energies     occupation 
      1      -8.5938      1.00000
      2      -5.7076      1.00000
      3      -4.4926      1.00000
      4      -0.4140      1.00000
      5      -0.2318      1.00000
      6       0.7036      1.00000
      7       1.3267      1.00000
      8       1.7890      1.00000
      9       3.7277      1.00000
     10       4.6204      0.99913
     11       5.1762      0.00000
     12       5.8647      0.00000
     13       8.2932      0.00000
     14       8.3930      0.00000
     15       9.5409      0.00000
     16      10.6034      0.00000

 k-point   8 :       0.2222    0.0909    0.0000
  band No.  band energies     occupation 
      1      -8.3629      1.00000
      2      -5.9856      1.00000
      3      -4.2315      1.00000
      4      -0.9996      1.00000
      5      -0.4474      1.00000
      6       0.7826      1.00000
      7       0.9880      1.00000
      8       2.5036      1.00000
      9       3.7505      1.00000
     10       4.3362      1.00000
     11       5.3155      0.00000
     12       5.6680      0.00000
     13       7.3555      0.00000
     14       9.2069      0.00000
     15       9.2839      0.00000
     16      10.1460      0.00000

 k-point   9 :       0.3333    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.9933      1.00000
      2      -6.4285      1.00000
      3      -3.8049      1.00000
      4      -1.7556      1.00000
      5      -0.5146      1.00000
      6       0.5212      1.00000
      7       1.1769      1.00000
      8       3.2170      1.00000
      9       3.4103      1.00000
     10       4.0750      1.00000
     11       5.2406      0.00000
     12       6.0611      0.00000
     13       6.3260      0.00000
     14       8.5008      0.00000
     15       9.6803      0.00000
     16      10.4879      0.00000

 k-point  10 :       0.4444    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.5124      1.00000
      2      -6.9669      1.00000
      3      -3.2281      1.00000
      4      -2.5286      1.00000
      5      -0.3344      1.00000
      6       0.0427      1.00000
      7       1.7749      1.00000
      8       2.5332      1.00000
      9       3.9337      1.00000
     10       4.6330      0.98735
     11       4.6409      0.95352
     12       5.4039      0.00000
     13       6.8485      0.00000
     14       7.6749      0.00000
     15       9.6986      0.00000
     16      10.1251      0.00000

 k-point  11 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -8.5145      1.00000
      2      -5.8194      1.00000
      3      -4.4034      1.00000
      4      -0.6725      1.00000
      5      -0.4169      1.00000
      6       1.1975      1.00000
      7       1.2038      1.00000
      8       1.6658      1.00000
      9       4.1921      1.00000
     10       4.4406      1.00000
     11       5.1840      0.00000
     12       5.5114      0.00000
     13       8.4923      0.00000
     14       8.6519      0.00000
     15       8.8190      0.00000
     16      10.2108      0.00000

 k-point  12 :       0.1111    0.1818    0.0000
  band No.  band energies     occupation 
      1      -8.4390      1.00000
      2      -5.8854      1.00000
      3      -4.3179      1.00000
      4      -0.7990      1.00000
      5      -0.3526      1.00000
      6       0.5814      1.00000
      7       1.0992      1.00000
      8       2.4110      1.00000
      9       3.5999      1.00000
     10       4.4970      1.00000
     11       5.2224      0.00000
     12       5.8105      0.00000
     13       7.5330      0.00000
     14       8.9624      0.00000
     15       9.5018      0.00000
     16      10.4796      0.00000

 k-point  13 :       0.2222    0.1818    0.0000
  band No.  band energies     occupation 
      1      -8.2172      1.00000
      2      -6.0945      1.00000
      3      -4.0643      1.00000
      4      -1.1841      1.00000
      5      -0.2936      1.00000
      6       0.1875      1.00000
      7       0.8160      1.00000
      8       3.2549      1.00000
      9       3.3181      1.00000
     10       3.5352      1.00000
     11       5.8424      0.00000
     12       6.1525      0.00000
     13       6.3935      0.00000
     14       9.7474      0.00000
     15       9.8627      0.00000
     16      10.4715      0.00000

 k-point  14 :       0.3333    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8654      1.00000
      2      -6.4527      1.00000
      3      -3.6528      1.00000
      4      -1.7777      1.00000
      5      -0.4230      1.00000
      6       0.4038      1.00000
      7       0.4740      1.00000
      8       2.5953      1.00000
      9       3.3232      1.00000
     10       4.1362      1.00000
     11       5.3375      0.00000
     12       5.6788      0.00000
     13       7.0525      0.00000
     14       9.3972      0.00000
     15       9.8123      0.00000
     16      10.2230      0.00000

 k-point  15 :       0.4444    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.4151      1.00000
      2      -6.9190      1.00000
      3      -3.1037      1.00000
      4      -2.4555      1.00000
      5      -0.3388      1.00000
      6      -0.0256      1.00000
      7       1.0328      1.00000
      8       1.7501      1.00000
      9       3.7447      1.00000
     10       4.4367      1.00000
     11       4.8314      0.00000
     12       5.3567      0.00000
     13       7.9108      0.00000
     14       8.7174      0.00000
     15       9.4665      0.00000
     16       9.6314      0.00000

 k-point  16 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.2580      1.00000
      2      -6.1492      1.00000
      3      -4.1119      1.00000
      4      -1.3051      1.00000
      5      -0.5584      1.00000
      6       0.8313      1.00000
      7       1.5101      1.00000
      8       2.1801      1.00000
      9       4.5011      1.00000
     10       4.5114      1.00000
     11       4.9209      0.00000
     12       5.0866      0.00000
     13       7.6781      0.00000
     14       8.1787      0.00000
     15       9.7102      0.00000
     16       9.8420      0.00000

 k-point  17 :       0.1111    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.1877      1.00000
      2      -6.1804      1.00000
      3      -4.0306      1.00000
      4      -1.3480      1.00000
      5      -0.4831      1.00000
      6       0.7615      1.00000
      7       0.7713      1.00000
      8       3.0232      1.00000
      9       3.7077      1.00000
     10       3.7341      1.00000
     11       5.5911      0.00000
     12       5.8527      0.00000
     13       6.6588      0.00000
     14       9.0983      0.00000
     15       9.9164      0.00000
     16       9.9663      0.00000

 k-point  18 :       0.2222    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.9828      1.00000
      2      -6.2923      1.00000
      3      -3.7912      1.00000
      4      -1.5141      1.00000
      5      -0.2739      1.00000
      6       0.0331      1.00000
      7       0.5396      1.00000
      8       2.7537      1.00000
      9       3.0364      1.00000
     10       4.0717      1.00000
     11       5.4800      0.00000
     12       5.8200      0.00000
     13       6.9672      0.00000
     14       9.8669      0.00000
     15      10.3250      0.00000
     16      10.4115      0.00000

 k-point  19 :       0.3333    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6639      1.00000
      2      -6.5195      1.00000
      3      -3.4086      1.00000
      4      -1.8627      1.00000
      5      -0.4259      1.00000
      6       0.1290      1.00000
      7       0.1747      1.00000
      8       1.9077      1.00000
      9       2.7965      1.00000
     10       4.4320      1.00000
     11       4.9303      0.00000
     12       5.7858      0.00000
     13       8.0019      0.00000
     14       9.7189      0.00000
     15      10.0271      0.00000
     16      10.2397      0.00000

 k-point  20 :       0.4444    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.2701      1.00000
      2      -6.8634      1.00000
      3      -2.9137      1.00000
      4      -2.3656      1.00000
      5      -0.4713      1.00000
      6      -0.2219      1.00000
      7       0.6119      1.00000
      8       1.2049      1.00000
      9       3.0081      1.00000
     10       3.5844      1.00000
     11       5.4727      0.00000
     12       5.6997      0.00000
     13       8.9069      0.00000
     14       9.4467      0.00000
     15       9.6293      0.00000
     16       9.7029      0.00000

 k-point  21 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9133      1.00000
      2      -6.5718      1.00000
      3      -3.7113      1.00000
      4      -1.9775      1.00000
      5      -0.5189      1.00000
      6       0.4153      1.00000
      7       1.9327      1.00000
      8       2.7302      1.00000
      9       3.7872      1.00000
     10       4.5402      1.00000
     11       4.9300      0.00000
     12       5.4773      0.00000
     13       6.8693      0.00000
     14       7.4725      0.00000
     15       9.7835      0.00000
     16      10.6475      0.00000

 k-point  22 :       0.1111    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8513      1.00000
      2      -6.5691      1.00000
      3      -3.6373      1.00000
      4      -1.9665      1.00000
      5      -0.4759      1.00000
      6       0.3717      1.00000
      7       1.1481      1.00000
      8       2.9760      1.00000
      9       3.6208      1.00000
     10       4.0173      1.00000
     11       5.2338      0.00000
     12       5.8377      0.00000
     13       6.4973      0.00000
     14       8.5018      0.00000
     15       9.6098      0.00000
     16      10.4281      0.00000

 k-point  23 :       0.2222    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6740      1.00000
      2      -6.5805      1.00000
      3      -3.4219      1.00000
      4      -1.9647      1.00000
      5      -0.4195      1.00000
      6       0.2009      1.00000
      7       0.3855      1.00000
      8       2.0399      1.00000
      9       3.1116      1.00000
     10       4.6615      0.59002
     11       4.7134      0.00029
     12       5.7179      0.00000
     13       7.7331      0.00000
     14       9.5959      0.00000
     15       9.8074      0.00000
     16       9.8280      0.00000

 k-point  24 :       0.3333    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.4084      1.00000
      2      -6.6544      1.00000
      3      -3.0889      1.00000
      4      -2.0553      1.00000
      5      -0.6056      1.00000
      6      -0.1469      1.00000
      7       0.2762      1.00000
      8       1.3794      1.00000
      9       2.5726      1.00000
     10       3.6562      1.00000
     11       5.4598      0.00000
     12       5.7561      0.00000
     13       8.8510      0.00000
     14       9.4801      0.00000
     15      10.2469      0.00000
     16      10.3681      0.00000

 k-point  25 :       0.4444    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.1047      1.00000
      2      -6.8327      1.00000
      3      -2.6884      1.00000
      4      -2.3084      1.00000
      5      -0.7246      1.00000
      6      -0.5352      1.00000
      7       0.5574      1.00000
      8       0.9299      1.00000
      9       2.5104      1.00000
     10       2.9061      1.00000
     11       5.7123      0.00000
     12       5.7247      0.00000
     13       9.7207      0.00000
     14       9.7381      0.00000
     15      10.2442      0.00000
     16      10.2648      0.00000

 k-point  26 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.4976      1.00000
      2      -7.0376      1.00000
      3      -3.2110      1.00000
      4      -2.6254      1.00000
      5      -0.3144      1.00000
      6       0.0140      1.00000
      7       2.4639      1.00000
      8       3.0901      1.00000
      9       3.3179      1.00000
     10       3.9323      1.00000
     11       5.4741      0.00000
     12       6.0952      0.00000
     13       6.1254      0.00000
     14       6.7661      0.00000
     15       9.9987      0.00000
     16      10.4045      0.00000

 k-point  27 :       0.1111    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.4487      1.00000
      2      -7.0080      1.00000
      3      -3.1486      1.00000
      4      -2.5822      1.00000
      5      -0.3052      1.00000
      6      -0.0047      1.00000
      7       1.6570      1.00000
      8       2.2735      1.00000
      9       4.2050      1.00000
     10       4.4929      1.00000
     11       4.7570      0.00000
     12       5.1073      0.00000
     13       7.1589      0.00000
     14       7.8349      0.00000
     15       9.6386      0.00000
     16       9.9576      0.00000

 k-point  28 :       0.2222    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.3135      1.00000
      2      -6.9349      1.00000
      3      -2.9729      1.00000
      4      -2.4722      1.00000
      5      -0.3578      1.00000
      6      -0.1263      1.00000
      7       0.8503      1.00000
      8       1.4043      1.00000
      9       3.4401      1.00000
     10       3.9705      1.00000
     11       5.2096      0.00000
     12       5.5360      0.00000
     13       8.4436      0.00000
     14       9.0826      0.00000
     15       9.4736      0.00000
     16       9.4860      0.00000

 k-point  29 :       0.3333    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.1289      1.00000
      2      -6.8645      1.00000
      3      -2.7232      1.00000
      4      -2.3581      1.00000
      5      -0.6340      1.00000
      6      -0.4569      1.00000
      7       0.5862      1.00000
      8       0.9554      1.00000
      9       2.6711      1.00000
     10       3.0521      1.00000
     11       5.6856      0.00000
     12       5.7328      0.00000
     13       9.5549      0.00000
     14       9.6172      0.00000
     15      10.0132      0.00000
     16      10.0537      0.00000

 k-point  30 :       0.4444    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.9556      1.00000
      2      -6.8592      1.00000
      3      -2.4770      1.00000
      4      -2.3387      1.00000
      5      -0.8687      1.00000
      6      -0.7961      1.00000
      7       0.6546      1.00000
      8       0.7808      1.00000
      9       2.3199      1.00000
     10       2.4632      1.00000
     11       5.6882      0.00000
     12       5.7080      0.00000
     13      10.2254      0.00000
     14      10.3035      0.00000
     15      10.5007      0.00000
     16      10.5188      0.00000

 k-point  31 :       0.0000    0.0000    0.1429
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -5.9585      1.00000
      3      -4.3260      1.00000
      4      -0.6436      1.00000
      5       0.4136      1.00000
      6       1.0433      1.00000
      7       1.0433      1.00000
      8       2.2700      1.00000
      9       3.6029      1.00000
     10       3.6029      1.00000
     11       6.1824      0.00000
     12       6.1824      0.00000
     13       7.7944      0.00000
     14       9.2600      0.00000
     15       9.2600      0.00000
     16       9.5643      0.00000

 k-point  32 :       0.1111    0.0000    0.1429
  band No.  band energies     occupation 
      1      -8.5564      1.00000
      2      -5.9810      1.00000
      3      -4.3361      1.00000
      4      -0.8819      1.00000
      5       0.1355      1.00000
      6       1.1355      1.00000
      7       1.4209      1.00000
      8       2.0951      1.00000
      9       3.6844      1.00000
     10       3.7918      1.00000
     11       5.8977      0.00000
     12       6.0479      0.00000
     13       8.1597      0.00000
     14       8.8377      0.00000
     15       8.9814      0.00000
     16       9.5646      0.00000

 k-point  33 :       0.2222    0.0000    0.1429
  band No.  band energies     occupation 
      1      -8.3251      1.00000
      2      -6.1128      1.00000
      3      -4.2942      1.00000
      4      -1.4784      1.00000
      5      -0.1179      1.00000
      6       1.4101      1.00000
      7       1.6754      1.00000
      8       2.0192      1.00000
      9       3.8985      1.00000
     10       4.2024      1.00000
     11       5.2287      0.00000
     12       5.6861      0.00000
     13       7.9236      0.00000
     14       8.2569      0.00000
     15       9.2170      0.00000
     16       9.5173      0.00000

 k-point  34 :       0.3333    0.0000    0.1429
  band No.  band energies     occupation 
      1      -7.9556      1.00000
      2      -6.4489      1.00000
      3      -4.0605      1.00000
      4      -2.2235      1.00000
      5      -0.1077      1.00000
      6       1.1417      1.00000
      7       1.8607      1.00000
      8       2.6640      1.00000
      9       3.8945      1.00000
     10       4.4923      1.00000
     11       4.7968      0.00000
     12       5.3693      0.00000
     13       6.9222      0.00000
     14       7.3983      0.00000
     15       9.5199      0.00000
     16      10.5612      0.00000

 k-point  35 :       0.4444    0.0000    0.1429
  band No.  band energies     occupation 
      1      -7.4774      1.00000
      2      -6.9443      1.00000
      3      -3.5990      1.00000
      4      -2.9627      1.00000
      5       0.1560      1.00000
      6       0.6020      1.00000
      7       2.4724      1.00000
      8       3.2078      1.00000
      9       3.3535      1.00000
     10       4.0508      1.00000
     11       5.2407      0.00000
     12       5.7805      0.00000
     13       6.0017      0.00000
     14       6.5364      0.00000
     15       9.7537      0.00000
     16      10.2010      0.00000

 k-point  36 :       0.0000    0.0909    0.1429
  band No.  band energies     occupation 
      1      -8.5823      1.00000
      2      -5.9722      1.00000
      3      -4.3342      1.00000
      4      -0.8058      1.00000
      5       0.2008      1.00000
      6       1.1050      1.00000
      7       1.3216      1.00000
      8       2.1498      1.00000
      9       3.6578      1.00000
     10       3.7337      1.00000
     11       5.9880      0.00000
     12       6.0916      0.00000
     13       8.0412      0.00000
     14       8.9675      0.00000
     15       9.0693      0.00000
     16       9.5661      0.00000

 k-point  37 :       0.1111    0.0909    0.1429
  band No.  band energies     occupation 
      1      -8.5047      1.00000
      2      -5.9971      1.00000
      3      -4.3300      1.00000
      4      -1.0048      1.00000
      5       0.1306      1.00000
      6       0.7926      1.00000
      7       1.8984      1.00000
      8       2.0038      1.00000
      9       3.3875      1.00000
     10       4.1869      1.00000
     11       5.5294      0.00000
     12       6.1857      0.00000
     13       8.1589      0.00000
     14       8.3905      0.00000
     15       9.3383      0.00000
     16       9.5771      0.00000

 k-point  38 :       0.2222    0.0909    0.1429
  band No.  band energies     occupation 
      1      -8.2763      1.00000
      2      -6.1284      1.00000
      3      -4.2604      1.00000
      4      -1.5312      1.00000
      5      -0.0654      1.00000
      6       0.8967      1.00000
      7       1.6149      1.00000
      8       2.6054      1.00000
      9       3.3976      1.00000
     10       4.2516      1.00000
     11       5.2734      0.00000
     12       5.9888      0.00000
     13       7.1121      0.00000
     14       8.9435      0.00000
     15       9.4228      0.00000
     16       9.5949      0.00000

 k-point  39 :       0.3333    0.0909    0.1429
  band No.  band energies     occupation 
      1      -7.9124      1.00000
      2      -6.4501      1.00000
      3      -4.0129      1.00000
      4      -2.2247      1.00000
      5      -0.0880      1.00000
      6       1.0984      1.00000
      7       1.3014      1.00000
      8       3.3014      1.00000
      9       3.4450      1.00000
     10       3.7315      1.00000
     11       5.4897      0.00000
     12       5.8895      0.00000
     13       6.0932      0.00000
     14       8.2278      0.00000
     15       9.5565      0.00000
     16      10.5607      0.00000

 k-point  40 :       0.4444    0.0909    0.1429
  band No.  band energies     occupation 
      1      -7.4438      1.00000
      2      -6.9259      1.00000
      3      -3.5550      1.00000
      4      -2.9343      1.00000
      5       0.1453      1.00000
      6       0.5724      1.00000
      7       1.8941      1.00000
      8       2.6337      1.00000
      9       3.9516      1.00000
     10       4.1266      1.00000
     11       5.0210      0.00000
     12       5.2418      0.00000
     13       6.5892      0.00000
     14       7.3945      0.00000
     15       9.6848      0.00000
     16      10.0815      0.00000

 k-point  41 :       0.0000    0.1818    0.1429
  band No.  band energies     occupation 
      1      -8.4262      1.00000
      2      -6.0443      1.00000
      3      -4.3250      1.00000
      4      -1.2339      1.00000
      5      -0.0529      1.00000
      6       1.2894      1.00000
      7       1.7952      1.00000
      8       1.8471      1.00000
      9       3.8118      1.00000
     10       4.0427      1.00000
     11       5.4918      0.00000
     12       5.8371      0.00000
     13       8.2808      0.00000
     14       8.5134      0.00000
     15       8.8049      0.00000
     16       9.5410      0.00000

 k-point  42 :       0.1111    0.1818    0.1429
  band No.  band energies     occupation 
      1      -8.3514      1.00000
      2      -6.0712      1.00000
      3      -4.2883      1.00000
      4      -1.3500      1.00000
      5       0.0256      1.00000
      6       0.6862      1.00000
      7       1.7427      1.00000
      8       2.5126      1.00000
      9       3.2572      1.00000
     10       4.3316      1.00000
     11       5.2746      0.00000
     12       6.1359      0.00000
     13       7.2900      0.00000
     14       9.0261      0.00000
     15       9.3252      0.00000
     16       9.6168      0.00000

 k-point  43 :       0.2222    0.1818    0.1429
  band No.  band energies     occupation 
      1      -8.1323      1.00000
      2      -6.1901      1.00000
      3      -4.1542      1.00000
      4      -1.7013      1.00000
      5       0.0855      1.00000
      6       0.3262      1.00000
      7       1.4236      1.00000
      8       2.9140      1.00000
      9       3.3953      1.00000
     10       3.6013      1.00000
     11       5.9637      0.00000
     12       6.1613      0.00000
     13       6.1901      0.00000
     14       9.5021      0.00000
     15       9.7684      0.00000
     16       9.9980      0.00000

 k-point  44 :       0.3333    0.1818    0.1429
  band No.  band energies     occupation 
      1      -7.7864      1.00000
      2      -6.4632      1.00000
      3      -3.8733      1.00000
      4      -2.2425      1.00000
      5      -0.0911      1.00000
      6       0.7040      1.00000
      7       0.9419      1.00000
      8       2.7262      1.00000
      9       2.9766      1.00000
     10       4.1110      1.00000
     11       5.2117      0.00000
     12       6.0017      0.00000
     13       6.8203      0.00000
     14       9.1381      0.00000
     15       9.7593      0.00000
     16      10.2976      0.00000

 k-point  45 :       0.4444    0.1818    0.1429
  band No.  band energies     occupation 
      1      -7.3483      1.00000
      2      -6.8779      1.00000
      3      -3.4281      1.00000
      4      -2.8574      1.00000
      5       0.0473      1.00000
      6       0.4340      1.00000
      7       1.2532      1.00000
      8       1.9344      1.00000
      9       3.3719      1.00000
     10       3.9774      1.00000
     11       5.1644      0.00000
     12       5.6513      0.00000
     13       7.6473      0.00000
     14       8.4404      0.00000
     15       9.6059      0.00000
     16       9.8020      0.00000

 k-point  46 :       0.0000    0.2727    0.1429
  band No.  band energies     occupation 
      1      -8.1730      1.00000
      2      -6.2391      1.00000
      3      -4.2173      1.00000
      4      -1.8096      1.00000
      5      -0.1477      1.00000
      6       1.4404      1.00000
      7       1.5937      1.00000
      8       2.3068      1.00000
      9       3.9825      1.00000
     10       4.3893      1.00000
     11       4.9309      0.00000
     12       5.4940      0.00000
     13       7.4655      0.00000
     14       7.8767      0.00000
     15       9.4970      0.00000
     16       9.8426      0.00000

 k-point  47 :       0.1111    0.2727    0.1429
  band No.  band energies     occupation 
      1      -8.1034      1.00000
      2      -6.2559      1.00000
      3      -4.1536      1.00000
      4      -1.8498      1.00000
      5      -0.0901      1.00000
      6       0.9035      1.00000
      7       1.3621      1.00000
      8       3.1125      1.00000
      9       3.3460      1.00000
     10       3.7873      1.00000
     11       5.6399      0.00000
     12       5.9345      0.00000
     13       6.4192      0.00000
     14       8.8401      0.00000
     15       9.6186      0.00000
     16      10.1025      0.00000

 k-point  48 :       0.2222    0.2727    0.1429
  band No.  band energies     occupation 
      1      -7.9014      1.00000
      2      -6.3303      1.00000
      3      -3.9637      1.00000
      4      -2.0018      1.00000
      5      -0.0558      1.00000
      6       0.3591      1.00000
      7       1.0949      1.00000
      8       2.6945      1.00000
      9       2.8836      1.00000
     10       4.0711      1.00000
     11       5.3278      0.00000
     12       6.1795      0.00000
     13       6.7417      0.00000
     14       9.6339      0.00000
     15       9.9310      0.00000
     16      10.4320      0.00000

 k-point  49 :       0.3333    0.2727    0.1429
  band No.  band energies     occupation 
      1      -7.5885      1.00000
      2      -6.5129      1.00000
      3      -3.6519      1.00000
      4      -2.3140      1.00000
      5      -0.3001      1.00000
      6       0.5724      1.00000
      7       0.6203      1.00000
      8       2.1378      1.00000
      9       2.4536      1.00000
     10       3.9795      1.00000
     11       5.2580      0.00000
     12       6.1671      0.00000
     13       7.7567      0.00000
     14       9.7651      0.00000
     15       9.9166      0.00000
     16      10.1411      0.00000

 k-point  50 :       0.4444    0.2727    0.1429
  band No.  band energies     occupation 
      1      -7.2064      1.00000
      2      -6.8213      1.00000
      3      -3.2345      1.00000
      4      -2.7584      1.00000
      5      -0.2618      1.00000
      6       0.0939      1.00000
      7       1.0066      1.00000
      8       1.5321      1.00000
      9       2.6574      1.00000
     10       3.2128      1.00000
     11       5.7811      0.00000
     12       6.0560      0.00000
     13       8.6488      0.00000
     14       9.3349      0.00000
     15       9.6803      0.00000
     16       9.8295      0.00000

 k-point  51 :       0.0000    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.8343      1.00000
      2      -6.5733      1.00000
      3      -3.9556      1.00000
      4      -2.4305      1.00000
      5      -0.0585      1.00000
      6       0.9907      1.00000
      7       2.0124      1.00000
      8       2.8478      1.00000
      9       3.7427      1.00000
     10       4.4397      1.00000
     11       4.8586      0.00000
     12       5.4094      0.00000
     13       6.6592      0.00000
     14       7.1582      0.00000
     15       9.5585      0.00000
     16      10.5685      0.00000

 k-point  52 :       0.1111    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.7732      1.00000
      2      -6.5675      1.00000
      3      -3.8842      1.00000
      4      -2.4184      1.00000
      5      -0.0466      1.00000
      6       0.9295      1.00000
      7       1.2873      1.00000
      8       3.0619      1.00000
      9       3.6467      1.00000
     10       3.6805      1.00000
     11       5.5115      0.00000
     12       5.6268      0.00000
     13       6.2739      0.00000
     14       8.2274      0.00000
     15       9.5748      0.00000
     16      10.4066      0.00000

 k-point  53 :       0.2222    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.5988      1.00000
      2      -6.5694      1.00000
      3      -3.6784      1.00000
      4      -2.4096      1.00000
      5      -0.1665      1.00000
      6       0.6771      1.00000
      7       0.7085      1.00000
      8       2.2316      1.00000
      9       2.7641      1.00000
     10       4.1370      1.00000
     11       5.1026      0.00000
     12       6.0630      0.00000
     13       7.4868      0.00000
     14       9.3298      0.00000
     15       9.8520      0.00000
     16       9.9805      0.00000

 k-point  54 :       0.3333    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.3391      1.00000
      2      -6.6278      1.00000
      3      -3.3673      1.00000
      4      -2.4770      1.00000
      5      -0.5093      1.00000
      6       0.1738      1.00000
      7       0.7613      1.00000
      8       1.7207      1.00000
      9       2.2294      1.00000
     10       3.2804      1.00000
     11       5.7672      0.00000
     12       6.1602      0.00000
     13       8.6019      0.00000
     14       9.6563      0.00000
     15      10.0259      0.00000
     16      10.3859      0.00000

 k-point  55 :       0.4444    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.0454      1.00000
      2      -6.7884      1.00000
      3      -3.0077      1.00000
      4      -2.6832      1.00000
      5      -0.6121      1.00000
      6      -0.3457      1.00000
      7       1.0438      1.00000
      8       1.3730      1.00000
      9       2.1657      1.00000
     10       2.5535      1.00000
     11       6.0840      0.00000
     12       6.1353      0.00000
     13       9.4913      0.00000
     14       9.8355      0.00000
     15      10.0518      0.00000
     16      10.3388      0.00000

 k-point  56 :       0.0000    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.4301      1.00000
      2      -6.9930      1.00000
      3      -3.5474      1.00000
      4      -3.0260      1.00000
      5       0.1903      1.00000
      6       0.5562      1.00000
      7       2.5350      1.00000
      8       3.1380      1.00000
      9       3.4178      1.00000
     10       3.9903      1.00000
     11       5.3012      0.00000
     12       5.8417      0.00000
     13       5.9249      0.00000
     14       6.4617      0.00000
     15       9.7869      0.00000
     16      10.1543      0.00000

 k-point  57 :       0.1111    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.3820      1.00000
      2      -6.9635      1.00000
      3      -3.4834      1.00000
      4      -2.9812      1.00000
      5       0.1673      1.00000
      6       0.5109      1.00000
      7       1.7902      1.00000
      8       2.3909      1.00000
      9       4.0273      1.00000
     10       4.1311      1.00000
     11       5.0383      0.00000
     12       5.0993      0.00000
     13       6.8946      0.00000
     14       7.5561      0.00000
     15       9.6797      0.00000
     16       9.9824      0.00000

 k-point  58 :       0.2222    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.2495      1.00000
      2      -6.8905      1.00000
      3      -3.3033      1.00000
      4      -2.8646      1.00000
      5      -0.0413      1.00000
      6       0.2662      1.00000
      7       1.1439      1.00000
      8       1.6533      1.00000
      9       3.0785      1.00000
     10       3.5772      1.00000
     11       5.5044      0.00000
     12       5.8499      0.00000
     13       8.1795      0.00000
     14       8.8045      0.00000
     15       9.6418      0.00000
     16       9.6818      0.00000

 k-point  59 :       0.3333    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.0693      1.00000
      2      -6.8193      1.00000
      3      -3.0479      1.00000
      4      -2.7345      1.00000
      5      -0.4944      1.00000
      6      -0.2425      1.00000
      7       1.0500      1.00000
      8       1.3746      1.00000
      9       2.3247      1.00000
     10       2.6967      1.00000
     11       6.0412      0.00000
     12       6.1267      0.00000
     13       9.3034      0.00000
     14       9.7037      0.00000
     15       9.8780      0.00000
     16      10.1174      0.00000

 k-point  60 :       0.4444    0.4545    0.1429
  band No.  band energies     occupation 
      1      -6.9018      1.00000
      2      -6.8108      1.00000
      3      -2.8037      1.00000
      4      -2.6872      1.00000
      5      -0.7758      1.00000
      6      -0.6764      1.00000
      7       1.1618      1.00000
      8       1.2761      1.00000
      9       1.9755      1.00000
     10       2.1174      1.00000
     11       6.1174      0.00000
     12       6.1248      0.00000
     13      10.0696      0.00000
     14      10.2765      0.00000
     15      10.3225      0.00000
     16      10.6990      0.00000

 k-point  61 :       0.0000    0.0000    0.2857
  band No.  band energies     occupation 
      1      -8.3668      1.00000
      2      -6.6598      1.00000
      3      -3.8085      1.00000
      4      -1.6014      1.00000
      5       1.3009      1.00000
      6       1.3009      1.00000
      7       1.3659      1.00000
      8       2.9443      1.00000
      9       2.9443      1.00000
     10       3.3408      1.00000
     11       6.7920      0.00000
     12       6.7920      0.00000
     13       8.0079      0.00000
     14       8.1015      0.00000
     15       8.7495      0.00000
     16       8.7495      0.00000

 k-point  62 :       0.1111    0.0000    0.2857
  band No.  band energies     occupation 
      1      -8.2907      1.00000
      2      -6.6248      1.00000
      3      -3.9116      1.00000
      4      -1.8129      1.00000
      5       0.9324      1.00000
      6       1.3917      1.00000
      7       1.8653      1.00000
      8       2.9026      1.00000
      9       3.0245      1.00000
     10       3.3844      1.00000
     11       6.4599      0.00000
     12       6.6099      0.00000
     13       8.0198      0.00000
     14       8.3265      0.00000
     15       8.3317      0.00000
     16       8.5484      0.00000

 k-point  63 :       0.2222    0.0000    0.2857
  band No.  band energies     occupation 
      1      -8.0682      1.00000
      2      -6.5595      1.00000
      3      -4.1503      1.00000
      4      -2.3504      1.00000
      5       0.7706      1.00000
      6       1.6616      1.00000
      7       2.4394      1.00000
      8       2.6565      1.00000
      9       3.2473      1.00000
     10       3.5997      1.00000
     11       5.7061      0.00000
     12       6.1767      0.00000
     13       7.4137      0.00000
     14       7.6115      0.00000
     15       8.0370      0.00000
     16       9.5183      0.00000

 k-point  64 :       0.3333    0.0000    0.2857
  band No.  band energies     occupation 
      1      -7.7188      1.00000
      2      -6.5950      1.00000
      3      -4.3051      1.00000
      4      -3.0246      1.00000
      5       0.8780      1.00000
      6       2.1003      1.00000
      7       2.2080      1.00000
      8       3.0356      1.00000
      9       3.4923      1.00000
     10       3.9324      1.00000
     11       4.9765      0.00000
     12       5.6674      0.00000
     13       6.4228      0.00000
     14       6.7264      0.00000
     15       8.1420      0.00000
     16       9.3249      0.00000

 k-point  65 :       0.4444    0.0000    0.2857
  band No.  band energies     occupation 
      1      -7.2863      1.00000
      2      -6.8616      1.00000
      3      -4.1427      1.00000
      4      -3.6694      1.00000
      5       1.2088      1.00000
      6       1.6847      1.00000
      7       2.6789      1.00000
      8       3.2874      1.00000
      9       3.6311      1.00000
     10       4.0497      1.00000
     11       4.9143      0.00000
     12       5.4583      0.00000
     13       5.5381      0.00000
     14       5.9272      0.00000
     15       8.4175      0.00000
     16       8.8389      0.00000

 k-point  66 :       0.0000    0.0909    0.2857
  band No.  band energies     occupation 
      1      -8.3158      1.00000
      2      -6.6357      1.00000
      3      -3.8788      1.00000
      4      -1.7451      1.00000
      5       0.9897      1.00000
      6       1.3618      1.00000
      7       1.7642      1.00000
      8       2.9207      1.00000
      9       2.9983      1.00000
     10       3.3665      1.00000
     11       6.5639      0.00000
     12       6.6670      0.00000
     13       8.0172      0.00000
     14       8.3140      0.00000
     15       8.4563      0.00000
     16       8.5514      0.00000

 k-point  67 :       0.1111    0.0909    0.2857
  band No.  band energies     occupation 
      1      -8.2407      1.00000
      2      -6.6030      1.00000
      3      -3.9614      1.00000
      4      -1.9232      1.00000
      5       0.9864      1.00000
      6       1.0851      1.00000
      7       2.2596      1.00000
      8       2.7174      1.00000
      9       2.9881      1.00000
     10       3.6145      1.00000
     11       6.0160      0.00000
     12       6.8139      0.00000
     13       7.6005      0.00000
     14       8.0225      0.00000
     15       8.6234      0.00000
     16       8.8934      0.00000

 k-point  68 :       0.2222    0.0909    0.2857
  band No.  band energies     occupation 
      1      -8.0212      1.00000
      2      -6.5440      1.00000
      3      -4.1544      1.00000
      4      -2.3977      1.00000
      5       0.7387      1.00000
      6       1.3296      1.00000
      7       2.5410      1.00000
      8       2.8484      1.00000
      9       2.9204      1.00000
     10       3.8982      1.00000
     11       5.4174      0.00000
     12       6.5545      0.00000
     13       6.5674      0.00000
     14       8.0691      0.00000
     15       8.3773      0.00000
     16       9.6719      0.00000

 k-point  69 :       0.3333    0.0909    0.2857
  band No.  band energies     occupation 
      1      -7.6777      1.00000
      2      -6.5836      1.00000
      3      -4.2706      1.00000
      4      -3.0226      1.00000
      5       0.7870      1.00000
      6       1.7387      1.00000
      7       2.1213      1.00000
      8       3.0266      1.00000
      9       3.5327      1.00000
     10       3.6295      1.00000
     11       5.4137      0.00000
     12       5.5985      0.00000
     13       6.0894      0.00000
     14       7.6074      0.00000
     15       8.1943      0.00000
     16       9.3119      0.00000

 k-point  70 :       0.4444    0.0909    0.2857
  band No.  band energies     occupation 
      1      -7.2548      1.00000
      2      -6.8425      1.00000
      3      -4.0983      1.00000
      4      -3.6379      1.00000
      5       1.0980      1.00000
      6       1.5821      1.00000
      7       2.2881      1.00000
      8       2.9313      1.00000
      9       3.5054      1.00000
     10       3.8479      1.00000
     11       5.0804      0.00000
     12       5.3900      0.00000
     13       6.0680      0.00000
     14       6.7827      0.00000
     15       8.4606      0.00000
     16       8.8596      0.00000

 k-point  71 :       0.0000    0.1818    0.2857
  band No.  band energies     occupation 
      1      -8.1652      1.00000
      2      -6.5805      1.00000
      3      -4.0587      1.00000
      4      -2.1291      1.00000
      5       0.7978      1.00000
      6       1.5432      1.00000
      7       2.2278      1.00000
      8       2.7748      1.00000
      9       3.1531      1.00000
     10       3.4998      1.00000
     11       6.0021      0.00000
     12       6.3525      0.00000
     13       7.7698      0.00000
     14       7.9174      0.00000
     15       8.0276      0.00000
     16       9.0856      0.00000

 k-point  72 :       0.1111    0.1818    0.2857
  band No.  band energies     occupation 
      1      -8.0931      1.00000
      2      -6.5545      1.00000
      3      -4.0905      1.00000
      4      -2.2338      1.00000
      5       0.7796      1.00000
      6       1.1529      1.00000
      7       2.5450      1.00000
      8       2.8261      1.00000
      9       2.8287      1.00000
     10       3.8946      1.00000
     11       5.5177      0.00000
     12       6.7296      0.00000
     13       6.7638      0.00000
     14       8.0557      0.00000
     15       8.7041      0.00000
     16       9.4087      0.00000

 k-point  73 :       0.2222    0.1818    0.2857
  band No.  band energies     occupation 
      1      -7.8833      1.00000
      2      -6.5120      1.00000
      3      -4.1631      1.00000
      4      -2.5489      1.00000
      5       0.4990      1.00000
      6       1.2044      1.00000
      7       2.2190      1.00000
      8       2.4730      1.00000
      9       3.6029      1.00000
     10       3.7137      1.00000
     11       5.6455      0.00000
     12       5.6701      0.00000
     13       6.8797      0.00000
     14       8.1600      0.00000
     15       8.9661      0.00000
     16       9.5332      0.00000

 k-point  74 :       0.3333    0.1818    0.2857
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.5589      1.00000
      3      -4.1714      1.00000
      4      -3.0287      1.00000
      5       0.4201      1.00000
      6       1.5407      1.00000
      7       1.8166      1.00000
      8       2.3278      1.00000
      9       3.1264      1.00000
     10       3.8683      1.00000
     11       5.1714      0.00000
     12       6.2743      0.00000
     13       6.6761      0.00000
     14       8.3429      0.00000
     15       8.5080      0.00000
     16       9.2734      0.00000

 k-point  75 :       0.4444    0.1818    0.2857
  band No.  band energies     occupation 
      1      -7.1653      1.00000
      2      -6.7921      1.00000
      3      -3.9704      1.00000
      4      -3.5511      1.00000
      5       0.6767      1.00000
      6       1.1890      1.00000
      7       2.0005      1.00000
      8       2.5301      1.00000
      9       2.6935      1.00000
     10       3.2885      1.00000
     11       5.6094      0.00000
     12       6.1794      0.00000
     13       7.0581      0.00000
     14       7.7977      0.00000
     15       8.5953      0.00000
     16       8.9289      0.00000

 k-point  76 :       0.0000    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.9232      1.00000
      2      -6.5524      1.00000
      3      -4.2484      1.00000
      4      -2.6509      1.00000
      5       0.7876      1.00000
      6       1.8411      1.00000
      7       2.4706      1.00000
      8       2.7078      1.00000
      9       3.3734      1.00000
     10       3.7477      1.00000
     11       5.3403      0.00000
     12       5.9416      0.00000
     13       6.9587      0.00000
     14       7.2096      0.00000
     15       8.0662      0.00000
     16       9.5774      0.00000

 k-point  77 :       0.1111    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.8566      1.00000
      2      -6.5343      1.00000
      3      -4.2243      1.00000
      4      -2.6849      1.00000
      5       0.6789      1.00000
      6       1.4226      1.00000
      7       2.3344      1.00000
      8       2.7539      1.00000
      9       3.3714      1.00000
     10       3.7986      1.00000
     11       5.4111      0.00000
     12       5.8929      0.00000
     13       6.4857      0.00000
     14       8.1336      0.00000
     15       8.2419      0.00000
     16       9.5229      0.00000

 k-point  78 :       0.2222    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.6645      1.00000
      2      -6.5076      1.00000
      3      -4.1532      1.00000
      4      -2.8135      1.00000
      5       0.2565      1.00000
      6       1.3787      1.00000
      7       1.9507      1.00000
      8       2.0721      1.00000
      9       3.2580      1.00000
     10       3.9151      1.00000
     11       5.1969      0.00000
     12       6.2586      0.00000
     13       6.9155      0.00000
     14       8.3085      0.00000
     15       9.0574      0.00000
     16       9.3415      0.00000

 k-point  79 :       0.3333    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.3731      1.00000
      2      -6.5490      1.00000
      3      -4.0187      1.00000
      4      -3.0749      1.00000
      5      -0.0065      1.00000
      6       1.2892      1.00000
      7       1.6369      1.00000
      8       1.7638      1.00000
      9       2.8263      1.00000
     10       3.2805      1.00000
     11       5.7138      0.00000
     12       6.9443      0.00000
     13       7.1933      0.00000
     14       8.5561      0.00000
     15       9.0256      0.00000
     16       9.3074      0.00000

 k-point  80 :       0.4444    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.0341      1.00000
      2      -6.7300      1.00000
      3      -3.7780      1.00000
      4      -3.4333      1.00000
      5       0.1139      1.00000
      6       0.5834      1.00000
      7       1.9435      1.00000
      8       1.9937      1.00000
      9       2.4409      1.00000
     10       2.5226      1.00000
     11       6.3516      0.00000
     12       6.7588      0.00000
     13       7.9944      0.00000
     14       8.5980      0.00000
     15       8.8322      0.00000
     16       9.1180      0.00000

 k-point  81 :       0.0000    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.6064      1.00000
      2      -6.6437      1.00000
      3      -4.2971      1.00000
      4      -3.2095      1.00000
      5       0.9490      1.00000
      6       2.0671      1.00000
      7       2.2463      1.00000
      8       3.2007      1.00000
      9       3.5060      1.00000
     10       4.0100      1.00000
     11       4.8643      0.00000
     12       5.5537      0.00000
     13       6.1658      0.00000
     14       6.4927      0.00000
     15       8.1996      0.00000
     16       9.1918      0.00000

 k-point  82 :       0.1111    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.5485      1.00000
      2      -6.6259      1.00000
      3      -4.2373      1.00000
      4      -3.1925      1.00000
      5       0.7884      1.00000
      6       1.7906      1.00000
      7       1.9275      1.00000
      8       2.9627      1.00000
      9       3.3368      1.00000
     10       3.7876      1.00000
     11       5.2450      0.00000
     12       5.7026      0.00000
     13       6.1116      0.00000
     14       7.6023      0.00000
     15       8.2771      0.00000
     16       9.1881      0.00000

 k-point  83 :       0.2222    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.3845      1.00000
      2      -6.5912      1.00000
      3      -4.0691      1.00000
      4      -3.1657      1.00000
      5       0.2381      1.00000
      6       1.4153      1.00000
      7       1.6672      1.00000
      8       2.0857      1.00000
      9       2.8346      1.00000
     10       3.4705      1.00000
     11       5.5093      0.00000
     12       6.7102      0.00000
     13       6.9626      0.00000
     14       8.4981      0.00000
     15       8.6611      0.00000
     16       9.1983      0.00000

 k-point  84 :       0.3333    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.1457      1.00000
      2      -6.5918      1.00000
      3      -3.8261      1.00000
      4      -3.1927      1.00000
      5      -0.2322      1.00000
      6       0.6638      1.00000
      7       1.5315      1.00000
      8       1.8398      1.00000
      9       2.5818      1.00000
     10       2.6114      1.00000
     11       6.3310      0.00000
     12       7.0090      0.00000
     13       7.9579      0.00000
     14       8.8063      0.00000
     15       8.9895      0.00000
     16       9.4729      0.00000

 k-point  85 :       0.4444    0.3636    0.2857
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -6.6866      1.00000
      3      -3.5594      1.00000
      4      -3.3285      1.00000
      5      -0.3203      1.00000
      6       0.0126      1.00000
      7       1.4604      1.00000
      8       1.8092      1.00000
      9       2.1657      1.00000
     10       2.4014      1.00000
     11       6.8256      0.00000
     12       6.9979      0.00000
     13       8.6744      0.00000
     14       8.9512      0.00000
     15       9.1758      0.00000
     16       9.5100      0.00000

 k-point  86 :       0.0000    0.4545    0.2857
  band No.  band energies     occupation 
      1      -7.2455      1.00000
      2      -6.8961      1.00000
      3      -4.1106      1.00000
      4      -3.7217      1.00000
      5       1.2473      1.00000
      6       1.6378      1.00000
      7       2.7361      1.00000
      8       3.2389      1.00000
      9       3.6817      1.00000
     10       4.0308      1.00000
     11       4.9521      0.00000
     12       5.4672      0.00000
     13       5.4753      0.00000
     14       5.8654      0.00000
     15       8.4508      0.00000
     16       8.7965      0.00000

 k-point  87 :       0.1111    0.4545    0.2857
  band No.  band energies     occupation 
      1      -7.2003      1.00000
      2      -6.8664      1.00000
      3      -4.0452      1.00000
      4      -3.6723      1.00000
      5       1.0717      1.00000
      6       1.4742      1.00000
      7       2.2448      1.00000
      8       2.7630      1.00000
      9       3.3667      1.00000
     10       3.7648      1.00000
     11       5.1381      0.00000
     12       5.5165      0.00000
     13       6.3399      0.00000
     14       6.9421      0.00000
     15       8.5131      0.00000
     16       8.8313      0.00000

 k-point  88 :       0.2222    0.4545    0.2857
  band No.  band energies     occupation 
      1      -7.0766      1.00000
      2      -6.7918      1.00000
      3      -3.8617      1.00000
      4      -3.5407      1.00000
      5       0.4588      1.00000
      6       0.8740      1.00000
      7       2.0197      1.00000
      8       2.3236      1.00000
      9       2.4811      1.00000
     10       2.8761      1.00000
     11       6.0112      0.00000
     12       6.4392      0.00000
     13       7.5590      0.00000
     14       8.1370      0.00000
     15       8.7132      0.00000
     16       8.9595      0.00000

 k-point  89 :       0.3333    0.4545    0.2857
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -6.7147      1.00000
      3      -3.6065      1.00000
      4      -3.3821      1.00000
      5      -0.1798      1.00000
      6       0.1389      1.00000
      7       1.6148      1.00000
      8       1.9259      1.00000
      9       2.1786      1.00000
     10       2.3861      1.00000
     11       6.7393      0.00000
     12       6.9369      0.00000
     13       8.5419      0.00000
     14       8.8521      0.00000
     15       9.0796      0.00000
     16       9.3539      0.00000

 k-point  90 :       0.4444    0.4545    0.2857
  band No.  band energies     occupation 
      1      -6.7640      1.00000
      2      -6.6928      1.00000
      3      -3.3770      1.00000
      4      -3.2952      1.00000
      5      -0.5001      1.00000
      6      -0.3785      1.00000
      7       1.2733      1.00000
      8       1.4061      1.00000
      9       2.2646      1.00000
     10       2.3530      1.00000
     11       7.0030      0.00000
     12       7.0395      0.00000
     13       8.9856      0.00000
     14       9.0623      0.00000
     15       9.5562      0.00000
     16       9.7071      0.00000

 k-point  91 :       0.0000    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.9308      1.00000
      2      -7.3478      1.00000
      3      -3.2011      1.00000
      4      -2.4689      1.00000
      5       1.7203      1.00000
      6       1.7203      1.00000
      7       2.2819      1.00000
      8       2.2819      1.00000
      9       2.6200      1.00000
     10       3.6178      1.00000
     11       7.4486      0.00000
     12       7.4486      0.00000
     13       7.4486      0.00000
     14       8.1120      0.00000
     15       8.1120      0.00000
     16       8.4804      0.00000

 k-point  92 :       0.1111    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.8600      1.00000
      2      -7.2882      1.00000
      3      -3.3577      1.00000
      4      -2.6573      1.00000
      5       1.6791      1.00000
      6       1.8087      1.00000
      7       2.3320      1.00000
      8       2.3666      1.00000
      9       2.8047      1.00000
     10       3.6590      1.00000
     11       6.9992      0.00000
     12       7.0678      0.00000
     13       7.5839      0.00000
     14       7.6580      0.00000
     15       7.7008      0.00000
     16       8.5168      0.00000

 k-point  93 :       0.2222    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.6569      1.00000
      2      -7.1272      1.00000
      3      -3.7541      1.00000
      4      -3.1387      1.00000
      5       1.7120      1.00000
      6       2.0693      1.00000
      7       2.4838      1.00000
      8       2.6116      1.00000
      9       3.1853      1.00000
     10       3.7087      1.00000
     11       6.2282      0.00000
     12       6.4391      0.00000
     13       6.8095      0.00000
     14       6.8657      0.00000
     15       7.4079      0.00000
     16       8.2987      0.00000

 k-point  94 :       0.3333    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.3549      1.00000
      2      -6.9340      1.00000
      3      -4.1965      1.00000
      4      -3.7298      1.00000
      5       1.9238      1.00000
      6       2.4824      1.00000
      7       2.6626      1.00000
      8       2.9717      1.00000
      9       3.5802      1.00000
     10       3.6829      1.00000
     11       5.3451      0.00000
     12       5.8519      0.00000
     13       5.9705      0.00000
     14       6.0871      0.00000
     15       7.1593      0.00000
     16       7.8788      0.00000

 k-point  95 :       0.4444    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.0365      1.00000
      2      -6.8613      1.00000
      3      -4.4175      1.00000
      4      -4.2282      1.00000
      5       2.2708      1.00000
      6       2.6051      1.00000
      7       2.9746      1.00000
      8       3.2353      1.00000
      9       3.7396      1.00000
     10       3.8139      1.00000
     11       4.7947      0.00000
     12       5.0602      0.00000
     13       5.6020      0.00000
     14       5.6369      0.00000
     15       7.1450      0.00000
     16       7.4350      0.00000

 k-point  96 :       0.0000    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.8833      1.00000
      2      -7.3076      1.00000
      3      -3.3074      1.00000
      4      -2.5968      1.00000
      5       1.6876      1.00000
      6       1.7795      1.00000
      7       2.3152      1.00000
      8       2.3387      1.00000
      9       2.7490      1.00000
     10       3.6471      1.00000
     11       7.0965      0.00000
     12       7.1857      0.00000
     13       7.5861      0.00000
     14       7.7819      0.00000
     15       7.8273      0.00000
     16       8.5238      0.00000

 k-point  97 :       0.1111    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.8136      1.00000
      2      -7.2494      1.00000
      3      -3.4384      1.00000
      4      -2.7555      1.00000
      5       1.4727      1.00000
      6       1.9661      1.00000
      7       2.0452      1.00000
      8       2.6902      1.00000
      9       2.9914      1.00000
     10       3.7029      1.00000
     11       6.4096      0.00000
     12       6.9375      0.00000
     13       7.4099      0.00000
     14       7.5102      0.00000
     15       8.1427      0.00000
     16       8.4084      0.00000

 k-point  98 :       0.2222    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.6140      1.00000
      2      -7.0930      1.00000
      3      -3.7819      1.00000
      4      -3.1787      1.00000
      5       1.3756      1.00000
      6       1.9887      1.00000
      7       2.2170      1.00000
      8       2.9864      1.00000
      9       3.4477      1.00000
     10       3.7553      1.00000
     11       5.6705      0.00000
     12       5.9662      0.00000
     13       6.9883      0.00000
     14       7.4424      0.00000
     15       7.6277      0.00000
     16       8.2776      0.00000

 k-point  99 :       0.3333    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.3184      1.00000
      2      -6.9070      1.00000
      3      -4.1782      1.00000
      4      -3.7219      1.00000
      5       1.5407      1.00000
      6       2.1727      1.00000
      7       2.5548      1.00000
      8       3.0809      1.00000
      9       3.5765      1.00000
     10       3.7314      1.00000
     11       5.2720      0.00000
     12       5.3379      0.00000
     13       6.4961      0.00000
     14       6.8841      0.00000
     15       7.2125      0.00000
     16       7.9185      0.00000

 k-point 100 :       0.4444    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.0089      1.00000
      2      -6.8391      1.00000
      3      -4.3758      1.00000
      4      -4.1920      1.00000
      5       1.9238      1.00000
      6       2.3071      1.00000
      7       2.9455      1.00000
      8       3.0104      1.00000
      9       3.2983      1.00000
     10       3.4298      1.00000
     11       5.3108      0.00000
     12       5.4520      0.00000
     13       6.0341      0.00000
     14       6.2031      0.00000
     15       7.1999      0.00000
     16       7.4926      0.00000

 k-point 101 :       0.0000    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.7447      1.00000
      2      -7.1946      1.00000
      3      -3.5924      1.00000
      4      -2.9405      1.00000
      5       1.6805      1.00000
      6       1.9553      1.00000
      7       2.4182      1.00000
      8       2.5054      1.00000
      9       3.0381      1.00000
     10       3.6979      1.00000
     11       6.5567      0.00000
     12       6.6399      0.00000
     13       7.1573      0.00000
     14       7.1658      0.00000
     15       7.4968      0.00000
     16       8.4102      0.00000

 k-point 102 :       0.1111    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.6784      1.00000
      2      -7.1409      1.00000
      3      -3.6635      1.00000
      4      -3.0323      1.00000
      5       1.2955      1.00000
      6       1.8843      1.00000
      7       2.1560      1.00000
      8       2.9625      1.00000
      9       3.3764      1.00000
     10       3.7697      1.00000
     11       5.7824      0.00000
     12       6.1234      0.00000
     13       7.2250      0.00000
     14       7.5200      0.00000
     15       7.9793      0.00000
     16       8.3261      0.00000

 k-point 103 :       0.2222    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.4897      1.00000
      2      -6.9983      1.00000
      3      -3.8686      1.00000
      4      -3.3062      1.00000
      5       0.9453      1.00000
      6       1.5340      1.00000
      7       2.3835      1.00000
      8       3.1161      1.00000
      9       3.6327      1.00000
     10       3.7772      1.00000
     11       5.3453      0.00000
     12       5.5196      0.00000
     13       7.2239      0.00000
     14       7.6237      0.00000
     15       7.9774      0.00000
     16       8.3425      0.00000

 k-point 104 :       0.3333    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.2139      1.00000
      2      -6.8337      1.00000
      3      -4.1305      1.00000
      4      -3.7087      1.00000
      5       0.9270      1.00000
      6       1.5283      1.00000
      7       2.6522      1.00000
      8       2.6577      1.00000
      9       3.3694      1.00000
     10       3.4232      1.00000
     11       5.5105      0.00000
     12       5.9144      0.00000
     13       7.0904      0.00000
     14       7.4441      0.00000
     15       7.5228      0.00000
     16       8.1475      0.00000

 k-point 105 :       0.4444    0.1818    0.4286
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -6.7785      1.00000
      3      -4.2569      1.00000
      4      -4.0904      1.00000
      5       1.2391      1.00000
      6       1.6753      1.00000
      7       2.1240      1.00000
      8       2.5532      1.00000
      9       3.0461      1.00000
     10       3.2780      1.00000
     11       6.1069      0.00000
     12       6.3869      0.00000
     13       6.8323      0.00000
     14       7.0205      0.00000
     15       7.3790      0.00000
     16       7.7294      0.00000

 k-point 106 :       0.0000    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.5285      1.00000
      2      -7.0363      1.00000
      3      -3.9644      1.00000
      4      -3.4058      1.00000
      5       1.7864      1.00000
      6       2.2404      1.00000
      7       2.5731      1.00000
      8       2.7667      1.00000
      9       3.3712      1.00000
     10       3.7038      1.00000
     11       5.8129      0.00000
     12       6.2088      0.00000
     13       6.3668      0.00000
     14       6.4948      0.00000
     15       7.2838      0.00000
     16       8.1222      0.00000

 k-point 107 :       0.1111    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.4684      1.00000
      2      -6.9902      1.00000
      3      -3.9719      1.00000
      4      -3.4303      1.00000
      5       1.2964      1.00000
      6       1.9127      1.00000
      7       2.3917      1.00000
      8       3.0969      1.00000
      9       3.6765      1.00000
     10       3.7001      1.00000
     11       5.4309      0.00000
     12       5.4445      0.00000
     13       6.8945      0.00000
     14       7.3659      0.00000
     15       7.4557      0.00000
     16       8.1487      0.00000

 k-point 108 :       0.2222    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.2991      1.00000
      2      -6.8703      1.00000
      3      -4.0073      1.00000
      4      -3.5254      1.00000
      5       0.7052      1.00000
      6       1.2995      1.00000
      7       2.5688      1.00000
      8       2.7530      1.00000
      9       3.4558      1.00000
     10       3.4684      1.00000
     11       5.4780      0.00000
     12       5.9118      0.00000
     13       7.2247      0.00000
     14       7.6973      0.00000
     15       7.8131      0.00000
     16       8.4375      0.00000

 k-point 109 :       0.3333    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.0582      1.00000
      2      -6.7380      1.00000
      3      -4.0711      1.00000
      4      -3.7166      1.00000
      5       0.4447      1.00000
      6       1.0432      1.00000
      7       1.9015      1.00000
      8       2.4842      1.00000
      9       2.9259      1.00000
     10       3.4208      1.00000
     11       6.2371      0.00000
     12       6.6634      0.00000
     13       7.3675      0.00000
     14       7.6719      0.00000
     15       7.7943      0.00000
     16       8.5690      0.00000

 k-point 110 :       0.4444    0.2727    0.4286
  band No.  band energies     occupation 
      1      -6.8219      1.00000
      2      -6.6978      1.00000
      3      -4.0821      1.00000
      4      -3.9463      1.00000
      5       0.5924      1.00000
      6       1.0392      1.00000
      7       1.3071      1.00000
      8       1.7641      1.00000
      9       3.1232      1.00000
     10       3.3202      1.00000
     11       6.9357      0.00000
     12       7.0991      0.00000
     13       7.4585      0.00000
     14       7.5601      0.00000
     15       7.7718      0.00000
     16       8.2802      0.00000

 k-point 111 :       0.0000    0.3636    0.4286
  band No.  band energies     occupation 
      1      -7.2644      1.00000
      2      -6.8940      1.00000
      3      -4.2906      1.00000
      4      -3.8837      1.00000
      5       2.0091      1.00000
      6       2.6148      1.00000
      7       2.6832      1.00000
      8       3.0712      1.00000
      9       3.6702      1.00000
     10       3.6794      1.00000
     11       5.1404      0.00000
     12       5.6102      0.00000
     13       5.8657      0.00000
     14       5.9119      0.00000
     15       7.1227      0.00000
     16       7.7527      0.00000

 k-point 112 :       0.1111    0.3636    0.4286
  band No.  band energies     occupation 
      1      -7.2135      1.00000
      2      -6.8571      1.00000
      3      -4.2501      1.00000
      4      -3.8581      1.00000
      5       1.4871      1.00000
      6       2.0954      1.00000
      7       2.6744      1.00000
      8       2.9744      1.00000
      9       3.4497      1.00000
     10       3.6446      1.00000
     11       5.2330      0.00000
     12       5.4682      0.00000
     13       6.5279      0.00000
     14       6.8726      0.00000
     15       7.2035      0.00000
     16       7.8291      0.00000

 k-point 113 :       0.2222    0.3636    0.4286
  band No.  band energies     occupation 
      1      -7.0731      1.00000
      2      -6.7627      1.00000
      3      -4.1441      1.00000
      4      -3.8021      1.00000
      5       0.7204      1.00000
      6       1.3161      1.00000
      7       2.1168      1.00000
      8       2.6390      1.00000
      9       2.9701      1.00000
     10       3.3956      1.00000
     11       6.0069      0.00000
     12       6.4147      0.00000
     13       7.2419      0.00000
     14       7.5274      0.00000
     15       7.5513      0.00000
     16       8.2576      0.00000

 k-point 114 :       0.3333    0.3636    0.4286
  band No.  band energies     occupation 
      1      -6.8819      1.00000
      2      -6.6608      1.00000
      3      -4.0125      1.00000
      4      -3.7690      1.00000
      5       0.2162      1.00000
      6       0.8174      1.00000
      7       1.1946      1.00000
      8       1.8155      1.00000
      9       3.0483      1.00000
     10       3.4056      1.00000
     11       6.9280      0.00000
     12       7.1872      0.00000
     13       7.6571      0.00000
     14       7.7300      0.00000
     15       7.9145      0.00000
     16       8.7421      0.00000

 k-point 115 :       0.4444    0.3636    0.4286
  band No.  band energies     occupation 
      1      -6.7076      1.00000
      2      -6.6256      1.00000
      3      -3.8932      1.00000
      4      -3.8031      1.00000
      5       0.1344      1.00000
      6       0.4871      1.00000
      7       0.7520      1.00000
      8       1.1131      1.00000
      9       3.2272      1.00000
     10       3.3574      1.00000
     11       7.4689      0.00000
     12       7.4905      0.00000
     13       7.7325      0.00000
     14       7.9343      0.00000
     15       8.3742      0.00000
     16       8.7648      0.00000

 k-point 116 :       0.0000    0.4545    0.4286
  band No.  band energies     occupation 
      1      -7.0118      1.00000
      2      -6.8668      1.00000
      3      -4.4179      1.00000
      4      -4.2614      1.00000
      5       2.3050      1.00000
      6       2.5820      1.00000
      7       3.0161      1.00000
      8       3.2361      1.00000
      9       3.7525      1.00000
     10       3.8188      1.00000
     11       4.7819      0.00000
     12       5.0059      0.00000
     13       5.5835      0.00000
     14       5.6160      0.00000
     15       7.1603      0.00000
     16       7.3996      0.00000

 k-point 117 :       0.1111    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.9721      1.00000
      2      -6.8339      1.00000
      3      -4.3549      1.00000
      4      -4.2054      1.00000
      5       1.8241      1.00000
      6       2.1620      1.00000
      7       2.8383      1.00000
      8       2.9638      1.00000
      9       3.2261      1.00000
     10       3.2521      1.00000
     11       5.5014      0.00000
     12       5.6807      0.00000
     13       6.1690      0.00000
     14       6.3466      0.00000
     15       7.2440      0.00000
     16       7.4887      0.00000

 k-point 118 :       0.2222    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.8656      1.00000
      2      -6.7485      1.00000
      3      -4.1804      1.00000
      4      -4.0529      1.00000
      5       0.9735      1.00000
      6       1.3566      1.00000
      7       1.7467      1.00000
      8       2.1354      1.00000
      9       3.0943      1.00000
     10       3.2781      1.00000
     11       6.5464      0.00000
     12       6.7728      0.00000
     13       7.1622      0.00000
     14       7.2345      0.00000
     15       7.5440      0.00000
     16       7.9034      0.00000

 k-point 119 :       0.3333    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.7301      1.00000
      2      -6.6498      1.00000
      3      -3.9457      1.00000
      4      -3.8577      1.00000
      5       0.2816      1.00000
      6       0.6135      1.00000
      7       0.9158      1.00000
      8       1.2557      1.00000
      9       3.2097      1.00000
     10       3.3369      1.00000
     11       7.3817      0.00000
     12       7.3843      0.00000
     13       7.6458      0.00000
     14       7.8294      0.00000
     15       8.2315      0.00000
     16       8.6062      0.00000

 k-point 120 :       0.4444    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.6226      1.00000
      2      -6.5937      1.00000
      3      -3.7536      1.00000
      4      -3.7218      1.00000
      5      -0.0498      1.00000
      6       0.0803      1.00000
      7       0.5565      1.00000
      8       0.6896      1.00000
      9       3.3146      1.00000
     10       3.3603      1.00000
     11       7.6584      0.00000
     12       7.6740      0.00000
     13       7.9721      0.00000
     14       8.0356      0.00000
     15       8.8014      0.00000
     16       8.9382      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.7253      1.00000
      2      -5.5476      1.00000
      3      -4.6397      1.00000
      4       0.0016      1.00000
      5       0.0533      1.00000
      6       0.9566      1.00000
      7       0.9566      1.00000
      8       1.5402      1.00000
      9       3.9434      1.00000
     10       3.9434      1.00000
     11       5.8671      0.00000
     12       5.8671      0.00000
     13       7.6914      0.00000
     14       9.4664      0.00000
     15       9.4664      0.00000
     16      10.6165      0.00000

 k-point   2 :       0.1111    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.6461      1.00000
      2      -5.6492      1.00000
      3      -4.5511      1.00000
      4      -0.2753      1.00000
      5      -0.2070      1.00000
      6       1.0491      1.00000
      7       1.2978      1.00000
      8       1.4066      1.00000
      9       4.0364      1.00000
     10       4.1477      1.00000
     11       5.5932      0.00000
     12       5.7325      0.00000
     13       8.0617      0.00000
     14       9.0469      0.00000
     15       9.2060      0.00000
     16      10.6837      0.00000

 k-point   3 :       0.2222    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.4122      1.00000
      2      -5.9518      1.00000
      3      -4.2877      1.00000
      4      -0.9431      1.00000
      5      -0.5013      1.00000
      6       1.0451      1.00000
      7       1.3252      1.00000
      8       1.8901      1.00000
      9       4.3144      1.00000
     10       4.6428      0.93928
     11       4.8984      0.00000
     12       5.3407      0.00000
     13       8.1359      0.00000
     14       8.5483      0.00000
     15       9.0901      0.00000
     16      10.0090      0.00000

 k-point   4 :       0.3333    0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.0371      1.00000
      2      -6.4235      1.00000
      3      -3.8565      1.00000
      4      -1.7536      1.00000
      5      -0.5520      1.00000
      6       0.5554      1.00000
      7       1.7793      1.00000
      8       2.5426      1.00000
      9       4.0286      1.00000
     10       4.7323      0.00000
     11       4.7740      0.00000
     12       5.2846      0.00000
     13       7.1337      0.00000
     14       7.7104      0.00000
     15       9.7696      0.00000
     16      10.4384      0.00000

 k-point   5 :       0.4444    0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5466      1.00000
      2      -6.9853      1.00000
      3      -3.2711      1.00000
      4      -2.5559      1.00000
      5      -0.3441      1.00000
      6       0.0560      1.00000
      7       2.3999      1.00000
      8       3.1647      1.00000
      9       3.2509      1.00000
     10       4.0010      1.00000
     11       5.4082      0.00000
     12       6.0237      0.00000
     13       6.2038      0.00000
     14       6.8433      0.00000
     15       9.9634      0.00000
     16      10.4543      0.00000

 k-point   6 :       0.0000    0.0909    0.0000
  band No.  band energies     occupation 
      1      -8.6722      1.00000
      2      -5.6156      1.00000
      3      -4.5804      1.00000
      4      -0.1878      1.00000
      5      -0.1404      1.00000
      6       1.0186      1.00000
      7       1.2032      1.00000
      8       1.4500      1.00000
      9       4.0057      1.00000
     10       4.0832      1.00000
     11       5.6810      0.00000
     12       5.7768      0.00000
     13       7.9409      0.00000
     14       9.1759      0.00000
     15       9.2893      0.00000
     16      10.6586      0.00000

 k-point   7 :       0.1111    0.0909    0.0000
  band No.  band energies     occupation 
      1      -8.5938      1.00000
      2      -5.7076      1.00000
      3      -4.4926      1.00000
      4      -0.4140      1.00000
      5      -0.2318      1.00000
      6       0.7036      1.00000
      7       1.3267      1.00000
      8       1.7890      1.00000
      9       3.7277      1.00000
     10       4.6204      0.99913
     11       5.1762      0.00000
     12       5.8647      0.00000
     13       8.2932      0.00000
     14       8.3930      0.00000
     15       9.5409      0.00000
     16      10.6028      0.00000

 k-point   8 :       0.2222    0.0909    0.0000
  band No.  band energies     occupation 
      1      -8.3629      1.00000
      2      -5.9856      1.00000
      3      -4.2315      1.00000
      4      -0.9996      1.00000
      5      -0.4474      1.00000
      6       0.7826      1.00000
      7       0.9879      1.00000
      8       2.5036      1.00000
      9       3.7505      1.00000
     10       4.3362      1.00000
     11       5.3155      0.00000
     12       5.6680      0.00000
     13       7.3555      0.00000
     14       9.2069      0.00000
     15       9.2839      0.00000
     16      10.1460      0.00000

 k-point   9 :       0.3333    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.9933      1.00000
      2      -6.4285      1.00000
      3      -3.8049      1.00000
      4      -1.7556      1.00000
      5      -0.5146      1.00000
      6       0.5212      1.00000
      7       1.1769      1.00000
      8       3.2170      1.00000
      9       3.4103      1.00000
     10       4.0750      1.00000
     11       5.2406      0.00000
     12       6.0611      0.00000
     13       6.3260      0.00000
     14       8.5008      0.00000
     15       9.6803      0.00000
     16      10.4879      0.00000

 k-point  10 :       0.4444    0.0909    0.0000
  band No.  band energies     occupation 
      1      -7.5124      1.00000
      2      -6.9669      1.00000
      3      -3.2281      1.00000
      4      -2.5286      1.00000
      5      -0.3344      1.00000
      6       0.0427      1.00000
      7       1.7749      1.00000
      8       2.5332      1.00000
      9       3.9337      1.00000
     10       4.6330      0.98735
     11       4.6409      0.95353
     12       5.4039      0.00000
     13       6.8485      0.00000
     14       7.6749      0.00000
     15       9.6986      0.00000
     16      10.1251      0.00000

 k-point  11 :       0.0000    0.1818    0.0000
  band No.  band energies     occupation 
      1      -8.5145      1.00000
      2      -5.8194      1.00000
      3      -4.4034      1.00000
      4      -0.6725      1.00000
      5      -0.4169      1.00000
      6       1.1975      1.00000
      7       1.2038      1.00000
      8       1.6658      1.00000
      9       4.1921      1.00000
     10       4.4406      1.00000
     11       5.1840      0.00000
     12       5.5114      0.00000
     13       8.4923      0.00000
     14       8.6519      0.00000
     15       8.8190      0.00000
     16      10.2108      0.00000

 k-point  12 :       0.1111    0.1818    0.0000
  band No.  band energies     occupation 
      1      -8.4390      1.00000
      2      -5.8854      1.00000
      3      -4.3179      1.00000
      4      -0.7990      1.00000
      5      -0.3526      1.00000
      6       0.5814      1.00000
      7       1.0992      1.00000
      8       2.4110      1.00000
      9       3.5999      1.00000
     10       4.4970      1.00000
     11       5.2224      0.00000
     12       5.8105      0.00000
     13       7.5330      0.00000
     14       8.9624      0.00000
     15       9.5018      0.00000
     16      10.4796      0.00000

 k-point  13 :       0.2222    0.1818    0.0000
  band No.  band energies     occupation 
      1      -8.2172      1.00000
      2      -6.0945      1.00000
      3      -4.0643      1.00000
      4      -1.1841      1.00000
      5      -0.2936      1.00000
      6       0.1875      1.00000
      7       0.8160      1.00000
      8       3.2549      1.00000
      9       3.3181      1.00000
     10       3.5352      1.00000
     11       5.8424      0.00000
     12       6.1525      0.00000
     13       6.3935      0.00000
     14       9.7474      0.00000
     15       9.8627      0.00000
     16      10.4715      0.00000

 k-point  14 :       0.3333    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.8654      1.00000
      2      -6.4527      1.00000
      3      -3.6528      1.00000
      4      -1.7777      1.00000
      5      -0.4230      1.00000
      6       0.4038      1.00000
      7       0.4740      1.00000
      8       2.5953      1.00000
      9       3.3232      1.00000
     10       4.1362      1.00000
     11       5.3375      0.00000
     12       5.6788      0.00000
     13       7.0525      0.00000
     14       9.3971      0.00000
     15       9.8123      0.00000
     16      10.2230      0.00000

 k-point  15 :       0.4444    0.1818    0.0000
  band No.  band energies     occupation 
      1      -7.4151      1.00000
      2      -6.9190      1.00000
      3      -3.1038      1.00000
      4      -2.4555      1.00000
      5      -0.3388      1.00000
      6      -0.0256      1.00000
      7       1.0328      1.00000
      8       1.7501      1.00000
      9       3.7447      1.00000
     10       4.4367      1.00000
     11       4.8314      0.00000
     12       5.3567      0.00000
     13       7.9108      0.00000
     14       8.7174      0.00000
     15       9.4665      0.00000
     16       9.6314      0.00000

 k-point  16 :       0.0000    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.2580      1.00000
      2      -6.1492      1.00000
      3      -4.1119      1.00000
      4      -1.3051      1.00000
      5      -0.5584      1.00000
      6       0.8313      1.00000
      7       1.5101      1.00000
      8       2.1801      1.00000
      9       4.5011      1.00000
     10       4.5114      1.00000
     11       4.9209      0.00000
     12       5.0866      0.00000
     13       7.6781      0.00000
     14       8.1786      0.00000
     15       9.7102      0.00000
     16       9.8420      0.00000

 k-point  17 :       0.1111    0.2727    0.0000
  band No.  band energies     occupation 
      1      -8.1877      1.00000
      2      -6.1804      1.00000
      3      -4.0306      1.00000
      4      -1.3480      1.00000
      5      -0.4831      1.00000
      6       0.7615      1.00000
      7       0.7713      1.00000
      8       3.0232      1.00000
      9       3.7077      1.00000
     10       3.7341      1.00000
     11       5.5911      0.00000
     12       5.8527      0.00000
     13       6.6588      0.00000
     14       9.0983      0.00000
     15       9.9165      0.00000
     16       9.9663      0.00000

 k-point  18 :       0.2222    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.9828      1.00000
      2      -6.2923      1.00000
      3      -3.7912      1.00000
      4      -1.5141      1.00000
      5      -0.2739      1.00000
      6       0.0332      1.00000
      7       0.5396      1.00000
      8       2.7537      1.00000
      9       3.0364      1.00000
     10       4.0717      1.00000
     11       5.4800      0.00000
     12       5.8200      0.00000
     13       6.9672      0.00000
     14       9.8669      0.00000
     15      10.3250      0.00000
     16      10.4115      0.00000

 k-point  19 :       0.3333    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.6639      1.00000
      2      -6.5195      1.00000
      3      -3.4086      1.00000
      4      -1.8627      1.00000
      5      -0.4259      1.00000
      6       0.1290      1.00000
      7       0.1747      1.00000
      8       1.9077      1.00000
      9       2.7965      1.00000
     10       4.4320      1.00000
     11       4.9303      0.00000
     12       5.7858      0.00000
     13       8.0019      0.00000
     14       9.7189      0.00000
     15      10.0271      0.00000
     16      10.2397      0.00000

 k-point  20 :       0.4444    0.2727    0.0000
  band No.  band energies     occupation 
      1      -7.2701      1.00000
      2      -6.8634      1.00000
      3      -2.9137      1.00000
      4      -2.3657      1.00000
      5      -0.4713      1.00000
      6      -0.2219      1.00000
      7       0.6119      1.00000
      8       1.2049      1.00000
      9       3.0081      1.00000
     10       3.5844      1.00000
     11       5.4727      0.00000
     12       5.6997      0.00000
     13       8.9069      0.00000
     14       9.4467      0.00000
     15       9.6293      0.00000
     16       9.7029      0.00000

 k-point  21 :       0.0000    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.9133      1.00000
      2      -6.5718      1.00000
      3      -3.7113      1.00000
      4      -1.9775      1.00000
      5      -0.5189      1.00000
      6       0.4152      1.00000
      7       1.9327      1.00000
      8       2.7302      1.00000
      9       3.7872      1.00000
     10       4.5402      1.00000
     11       4.9300      0.00000
     12       5.4773      0.00000
     13       6.8693      0.00000
     14       7.4725      0.00000
     15       9.7835      0.00000
     16      10.6475      0.00000

 k-point  22 :       0.1111    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.8513      1.00000
      2      -6.5691      1.00000
      3      -3.6373      1.00000
      4      -1.9665      1.00000
      5      -0.4759      1.00000
      6       0.3717      1.00000
      7       1.1481      1.00000
      8       2.9760      1.00000
      9       3.6208      1.00000
     10       4.0173      1.00000
     11       5.2338      0.00000
     12       5.8377      0.00000
     13       6.4973      0.00000
     14       8.5018      0.00000
     15       9.6098      0.00000
     16      10.4281      0.00000

 k-point  23 :       0.2222    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.6740      1.00000
      2      -6.5805      1.00000
      3      -3.4219      1.00000
      4      -1.9647      1.00000
      5      -0.4195      1.00000
      6       0.2009      1.00000
      7       0.3855      1.00000
      8       2.0399      1.00000
      9       3.1116      1.00000
     10       4.6615      0.59010
     11       4.7134      0.00029
     12       5.7179      0.00000
     13       7.7331      0.00000
     14       9.5959      0.00000
     15       9.8074      0.00000
     16       9.8280      0.00000

 k-point  24 :       0.3333    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.4084      1.00000
      2      -6.6544      1.00000
      3      -3.0889      1.00000
      4      -2.0553      1.00000
      5      -0.6056      1.00000
      6      -0.1469      1.00000
      7       0.2762      1.00000
      8       1.3794      1.00000
      9       2.5726      1.00000
     10       3.6562      1.00000
     11       5.4598      0.00000
     12       5.7561      0.00000
     13       8.8510      0.00000
     14       9.4801      0.00000
     15      10.2469      0.00000
     16      10.3681      0.00000

 k-point  25 :       0.4444    0.3636    0.0000
  band No.  band energies     occupation 
      1      -7.1047      1.00000
      2      -6.8327      1.00000
      3      -2.6884      1.00000
      4      -2.3084      1.00000
      5      -0.7246      1.00000
      6      -0.5352      1.00000
      7       0.5574      1.00000
      8       0.9299      1.00000
      9       2.5104      1.00000
     10       2.9061      1.00000
     11       5.7123      0.00000
     12       5.7247      0.00000
     13       9.7207      0.00000
     14       9.7381      0.00000
     15      10.2442      0.00000
     16      10.2648      0.00000

 k-point  26 :       0.0000    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.4976      1.00000
      2      -7.0376      1.00000
      3      -3.2110      1.00000
      4      -2.6254      1.00000
      5      -0.3144      1.00000
      6       0.0140      1.00000
      7       2.4639      1.00000
      8       3.0901      1.00000
      9       3.3179      1.00000
     10       3.9323      1.00000
     11       5.4741      0.00000
     12       6.0952      0.00000
     13       6.1254      0.00000
     14       6.7661      0.00000
     15       9.9987      0.00000
     16      10.4045      0.00000

 k-point  27 :       0.1111    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.4487      1.00000
      2      -7.0080      1.00000
      3      -3.1486      1.00000
      4      -2.5822      1.00000
      5      -0.3052      1.00000
      6      -0.0047      1.00000
      7       1.6570      1.00000
      8       2.2735      1.00000
      9       4.2050      1.00000
     10       4.4929      1.00000
     11       4.7570      0.00000
     12       5.1073      0.00000
     13       7.1589      0.00000
     14       7.8349      0.00000
     15       9.6386      0.00000
     16       9.9576      0.00000

 k-point  28 :       0.2222    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.3135      1.00000
      2      -6.9349      1.00000
      3      -2.9729      1.00000
      4      -2.4722      1.00000
      5      -0.3578      1.00000
      6      -0.1263      1.00000
      7       0.8503      1.00000
      8       1.4043      1.00000
      9       3.4401      1.00000
     10       3.9705      1.00000
     11       5.2096      0.00000
     12       5.5360      0.00000
     13       8.4436      0.00000
     14       9.0826      0.00000
     15       9.4736      0.00000
     16       9.4860      0.00000

 k-point  29 :       0.3333    0.4545    0.0000
  band No.  band energies     occupation 
      1      -7.1289      1.00000
      2      -6.8645      1.00000
      3      -2.7232      1.00000
      4      -2.3581      1.00000
      5      -0.6340      1.00000
      6      -0.4569      1.00000
      7       0.5862      1.00000
      8       0.9554      1.00000
      9       2.6711      1.00000
     10       3.0521      1.00000
     11       5.6856      0.00000
     12       5.7328      0.00000
     13       9.5549      0.00000
     14       9.6172      0.00000
     15      10.0132      0.00000
     16      10.0537      0.00000

 k-point  30 :       0.4444    0.4545    0.0000
  band No.  band energies     occupation 
      1      -6.9556      1.00000
      2      -6.8592      1.00000
      3      -2.4770      1.00000
      4      -2.3387      1.00000
      5      -0.8687      1.00000
      6      -0.7961      1.00000
      7       0.6546      1.00000
      8       0.7808      1.00000
      9       2.3199      1.00000
     10       2.4632      1.00000
     11       5.6882      0.00000
     12       5.7080      0.00000
     13      10.2254      0.00000
     14      10.3034      0.00000
     15      10.5007      0.00000
     16      10.5188      0.00000

 k-point  31 :       0.0000    0.0000    0.1429
  band No.  band energies     occupation 
      1      -8.6350      1.00000
      2      -5.9585      1.00000
      3      -4.3260      1.00000
      4      -0.6436      1.00000
      5       0.4136      1.00000
      6       1.0433      1.00000
      7       1.0433      1.00000
      8       2.2700      1.00000
      9       3.6029      1.00000
     10       3.6029      1.00000
     11       6.1824      0.00000
     12       6.1824      0.00000
     13       7.7943      0.00000
     14       9.2600      0.00000
     15       9.2600      0.00000
     16       9.5643      0.00000

 k-point  32 :       0.1111    0.0000    0.1429
  band No.  band energies     occupation 
      1      -8.5564      1.00000
      2      -5.9810      1.00000
      3      -4.3361      1.00000
      4      -0.8819      1.00000
      5       0.1355      1.00000
      6       1.1355      1.00000
      7       1.4209      1.00000
      8       2.0951      1.00000
      9       3.6844      1.00000
     10       3.7918      1.00000
     11       5.8977      0.00000
     12       6.0479      0.00000
     13       8.1597      0.00000
     14       8.8377      0.00000
     15       8.9814      0.00000
     16       9.5647      0.00000

 k-point  33 :       0.2222    0.0000    0.1429
  band No.  band energies     occupation 
      1      -8.3251      1.00000
      2      -6.1128      1.00000
      3      -4.2942      1.00000
      4      -1.4784      1.00000
      5      -0.1179      1.00000
      6       1.4101      1.00000
      7       1.6754      1.00000
      8       2.0192      1.00000
      9       3.8985      1.00000
     10       4.2024      1.00000
     11       5.2287      0.00000
     12       5.6861      0.00000
     13       7.9236      0.00000
     14       8.2569      0.00000
     15       9.2170      0.00000
     16       9.5173      0.00000

 k-point  34 :       0.3333    0.0000    0.1429
  band No.  band energies     occupation 
      1      -7.9556      1.00000
      2      -6.4489      1.00000
      3      -4.0605      1.00000
      4      -2.2235      1.00000
      5      -0.1077      1.00000
      6       1.1417      1.00000
      7       1.8607      1.00000
      8       2.6640      1.00000
      9       3.8945      1.00000
     10       4.4922      1.00000
     11       4.7968      0.00000
     12       5.3693      0.00000
     13       6.9222      0.00000
     14       7.3983      0.00000
     15       9.5199      0.00000
     16      10.5612      0.00000

 k-point  35 :       0.4444    0.0000    0.1429
  band No.  band energies     occupation 
      1      -7.4774      1.00000
      2      -6.9443      1.00000
      3      -3.5990      1.00000
      4      -2.9627      1.00000
      5       0.1560      1.00000
      6       0.6020      1.00000
      7       2.4724      1.00000
      8       3.2078      1.00000
      9       3.3535      1.00000
     10       4.0508      1.00000
     11       5.2407      0.00000
     12       5.7805      0.00000
     13       6.0017      0.00000
     14       6.5363      0.00000
     15       9.7537      0.00000
     16      10.2010      0.00000

 k-point  36 :       0.0000    0.0909    0.1429
  band No.  band energies     occupation 
      1      -8.5823      1.00000
      2      -5.9722      1.00000
      3      -4.3342      1.00000
      4      -0.8058      1.00000
      5       0.2008      1.00000
      6       1.1050      1.00000
      7       1.3216      1.00000
      8       2.1498      1.00000
      9       3.6578      1.00000
     10       3.7337      1.00000
     11       5.9880      0.00000
     12       6.0916      0.00000
     13       8.0412      0.00000
     14       8.9675      0.00000
     15       9.0693      0.00000
     16       9.5661      0.00000

 k-point  37 :       0.1111    0.0909    0.1429
  band No.  band energies     occupation 
      1      -8.5047      1.00000
      2      -5.9971      1.00000
      3      -4.3300      1.00000
      4      -1.0048      1.00000
      5       0.1306      1.00000
      6       0.7926      1.00000
      7       1.8984      1.00000
      8       2.0038      1.00000
      9       3.3875      1.00000
     10       4.1869      1.00000
     11       5.5294      0.00000
     12       6.1857      0.00000
     13       8.1589      0.00000
     14       8.3905      0.00000
     15       9.3382      0.00000
     16       9.5771      0.00000

 k-point  38 :       0.2222    0.0909    0.1429
  band No.  band energies     occupation 
      1      -8.2763      1.00000
      2      -6.1284      1.00000
      3      -4.2604      1.00000
      4      -1.5312      1.00000
      5      -0.0654      1.00000
      6       0.8967      1.00000
      7       1.6149      1.00000
      8       2.6054      1.00000
      9       3.3976      1.00000
     10       4.2516      1.00000
     11       5.2734      0.00000
     12       5.9888      0.00000
     13       7.1121      0.00000
     14       8.9435      0.00000
     15       9.4228      0.00000
     16       9.5949      0.00000

 k-point  39 :       0.3333    0.0909    0.1429
  band No.  band energies     occupation 
      1      -7.9124      1.00000
      2      -6.4501      1.00000
      3      -4.0129      1.00000
      4      -2.2247      1.00000
      5      -0.0880      1.00000
      6       1.0984      1.00000
      7       1.3014      1.00000
      8       3.3014      1.00000
      9       3.4450      1.00000
     10       3.7315      1.00000
     11       5.4897      0.00000
     12       5.8895      0.00000
     13       6.0932      0.00000
     14       8.2278      0.00000
     15       9.5565      0.00000
     16      10.5571      0.00000

 k-point  40 :       0.4444    0.0909    0.1429
  band No.  band energies     occupation 
      1      -7.4438      1.00000
      2      -6.9259      1.00000
      3      -3.5550      1.00000
      4      -2.9343      1.00000
      5       0.1453      1.00000
      6       0.5724      1.00000
      7       1.8941      1.00000
      8       2.6337      1.00000
      9       3.9516      1.00000
     10       4.1266      1.00000
     11       5.0210      0.00000
     12       5.2417      0.00000
     13       6.5892      0.00000
     14       7.3945      0.00000
     15       9.6848      0.00000
     16      10.0815      0.00000

 k-point  41 :       0.0000    0.1818    0.1429
  band No.  band energies     occupation 
      1      -8.4262      1.00000
      2      -6.0443      1.00000
      3      -4.3250      1.00000
      4      -1.2339      1.00000
      5      -0.0529      1.00000
      6       1.2894      1.00000
      7       1.7952      1.00000
      8       1.8471      1.00000
      9       3.8118      1.00000
     10       4.0427      1.00000
     11       5.4918      0.00000
     12       5.8371      0.00000
     13       8.2808      0.00000
     14       8.5134      0.00000
     15       8.8049      0.00000
     16       9.5411      0.00000

 k-point  42 :       0.1111    0.1818    0.1429
  band No.  band energies     occupation 
      1      -8.3514      1.00000
      2      -6.0712      1.00000
      3      -4.2883      1.00000
      4      -1.3500      1.00000
      5       0.0256      1.00000
      6       0.6863      1.00000
      7       1.7427      1.00000
      8       2.5126      1.00000
      9       3.2572      1.00000
     10       4.3316      1.00000
     11       5.2746      0.00000
     12       6.1359      0.00000
     13       7.2900      0.00000
     14       9.0261      0.00000
     15       9.3252      0.00000
     16       9.6168      0.00000

 k-point  43 :       0.2222    0.1818    0.1429
  band No.  band energies     occupation 
      1      -8.1323      1.00000
      2      -6.1901      1.00000
      3      -4.1542      1.00000
      4      -1.7013      1.00000
      5       0.0855      1.00000
      6       0.3262      1.00000
      7       1.4236      1.00000
      8       2.9140      1.00000
      9       3.3953      1.00000
     10       3.6013      1.00000
     11       5.9637      0.00000
     12       6.1613      0.00000
     13       6.1901      0.00000
     14       9.5021      0.00000
     15       9.7684      0.00000
     16       9.9980      0.00000

 k-point  44 :       0.3333    0.1818    0.1429
  band No.  band energies     occupation 
      1      -7.7864      1.00000
      2      -6.4632      1.00000
      3      -3.8733      1.00000
      4      -2.2426      1.00000
      5      -0.0911      1.00000
      6       0.7040      1.00000
      7       0.9419      1.00000
      8       2.7262      1.00000
      9       2.9766      1.00000
     10       4.1110      1.00000
     11       5.2117      0.00000
     12       6.0017      0.00000
     13       6.8203      0.00000
     14       9.1381      0.00000
     15       9.7593      0.00000
     16      10.2976      0.00000

 k-point  45 :       0.4444    0.1818    0.1429
  band No.  band energies     occupation 
      1      -7.3483      1.00000
      2      -6.8779      1.00000
      3      -3.4281      1.00000
      4      -2.8574      1.00000
      5       0.0473      1.00000
      6       0.4340      1.00000
      7       1.2532      1.00000
      8       1.9344      1.00000
      9       3.3719      1.00000
     10       3.9774      1.00000
     11       5.1644      0.00000
     12       5.6513      0.00000
     13       7.6472      0.00000
     14       8.4404      0.00000
     15       9.6059      0.00000
     16       9.8020      0.00000

 k-point  46 :       0.0000    0.2727    0.1429
  band No.  band energies     occupation 
      1      -8.1730      1.00000
      2      -6.2391      1.00000
      3      -4.2173      1.00000
      4      -1.8096      1.00000
      5      -0.1477      1.00000
      6       1.4404      1.00000
      7       1.5937      1.00000
      8       2.3068      1.00000
      9       3.9825      1.00000
     10       4.3893      1.00000
     11       4.9309      0.00000
     12       5.4940      0.00000
     13       7.4655      0.00000
     14       7.8767      0.00000
     15       9.4970      0.00000
     16       9.8426      0.00000

 k-point  47 :       0.1111    0.2727    0.1429
  band No.  band energies     occupation 
      1      -8.1034      1.00000
      2      -6.2559      1.00000
      3      -4.1536      1.00000
      4      -1.8498      1.00000
      5      -0.0901      1.00000
      6       0.9035      1.00000
      7       1.3621      1.00000
      8       3.1125      1.00000
      9       3.3460      1.00000
     10       3.7873      1.00000
     11       5.6399      0.00000
     12       5.9344      0.00000
     13       6.4192      0.00000
     14       8.8401      0.00000
     15       9.6186      0.00000
     16      10.1025      0.00000

 k-point  48 :       0.2222    0.2727    0.1429
  band No.  band energies     occupation 
      1      -7.9014      1.00000
      2      -6.3303      1.00000
      3      -3.9637      1.00000
      4      -2.0018      1.00000
      5      -0.0558      1.00000
      6       0.3591      1.00000
      7       1.0949      1.00000
      8       2.6945      1.00000
      9       2.8836      1.00000
     10       4.0711      1.00000
     11       5.3278      0.00000
     12       6.1795      0.00000
     13       6.7417      0.00000
     14       9.6339      0.00000
     15       9.9310      0.00000
     16      10.4320      0.00000

 k-point  49 :       0.3333    0.2727    0.1429
  band No.  band energies     occupation 
      1      -7.5885      1.00000
      2      -6.5129      1.00000
      3      -3.6519      1.00000
      4      -2.3140      1.00000
      5      -0.3001      1.00000
      6       0.5724      1.00000
      7       0.6203      1.00000
      8       2.1378      1.00000
      9       2.4536      1.00000
     10       3.9795      1.00000
     11       5.2580      0.00000
     12       6.1671      0.00000
     13       7.7567      0.00000
     14       9.7651      0.00000
     15       9.9166      0.00000
     16      10.1411      0.00000

 k-point  50 :       0.4444    0.2727    0.1429
  band No.  band energies     occupation 
      1      -7.2064      1.00000
      2      -6.8213      1.00000
      3      -3.2345      1.00000
      4      -2.7584      1.00000
      5      -0.2618      1.00000
      6       0.0939      1.00000
      7       1.0066      1.00000
      8       1.5321      1.00000
      9       2.6574      1.00000
     10       3.2128      1.00000
     11       5.7811      0.00000
     12       6.0560      0.00000
     13       8.6488      0.00000
     14       9.3349      0.00000
     15       9.6803      0.00000
     16       9.8295      0.00000

 k-point  51 :       0.0000    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.8343      1.00000
      2      -6.5733      1.00000
      3      -3.9556      1.00000
      4      -2.4305      1.00000
      5      -0.0585      1.00000
      6       0.9907      1.00000
      7       2.0125      1.00000
      8       2.8478      1.00000
      9       3.7427      1.00000
     10       4.4397      1.00000
     11       4.8586      0.00000
     12       5.4094      0.00000
     13       6.6592      0.00000
     14       7.1582      0.00000
     15       9.5585      0.00000
     16      10.5685      0.00000

 k-point  52 :       0.1111    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.7732      1.00000
      2      -6.5675      1.00000
      3      -3.8842      1.00000
      4      -2.4184      1.00000
      5      -0.0466      1.00000
      6       0.9295      1.00000
      7       1.2873      1.00000
      8       3.0619      1.00000
      9       3.6467      1.00000
     10       3.6805      1.00000
     11       5.5115      0.00000
     12       5.6268      0.00000
     13       6.2739      0.00000
     14       8.2274      0.00000
     15       9.5748      0.00000
     16      10.4067      0.00000

 k-point  53 :       0.2222    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.5988      1.00000
      2      -6.5694      1.00000
      3      -3.6784      1.00000
      4      -2.4096      1.00000
      5      -0.1665      1.00000
      6       0.6771      1.00000
      7       0.7085      1.00000
      8       2.2316      1.00000
      9       2.7641      1.00000
     10       4.1370      1.00000
     11       5.1026      0.00000
     12       6.0630      0.00000
     13       7.4868      0.00000
     14       9.3298      0.00000
     15       9.8520      0.00000
     16       9.9805      0.00000

 k-point  54 :       0.3333    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.3391      1.00000
      2      -6.6278      1.00000
      3      -3.3673      1.00000
      4      -2.4770      1.00000
      5      -0.5093      1.00000
      6       0.1738      1.00000
      7       0.7613      1.00000
      8       1.7207      1.00000
      9       2.2294      1.00000
     10       3.2804      1.00000
     11       5.7672      0.00000
     12       6.1602      0.00000
     13       8.6019      0.00000
     14       9.6563      0.00000
     15      10.0259      0.00000
     16      10.3858      0.00000

 k-point  55 :       0.4444    0.3636    0.1429
  band No.  band energies     occupation 
      1      -7.0454      1.00000
      2      -6.7884      1.00000
      3      -3.0077      1.00000
      4      -2.6832      1.00000
      5      -0.6121      1.00000
      6      -0.3457      1.00000
      7       1.0438      1.00000
      8       1.3730      1.00000
      9       2.1657      1.00000
     10       2.5535      1.00000
     11       6.0840      0.00000
     12       6.1353      0.00000
     13       9.4913      0.00000
     14       9.8355      0.00000
     15      10.0517      0.00000
     16      10.3388      0.00000

 k-point  56 :       0.0000    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.4301      1.00000
      2      -6.9930      1.00000
      3      -3.5474      1.00000
      4      -3.0260      1.00000
      5       0.1903      1.00000
      6       0.5562      1.00000
      7       2.5350      1.00000
      8       3.1380      1.00000
      9       3.4178      1.00000
     10       3.9903      1.00000
     11       5.3012      0.00000
     12       5.8417      0.00000
     13       5.9249      0.00000
     14       6.4617      0.00000
     15       9.7869      0.00000
     16      10.1543      0.00000

 k-point  57 :       0.1111    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.3820      1.00000
      2      -6.9635      1.00000
      3      -3.4834      1.00000
      4      -2.9812      1.00000
      5       0.1673      1.00000
      6       0.5109      1.00000
      7       1.7902      1.00000
      8       2.3909      1.00000
      9       4.0273      1.00000
     10       4.1311      1.00000
     11       5.0383      0.00000
     12       5.0993      0.00000
     13       6.8946      0.00000
     14       7.5561      0.00000
     15       9.6797      0.00000
     16       9.9824      0.00000

 k-point  58 :       0.2222    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.2495      1.00000
      2      -6.8905      1.00000
      3      -3.3033      1.00000
      4      -2.8646      1.00000
      5      -0.0413      1.00000
      6       0.2662      1.00000
      7       1.1439      1.00000
      8       1.6533      1.00000
      9       3.0785      1.00000
     10       3.5772      1.00000
     11       5.5044      0.00000
     12       5.8499      0.00000
     13       8.1795      0.00000
     14       8.8045      0.00000
     15       9.6418      0.00000
     16       9.6818      0.00000

 k-point  59 :       0.3333    0.4545    0.1429
  band No.  band energies     occupation 
      1      -7.0693      1.00000
      2      -6.8193      1.00000
      3      -3.0479      1.00000
      4      -2.7345      1.00000
      5      -0.4944      1.00000
      6      -0.2425      1.00000
      7       1.0500      1.00000
      8       1.3746      1.00000
      9       2.3247      1.00000
     10       2.6967      1.00000
     11       6.0412      0.00000
     12       6.1268      0.00000
     13       9.3034      0.00000
     14       9.7037      0.00000
     15       9.8780      0.00000
     16      10.1174      0.00000

 k-point  60 :       0.4444    0.4545    0.1429
  band No.  band energies     occupation 
      1      -6.9018      1.00000
      2      -6.8108      1.00000
      3      -2.8037      1.00000
      4      -2.6872      1.00000
      5      -0.7758      1.00000
      6      -0.6764      1.00000
      7       1.1618      1.00000
      8       1.2761      1.00000
      9       1.9755      1.00000
     10       2.1174      1.00000
     11       6.1174      0.00000
     12       6.1248      0.00000
     13      10.0696      0.00000
     14      10.2765      0.00000
     15      10.3225      0.00000
     16      10.6973      0.00000

 k-point  61 :       0.0000    0.0000    0.2857
  band No.  band energies     occupation 
      1      -8.3668      1.00000
      2      -6.6598      1.00000
      3      -3.8085      1.00000
      4      -1.6014      1.00000
      5       1.3009      1.00000
      6       1.3009      1.00000
      7       1.3659      1.00000
      8       2.9443      1.00000
      9       2.9443      1.00000
     10       3.3408      1.00000
     11       6.7920      0.00000
     12       6.7920      0.00000
     13       8.0079      0.00000
     14       8.1015      0.00000
     15       8.7495      0.00000
     16       8.7495      0.00000

 k-point  62 :       0.1111    0.0000    0.2857
  band No.  band energies     occupation 
      1      -8.2907      1.00000
      2      -6.6248      1.00000
      3      -3.9116      1.00000
      4      -1.8129      1.00000
      5       0.9324      1.00000
      6       1.3917      1.00000
      7       1.8653      1.00000
      8       2.9026      1.00000
      9       3.0245      1.00000
     10       3.3844      1.00000
     11       6.4599      0.00000
     12       6.6099      0.00000
     13       8.0198      0.00000
     14       8.3265      0.00000
     15       8.3317      0.00000
     16       8.5484      0.00000

 k-point  63 :       0.2222    0.0000    0.2857
  band No.  band energies     occupation 
      1      -8.0682      1.00000
      2      -6.5595      1.00000
      3      -4.1503      1.00000
      4      -2.3504      1.00000
      5       0.7706      1.00000
      6       1.6616      1.00000
      7       2.4394      1.00000
      8       2.6565      1.00000
      9       3.2473      1.00000
     10       3.5997      1.00000
     11       5.7061      0.00000
     12       6.1767      0.00000
     13       7.4137      0.00000
     14       7.6115      0.00000
     15       8.0370      0.00000
     16       9.5183      0.00000

 k-point  64 :       0.3333    0.0000    0.2857
  band No.  band energies     occupation 
      1      -7.7188      1.00000
      2      -6.5950      1.00000
      3      -4.3051      1.00000
      4      -3.0246      1.00000
      5       0.8780      1.00000
      6       2.1003      1.00000
      7       2.2080      1.00000
      8       3.0356      1.00000
      9       3.4924      1.00000
     10       3.9324      1.00000
     11       4.9765      0.00000
     12       5.6674      0.00000
     13       6.4228      0.00000
     14       6.7264      0.00000
     15       8.1420      0.00000
     16       9.3249      0.00000

 k-point  65 :       0.4444    0.0000    0.2857
  band No.  band energies     occupation 
      1      -7.2863      1.00000
      2      -6.8616      1.00000
      3      -4.1427      1.00000
      4      -3.6694      1.00000
      5       1.2088      1.00000
      6       1.6847      1.00000
      7       2.6789      1.00000
      8       3.2874      1.00000
      9       3.6311      1.00000
     10       4.0497      1.00000
     11       4.9143      0.00000
     12       5.4583      0.00000
     13       5.5381      0.00000
     14       5.9272      0.00000
     15       8.4175      0.00000
     16       8.8389      0.00000

 k-point  66 :       0.0000    0.0909    0.2857
  band No.  band energies     occupation 
      1      -8.3158      1.00000
      2      -6.6357      1.00000
      3      -3.8788      1.00000
      4      -1.7451      1.00000
      5       0.9897      1.00000
      6       1.3618      1.00000
      7       1.7642      1.00000
      8       2.9207      1.00000
      9       2.9983      1.00000
     10       3.3665      1.00000
     11       6.5639      0.00000
     12       6.6670      0.00000
     13       8.0172      0.00000
     14       8.3140      0.00000
     15       8.4563      0.00000
     16       8.5514      0.00000

 k-point  67 :       0.1111    0.0909    0.2857
  band No.  band energies     occupation 
      1      -8.2407      1.00000
      2      -6.6030      1.00000
      3      -3.9614      1.00000
      4      -1.9232      1.00000
      5       0.9864      1.00000
      6       1.0851      1.00000
      7       2.2596      1.00000
      8       2.7174      1.00000
      9       2.9881      1.00000
     10       3.6145      1.00000
     11       6.0160      0.00000
     12       6.8139      0.00000
     13       7.6005      0.00000
     14       8.0225      0.00000
     15       8.6234      0.00000
     16       8.8933      0.00000

 k-point  68 :       0.2222    0.0909    0.2857
  band No.  band energies     occupation 
      1      -8.0212      1.00000
      2      -6.5440      1.00000
      3      -4.1544      1.00000
      4      -2.3977      1.00000
      5       0.7387      1.00000
      6       1.3296      1.00000
      7       2.5410      1.00000
      8       2.8484      1.00000
      9       2.9204      1.00000
     10       3.8982      1.00000
     11       5.4174      0.00000
     12       6.5545      0.00000
     13       6.5674      0.00000
     14       8.0691      0.00000
     15       8.3773      0.00000
     16       9.6718      0.00000

 k-point  69 :       0.3333    0.0909    0.2857
  band No.  band energies     occupation 
      1      -7.6777      1.00000
      2      -6.5836      1.00000
      3      -4.2706      1.00000
      4      -3.0226      1.00000
      5       0.7870      1.00000
      6       1.7387      1.00000
      7       2.1213      1.00000
      8       3.0266      1.00000
      9       3.5327      1.00000
     10       3.6295      1.00000
     11       5.4137      0.00000
     12       5.5985      0.00000
     13       6.0894      0.00000
     14       7.6074      0.00000
     15       8.1943      0.00000
     16       9.3119      0.00000

 k-point  70 :       0.4444    0.0909    0.2857
  band No.  band energies     occupation 
      1      -7.2548      1.00000
      2      -6.8425      1.00000
      3      -4.0983      1.00000
      4      -3.6379      1.00000
      5       1.0980      1.00000
      6       1.5821      1.00000
      7       2.2881      1.00000
      8       2.9313      1.00000
      9       3.5054      1.00000
     10       3.8479      1.00000
     11       5.0804      0.00000
     12       5.3900      0.00000
     13       6.0680      0.00000
     14       6.7827      0.00000
     15       8.4606      0.00000
     16       8.8596      0.00000

 k-point  71 :       0.0000    0.1818    0.2857
  band No.  band energies     occupation 
      1      -8.1652      1.00000
      2      -6.5805      1.00000
      3      -4.0587      1.00000
      4      -2.1291      1.00000
      5       0.7978      1.00000
      6       1.5432      1.00000
      7       2.2278      1.00000
      8       2.7748      1.00000
      9       3.1531      1.00000
     10       3.4998      1.00000
     11       6.0021      0.00000
     12       6.3525      0.00000
     13       7.7698      0.00000
     14       7.9174      0.00000
     15       8.0276      0.00000
     16       9.0856      0.00000

 k-point  72 :       0.1111    0.1818    0.2857
  band No.  band energies     occupation 
      1      -8.0931      1.00000
      2      -6.5545      1.00000
      3      -4.0905      1.00000
      4      -2.2338      1.00000
      5       0.7796      1.00000
      6       1.1529      1.00000
      7       2.5450      1.00000
      8       2.8261      1.00000
      9       2.8287      1.00000
     10       3.8946      1.00000
     11       5.5176      0.00000
     12       6.7296      0.00000
     13       6.7637      0.00000
     14       8.0557      0.00000
     15       8.7041      0.00000
     16       9.4087      0.00000

 k-point  73 :       0.2222    0.1818    0.2857
  band No.  band energies     occupation 
      1      -7.8833      1.00000
      2      -6.5120      1.00000
      3      -4.1631      1.00000
      4      -2.5489      1.00000
      5       0.4990      1.00000
      6       1.2044      1.00000
      7       2.2190      1.00000
      8       2.4730      1.00000
      9       3.6029      1.00000
     10       3.7137      1.00000
     11       5.6455      0.00000
     12       5.6701      0.00000
     13       6.8797      0.00000
     14       8.1600      0.00000
     15       8.9661      0.00000
     16       9.5332      0.00000

 k-point  74 :       0.3333    0.1818    0.2857
  band No.  band energies     occupation 
      1      -7.5582      1.00000
      2      -6.5589      1.00000
      3      -4.1714      1.00000
      4      -3.0287      1.00000
      5       0.4201      1.00000
      6       1.5407      1.00000
      7       1.8166      1.00000
      8       2.3278      1.00000
      9       3.1264      1.00000
     10       3.8683      1.00000
     11       5.1714      0.00000
     12       6.2743      0.00000
     13       6.6761      0.00000
     14       8.3429      0.00000
     15       8.5080      0.00000
     16       9.2734      0.00000

 k-point  75 :       0.4444    0.1818    0.2857
  band No.  band energies     occupation 
      1      -7.1653      1.00000
      2      -6.7921      1.00000
      3      -3.9704      1.00000
      4      -3.5511      1.00000
      5       0.6767      1.00000
      6       1.1890      1.00000
      7       2.0005      1.00000
      8       2.5301      1.00000
      9       2.6935      1.00000
     10       3.2885      1.00000
     11       5.6094      0.00000
     12       6.1794      0.00000
     13       7.0581      0.00000
     14       7.7977      0.00000
     15       8.5953      0.00000
     16       8.9289      0.00000

 k-point  76 :       0.0000    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.9232      1.00000
      2      -6.5524      1.00000
      3      -4.2484      1.00000
      4      -2.6509      1.00000
      5       0.7876      1.00000
      6       1.8411      1.00000
      7       2.4705      1.00000
      8       2.7078      1.00000
      9       3.3734      1.00000
     10       3.7477      1.00000
     11       5.3403      0.00000
     12       5.9416      0.00000
     13       6.9587      0.00000
     14       7.2096      0.00000
     15       8.0662      0.00000
     16       9.5774      0.00000

 k-point  77 :       0.1111    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.8566      1.00000
      2      -6.5343      1.00000
      3      -4.2243      1.00000
      4      -2.6849      1.00000
      5       0.6789      1.00000
      6       1.4226      1.00000
      7       2.3344      1.00000
      8       2.7539      1.00000
      9       3.3714      1.00000
     10       3.7986      1.00000
     11       5.4111      0.00000
     12       5.8929      0.00000
     13       6.4857      0.00000
     14       8.1336      0.00000
     15       8.2419      0.00000
     16       9.5229      0.00000

 k-point  78 :       0.2222    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.6645      1.00000
      2      -6.5076      1.00000
      3      -4.1532      1.00000
      4      -2.8135      1.00000
      5       0.2565      1.00000
      6       1.3787      1.00000
      7       1.9507      1.00000
      8       2.0721      1.00000
      9       3.2580      1.00000
     10       3.9151      1.00000
     11       5.1969      0.00000
     12       6.2586      0.00000
     13       6.9155      0.00000
     14       8.3085      0.00000
     15       9.0574      0.00000
     16       9.3415      0.00000

 k-point  79 :       0.3333    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.3731      1.00000
      2      -6.5490      1.00000
      3      -4.0187      1.00000
      4      -3.0749      1.00000
      5      -0.0065      1.00000
      6       1.2892      1.00000
      7       1.6369      1.00000
      8       1.7638      1.00000
      9       2.8263      1.00000
     10       3.2805      1.00000
     11       5.7138      0.00000
     12       6.9443      0.00000
     13       7.1933      0.00000
     14       8.5561      0.00000
     15       9.0256      0.00000
     16       9.3074      0.00000

 k-point  80 :       0.4444    0.2727    0.2857
  band No.  band energies     occupation 
      1      -7.0341      1.00000
      2      -6.7300      1.00000
      3      -3.7780      1.00000
      4      -3.4333      1.00000
      5       0.1139      1.00000
      6       0.5834      1.00000
      7       1.9435      1.00000
      8       1.9937      1.00000
      9       2.4409      1.00000
     10       2.5226      1.00000
     11       6.3516      0.00000
     12       6.7588      0.00000
     13       7.9944      0.00000
     14       8.5980      0.00000
     15       8.8322      0.00000
     16       9.1180      0.00000

 k-point  81 :       0.0000    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.6064      1.00000
      2      -6.6437      1.00000
      3      -4.2971      1.00000
      4      -3.2095      1.00000
      5       0.9490      1.00000
      6       2.0671      1.00000
      7       2.2463      1.00000
      8       3.2007      1.00000
      9       3.5060      1.00000
     10       4.0100      1.00000
     11       4.8643      0.00000
     12       5.5537      0.00000
     13       6.1658      0.00000
     14       6.4927      0.00000
     15       8.1996      0.00000
     16       9.1918      0.00000

 k-point  82 :       0.1111    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.5485      1.00000
      2      -6.6259      1.00000
      3      -4.2373      1.00000
      4      -3.1925      1.00000
      5       0.7884      1.00000
      6       1.7906      1.00000
      7       1.9275      1.00000
      8       2.9627      1.00000
      9       3.3368      1.00000
     10       3.7876      1.00000
     11       5.2450      0.00000
     12       5.7026      0.00000
     13       6.1116      0.00000
     14       7.6023      0.00000
     15       8.2771      0.00000
     16       9.1881      0.00000

 k-point  83 :       0.2222    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.3845      1.00000
      2      -6.5912      1.00000
      3      -4.0691      1.00000
      4      -3.1657      1.00000
      5       0.2381      1.00000
      6       1.4153      1.00000
      7       1.6672      1.00000
      8       2.0857      1.00000
      9       2.8346      1.00000
     10       3.4705      1.00000
     11       5.5093      0.00000
     12       6.7102      0.00000
     13       6.9626      0.00000
     14       8.4981      0.00000
     15       8.6611      0.00000
     16       9.1983      0.00000

 k-point  84 :       0.3333    0.3636    0.2857
  band No.  band energies     occupation 
      1      -7.1457      1.00000
      2      -6.5918      1.00000
      3      -3.8261      1.00000
      4      -3.1927      1.00000
      5      -0.2322      1.00000
      6       0.6638      1.00000
      7       1.5315      1.00000
      8       1.8398      1.00000
      9       2.5818      1.00000
     10       2.6114      1.00000
     11       6.3310      0.00000
     12       7.0090      0.00000
     13       7.9579      0.00000
     14       8.8063      0.00000
     15       8.9895      0.00000
     16       9.4729      0.00000

 k-point  85 :       0.4444    0.3636    0.2857
  band No.  band energies     occupation 
      1      -6.8885      1.00000
      2      -6.6866      1.00000
      3      -3.5594      1.00000
      4      -3.3285      1.00000
      5      -0.3203      1.00000
      6       0.0126      1.00000
      7       1.4604      1.00000
      8       1.8092      1.00000
      9       2.1657      1.00000
     10       2.4014      1.00000
     11       6.8256      0.00000
     12       6.9979      0.00000
     13       8.6744      0.00000
     14       8.9512      0.00000
     15       9.1758      0.00000
     16       9.5100      0.00000

 k-point  86 :       0.0000    0.4545    0.2857
  band No.  band energies     occupation 
      1      -7.2455      1.00000
      2      -6.8961      1.00000
      3      -4.1106      1.00000
      4      -3.7217      1.00000
      5       1.2473      1.00000
      6       1.6378      1.00000
      7       2.7361      1.00000
      8       3.2389      1.00000
      9       3.6817      1.00000
     10       4.0308      1.00000
     11       4.9521      0.00000
     12       5.4672      0.00000
     13       5.4753      0.00000
     14       5.8654      0.00000
     15       8.4508      0.00000
     16       8.7965      0.00000

 k-point  87 :       0.1111    0.4545    0.2857
  band No.  band energies     occupation 
      1      -7.2003      1.00000
      2      -6.8664      1.00000
      3      -4.0452      1.00000
      4      -3.6723      1.00000
      5       1.0717      1.00000
      6       1.4742      1.00000
      7       2.2448      1.00000
      8       2.7630      1.00000
      9       3.3667      1.00000
     10       3.7648      1.00000
     11       5.1381      0.00000
     12       5.5165      0.00000
     13       6.3399      0.00000
     14       6.9421      0.00000
     15       8.5131      0.00000
     16       8.8313      0.00000

 k-point  88 :       0.2222    0.4545    0.2857
  band No.  band energies     occupation 
      1      -7.0766      1.00000
      2      -6.7918      1.00000
      3      -3.8617      1.00000
      4      -3.5407      1.00000
      5       0.4588      1.00000
      6       0.8740      1.00000
      7       2.0197      1.00000
      8       2.3236      1.00000
      9       2.4811      1.00000
     10       2.8761      1.00000
     11       6.0112      0.00000
     12       6.4392      0.00000
     13       7.5590      0.00000
     14       8.1370      0.00000
     15       8.7132      0.00000
     16       8.9595      0.00000

 k-point  89 :       0.3333    0.4545    0.2857
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -6.7147      1.00000
      3      -3.6065      1.00000
      4      -3.3821      1.00000
      5      -0.1798      1.00000
      6       0.1389      1.00000
      7       1.6148      1.00000
      8       1.9259      1.00000
      9       2.1786      1.00000
     10       2.3861      1.00000
     11       6.7393      0.00000
     12       6.9369      0.00000
     13       8.5419      0.00000
     14       8.8521      0.00000
     15       9.0796      0.00000
     16       9.3539      0.00000

 k-point  90 :       0.4444    0.4545    0.2857
  band No.  band energies     occupation 
      1      -6.7640      1.00000
      2      -6.6928      1.00000
      3      -3.3770      1.00000
      4      -3.2952      1.00000
      5      -0.5001      1.00000
      6      -0.3785      1.00000
      7       1.2733      1.00000
      8       1.4061      1.00000
      9       2.2646      1.00000
     10       2.3530      1.00000
     11       7.0030      0.00000
     12       7.0395      0.00000
     13       8.9856      0.00000
     14       9.0623      0.00000
     15       9.5562      0.00000
     16       9.7071      0.00000

 k-point  91 :       0.0000    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.9308      1.00000
      2      -7.3478      1.00000
      3      -3.2011      1.00000
      4      -2.4689      1.00000
      5       1.7203      1.00000
      6       1.7203      1.00000
      7       2.2819      1.00000
      8       2.2819      1.00000
      9       2.6200      1.00000
     10       3.6178      1.00000
     11       7.4486      0.00000
     12       7.4486      0.00000
     13       7.4486      0.00000
     14       8.1120      0.00000
     15       8.1120      0.00000
     16       8.4805      0.00000

 k-point  92 :       0.1111    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.8600      1.00000
      2      -7.2882      1.00000
      3      -3.3577      1.00000
      4      -2.6573      1.00000
      5       1.6791      1.00000
      6       1.8087      1.00000
      7       2.3320      1.00000
      8       2.3666      1.00000
      9       2.8047      1.00000
     10       3.6590      1.00000
     11       6.9992      0.00000
     12       7.0678      0.00000
     13       7.5839      0.00000
     14       7.6580      0.00000
     15       7.7008      0.00000
     16       8.5168      0.00000

 k-point  93 :       0.2222    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.6569      1.00000
      2      -7.1272      1.00000
      3      -3.7541      1.00000
      4      -3.1387      1.00000
      5       1.7120      1.00000
      6       2.0693      1.00000
      7       2.4838      1.00000
      8       2.6116      1.00000
      9       3.1853      1.00000
     10       3.7087      1.00000
     11       6.2282      0.00000
     12       6.4391      0.00000
     13       6.8095      0.00000
     14       6.8657      0.00000
     15       7.4079      0.00000
     16       8.2987      0.00000

 k-point  94 :       0.3333    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.3549      1.00000
      2      -6.9340      1.00000
      3      -4.1965      1.00000
      4      -3.7298      1.00000
      5       1.9238      1.00000
      6       2.4824      1.00000
      7       2.6626      1.00000
      8       2.9717      1.00000
      9       3.5802      1.00000
     10       3.6829      1.00000
     11       5.3451      0.00000
     12       5.8519      0.00000
     13       5.9705      0.00000
     14       6.0871      0.00000
     15       7.1593      0.00000
     16       7.8788      0.00000

 k-point  95 :       0.4444    0.0000    0.4286
  band No.  band energies     occupation 
      1      -7.0365      1.00000
      2      -6.8613      1.00000
      3      -4.4175      1.00000
      4      -4.2282      1.00000
      5       2.2708      1.00000
      6       2.6051      1.00000
      7       2.9746      1.00000
      8       3.2353      1.00000
      9       3.7396      1.00000
     10       3.8139      1.00000
     11       4.7947      0.00000
     12       5.0602      0.00000
     13       5.6020      0.00000
     14       5.6369      0.00000
     15       7.1450      0.00000
     16       7.4350      0.00000

 k-point  96 :       0.0000    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.8833      1.00000
      2      -7.3076      1.00000
      3      -3.3074      1.00000
      4      -2.5968      1.00000
      5       1.6876      1.00000
      6       1.7795      1.00000
      7       2.3152      1.00000
      8       2.3387      1.00000
      9       2.7490      1.00000
     10       3.6471      1.00000
     11       7.0965      0.00000
     12       7.1857      0.00000
     13       7.5861      0.00000
     14       7.7819      0.00000
     15       7.8273      0.00000
     16       8.5238      0.00000

 k-point  97 :       0.1111    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.8136      1.00000
      2      -7.2494      1.00000
      3      -3.4384      1.00000
      4      -2.7555      1.00000
      5       1.4727      1.00000
      6       1.9661      1.00000
      7       2.0452      1.00000
      8       2.6902      1.00000
      9       2.9914      1.00000
     10       3.7029      1.00000
     11       6.4096      0.00000
     12       6.9375      0.00000
     13       7.4099      0.00000
     14       7.5102      0.00000
     15       8.1427      0.00000
     16       8.4084      0.00000

 k-point  98 :       0.2222    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.6140      1.00000
      2      -7.0930      1.00000
      3      -3.7819      1.00000
      4      -3.1787      1.00000
      5       1.3756      1.00000
      6       1.9887      1.00000
      7       2.2170      1.00000
      8       2.9864      1.00000
      9       3.4477      1.00000
     10       3.7553      1.00000
     11       5.6705      0.00000
     12       5.9662      0.00000
     13       6.9883      0.00000
     14       7.4424      0.00000
     15       7.6277      0.00000
     16       8.2776      0.00000

 k-point  99 :       0.3333    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.3184      1.00000
      2      -6.9070      1.00000
      3      -4.1782      1.00000
      4      -3.7219      1.00000
      5       1.5407      1.00000
      6       2.1727      1.00000
      7       2.5548      1.00000
      8       3.0809      1.00000
      9       3.5766      1.00000
     10       3.7314      1.00000
     11       5.2720      0.00000
     12       5.3379      0.00000
     13       6.4961      0.00000
     14       6.8841      0.00000
     15       7.2125      0.00000
     16       7.9185      0.00000

 k-point 100 :       0.4444    0.0909    0.4286
  band No.  band energies     occupation 
      1      -7.0089      1.00000
      2      -6.8391      1.00000
      3      -4.3758      1.00000
      4      -4.1920      1.00000
      5       1.9238      1.00000
      6       2.3071      1.00000
      7       2.9455      1.00000
      8       3.0104      1.00000
      9       3.2983      1.00000
     10       3.4298      1.00000
     11       5.3108      0.00000
     12       5.4520      0.00000
     13       6.0341      0.00000
     14       6.2031      0.00000
     15       7.1999      0.00000
     16       7.4926      0.00000

 k-point 101 :       0.0000    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.7447      1.00000
      2      -7.1946      1.00000
      3      -3.5924      1.00000
      4      -2.9405      1.00000
      5       1.6805      1.00000
      6       1.9553      1.00000
      7       2.4182      1.00000
      8       2.5054      1.00000
      9       3.0381      1.00000
     10       3.6979      1.00000
     11       6.5567      0.00000
     12       6.6399      0.00000
     13       7.1573      0.00000
     14       7.1658      0.00000
     15       7.4968      0.00000
     16       8.4102      0.00000

 k-point 102 :       0.1111    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.6784      1.00000
      2      -7.1409      1.00000
      3      -3.6635      1.00000
      4      -3.0323      1.00000
      5       1.2955      1.00000
      6       1.8843      1.00000
      7       2.1560      1.00000
      8       2.9625      1.00000
      9       3.3764      1.00000
     10       3.7697      1.00000
     11       5.7824      0.00000
     12       6.1234      0.00000
     13       7.2250      0.00000
     14       7.5200      0.00000
     15       7.9793      0.00000
     16       8.3261      0.00000

 k-point 103 :       0.2222    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.4897      1.00000
      2      -6.9983      1.00000
      3      -3.8686      1.00000
      4      -3.3062      1.00000
      5       0.9453      1.00000
      6       1.5340      1.00000
      7       2.3835      1.00000
      8       3.1161      1.00000
      9       3.6327      1.00000
     10       3.7772      1.00000
     11       5.3453      0.00000
     12       5.5196      0.00000
     13       7.2239      0.00000
     14       7.6237      0.00000
     15       7.9774      0.00000
     16       8.3425      0.00000

 k-point 104 :       0.3333    0.1818    0.4286
  band No.  band energies     occupation 
      1      -7.2139      1.00000
      2      -6.8337      1.00000
      3      -4.1306      1.00000
      4      -3.7087      1.00000
      5       0.9270      1.00000
      6       1.5283      1.00000
      7       2.6522      1.00000
      8       2.6577      1.00000
      9       3.3694      1.00000
     10       3.4232      1.00000
     11       5.5105      0.00000
     12       5.9144      0.00000
     13       7.0904      0.00000
     14       7.4441      0.00000
     15       7.5228      0.00000
     16       8.1475      0.00000

 k-point 105 :       0.4444    0.1818    0.4286
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -6.7785      1.00000
      3      -4.2569      1.00000
      4      -4.0904      1.00000
      5       1.2391      1.00000
      6       1.6753      1.00000
      7       2.1240      1.00000
      8       2.5532      1.00000
      9       3.0461      1.00000
     10       3.2780      1.00000
     11       6.1069      0.00000
     12       6.3869      0.00000
     13       6.8323      0.00000
     14       7.0205      0.00000
     15       7.3790      0.00000
     16       7.7294      0.00000

 k-point 106 :       0.0000    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.5285      1.00000
      2      -7.0363      1.00000
      3      -3.9644      1.00000
      4      -3.4058      1.00000
      5       1.7864      1.00000
      6       2.2404      1.00000
      7       2.5731      1.00000
      8       2.7667      1.00000
      9       3.3712      1.00000
     10       3.7038      1.00000
     11       5.8129      0.00000
     12       6.2088      0.00000
     13       6.3668      0.00000
     14       6.4948      0.00000
     15       7.2838      0.00000
     16       8.1222      0.00000

 k-point 107 :       0.1111    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.4684      1.00000
      2      -6.9902      1.00000
      3      -3.9719      1.00000
      4      -3.4303      1.00000
      5       1.2964      1.00000
      6       1.9127      1.00000
      7       2.3917      1.00000
      8       3.0969      1.00000
      9       3.6765      1.00000
     10       3.7001      1.00000
     11       5.4309      0.00000
     12       5.4445      0.00000
     13       6.8945      0.00000
     14       7.3659      0.00000
     15       7.4557      0.00000
     16       8.1487      0.00000

 k-point 108 :       0.2222    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.2991      1.00000
      2      -6.8703      1.00000
      3      -4.0073      1.00000
      4      -3.5254      1.00000
      5       0.7053      1.00000
      6       1.2995      1.00000
      7       2.5688      1.00000
      8       2.7530      1.00000
      9       3.4558      1.00000
     10       3.4684      1.00000
     11       5.4780      0.00000
     12       5.9118      0.00000
     13       7.2247      0.00000
     14       7.6973      0.00000
     15       7.8131      0.00000
     16       8.4375      0.00000

 k-point 109 :       0.3333    0.2727    0.4286
  band No.  band energies     occupation 
      1      -7.0582      1.00000
      2      -6.7380      1.00000
      3      -4.0711      1.00000
      4      -3.7166      1.00000
      5       0.4447      1.00000
      6       1.0432      1.00000
      7       1.9015      1.00000
      8       2.4842      1.00000
      9       2.9259      1.00000
     10       3.4208      1.00000
     11       6.2371      0.00000
     12       6.6634      0.00000
     13       7.3675      0.00000
     14       7.6719      0.00000
     15       7.7943      0.00000
     16       8.5690      0.00000

 k-point 110 :       0.4444    0.2727    0.4286
  band No.  band energies     occupation 
      1      -6.8219      1.00000
      2      -6.6978      1.00000
      3      -4.0821      1.00000
      4      -3.9463      1.00000
      5       0.5924      1.00000
      6       1.0392      1.00000
      7       1.3071      1.00000
      8       1.7641      1.00000
      9       3.1232      1.00000
     10       3.3202      1.00000
     11       6.9357      0.00000
     12       7.0991      0.00000
     13       7.4586      0.00000
     14       7.5601      0.00000
     15       7.7718      0.00000
     16       8.2802      0.00000

 k-point 111 :       0.0000    0.3636    0.4286
  band No.  band energies     occupation 
      1      -7.2644      1.00000
      2      -6.8940      1.00000
      3      -4.2906      1.00000
      4      -3.8837      1.00000
      5       2.0091      1.00000
      6       2.6148      1.00000
      7       2.6832      1.00000
      8       3.0712      1.00000
      9       3.6702      1.00000
     10       3.6794      1.00000
     11       5.1404      0.00000
     12       5.6102      0.00000
     13       5.8657      0.00000
     14       5.9119      0.00000
     15       7.1227      0.00000
     16       7.7527      0.00000

 k-point 112 :       0.1111    0.3636    0.4286
  band No.  band energies     occupation 
      1      -7.2135      1.00000
      2      -6.8571      1.00000
      3      -4.2501      1.00000
      4      -3.8581      1.00000
      5       1.4871      1.00000
      6       2.0954      1.00000
      7       2.6744      1.00000
      8       2.9744      1.00000
      9       3.4497      1.00000
     10       3.6446      1.00000
     11       5.2330      0.00000
     12       5.4682      0.00000
     13       6.5279      0.00000
     14       6.8726      0.00000
     15       7.2035      0.00000
     16       7.8291      0.00000

 k-point 113 :       0.2222    0.3636    0.4286
  band No.  band energies     occupation 
      1      -7.0731      1.00000
      2      -6.7627      1.00000
      3      -4.1441      1.00000
      4      -3.8021      1.00000
      5       0.7204      1.00000
      6       1.3161      1.00000
      7       2.1168      1.00000
      8       2.6390      1.00000
      9       2.9701      1.00000
     10       3.3956      1.00000
     11       6.0069      0.00000
     12       6.4148      0.00000
     13       7.2419      0.00000
     14       7.5274      0.00000
     15       7.5513      0.00000
     16       8.2576      0.00000

 k-point 114 :       0.3333    0.3636    0.4286
  band No.  band energies     occupation 
      1      -6.8819      1.00000
      2      -6.6608      1.00000
      3      -4.0125      1.00000
      4      -3.7690      1.00000
      5       0.2162      1.00000
      6       0.8174      1.00000
      7       1.1946      1.00000
      8       1.8155      1.00000
      9       3.0483      1.00000
     10       3.4056      1.00000
     11       6.9280      0.00000
     12       7.1872      0.00000
     13       7.6571      0.00000
     14       7.7300      0.00000
     15       7.9145      0.00000
     16       8.7421      0.00000

 k-point 115 :       0.4444    0.3636    0.4286
  band No.  band energies     occupation 
      1      -6.7076      1.00000
      2      -6.6256      1.00000
      3      -3.8932      1.00000
      4      -3.8031      1.00000
      5       0.1344      1.00000
      6       0.4871      1.00000
      7       0.7520      1.00000
      8       1.1131      1.00000
      9       3.2272      1.00000
     10       3.3574      1.00000
     11       7.4689      0.00000
     12       7.4905      0.00000
     13       7.7325      0.00000
     14       7.9343      0.00000
     15       8.3742      0.00000
     16       8.7648      0.00000

 k-point 116 :       0.0000    0.4545    0.4286
  band No.  band energies     occupation 
      1      -7.0118      1.00000
      2      -6.8668      1.00000
      3      -4.4179      1.00000
      4      -4.2614      1.00000
      5       2.3050      1.00000
      6       2.5820      1.00000
      7       3.0161      1.00000
      8       3.2361      1.00000
      9       3.7525      1.00000
     10       3.8188      1.00000
     11       4.7819      0.00000
     12       5.0059      0.00000
     13       5.5835      0.00000
     14       5.6160      0.00000
     15       7.1603      0.00000
     16       7.3996      0.00000

 k-point 117 :       0.1111    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.9721      1.00000
      2      -6.8339      1.00000
      3      -4.3549      1.00000
      4      -4.2054      1.00000
      5       1.8241      1.00000
      6       2.1620      1.00000
      7       2.8383      1.00000
      8       2.9638      1.00000
      9       3.2261      1.00000
     10       3.2521      1.00000
     11       5.5014      0.00000
     12       5.6807      0.00000
     13       6.1690      0.00000
     14       6.3466      0.00000
     15       7.2440      0.00000
     16       7.4887      0.00000

 k-point 118 :       0.2222    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.8656      1.00000
      2      -6.7485      1.00000
      3      -4.1804      1.00000
      4      -4.0529      1.00000
      5       0.9735      1.00000
      6       1.3566      1.00000
      7       1.7467      1.00000
      8       2.1354      1.00000
      9       3.0943      1.00000
     10       3.2781      1.00000
     11       6.5464      0.00000
     12       6.7728      0.00000
     13       7.1622      0.00000
     14       7.2345      0.00000
     15       7.5440      0.00000
     16       7.9033      0.00000

 k-point 119 :       0.3333    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.7301      1.00000
      2      -6.6498      1.00000
      3      -3.9457      1.00000
      4      -3.8577      1.00000
      5       0.2816      1.00000
      6       0.6135      1.00000
      7       0.9158      1.00000
      8       1.2557      1.00000
      9       3.2097      1.00000
     10       3.3369      1.00000
     11       7.3817      0.00000
     12       7.3843      0.00000
     13       7.6458      0.00000
     14       7.8294      0.00000
     15       8.2315      0.00000
     16       8.6062      0.00000

 k-point 120 :       0.4444    0.4545    0.4286
  band No.  band energies     occupation 
      1      -6.6226      1.00000
      2      -6.5937      1.00000
      3      -3.7536      1.00000
      4      -3.7218      1.00000
      5      -0.0498      1.00000
      6       0.0803      1.00000
      7       0.5565      1.00000
      8       0.6896      1.00000
      9       3.3146      1.00000
     10       3.3603      1.00000
     11       7.6585      0.00000
     12       7.6740      0.00000
     13       7.9721      0.00000
     14       8.0356      0.00000
     15       8.8014      0.00000
     16       8.9382      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
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 28.724  35.829   0.000  -0.020   0.000   0.000  -0.031   0.000
 35.829  44.697   0.000  -0.024   0.000   0.000  -0.038   0.000
  0.000   0.000   6.376  -0.000  -0.000   9.860  -0.000  -0.000
 -0.020  -0.024  -0.000   6.373  -0.000  -0.000   9.856  -0.000
  0.000   0.000  -0.000  -0.000   6.376  -0.000  -0.000   9.860
  0.000   0.000   9.860  -0.000  -0.000  15.268  -0.000  -0.000
 -0.031  -0.038  -0.000   9.856  -0.000  -0.000  15.261  -0.000
  0.000   0.000  -0.000  -0.000   9.860  -0.000  -0.000  15.268
 pseudopotential strength for first ion, spin component:           2
 28.724  35.829   0.000  -0.020   0.000   0.000  -0.031   0.000
 35.829  44.697   0.000  -0.024   0.000   0.000  -0.038   0.000
  0.000   0.000   6.376  -0.000  -0.000   9.860  -0.000  -0.000
 -0.020  -0.024  -0.000   6.373  -0.000  -0.000   9.856  -0.000
  0.000   0.000  -0.000  -0.000   6.376  -0.000  -0.000   9.860
  0.000   0.000   9.860  -0.000  -0.000  15.268  -0.000  -0.000
 -0.031  -0.038  -0.000   9.856  -0.000  -0.000  15.261  -0.000
  0.000   0.000  -0.000  -0.000   9.860  -0.000  -0.000  15.268
 total augmentation occupancy for first ion, spin component:           1
  5.766  -3.117   0.000  -1.868   0.000   0.000   0.630  -0.000
 -3.117   2.540  -0.000   1.529   0.000  -0.000  -0.439  -0.000
 -0.000   0.000   1.938   0.000  -0.000  -0.396   0.000   0.000
 -1.868   1.529   0.000   3.183   0.000   0.000  -0.880   0.000
  0.000  -0.000  -0.000   0.000   1.938   0.000   0.000  -0.396
 -0.000  -0.000  -0.396   0.000   0.000   0.100   0.000  -0.000
  0.630  -0.439   0.000  -0.880   0.000   0.000   0.284   0.000
 -0.000   0.000   0.000   0.000  -0.396  -0.000   0.000   0.100
 total augmentation occupancy for first ion, spin component:           2
 -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000
  0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000
  0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        1.121   1.225   0.000   2.347
  2        1.121   1.225   0.000   2.347
  3        1.121   1.225   0.000   2.347
  4        1.121   1.225   0.000   2.347
------------------------------------------------
tot        4.486   4.901   0.000   9.387
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1       -0.000  -0.000   0.000  -0.000
  2       -0.000  -0.000   0.000  -0.000
  3       -0.000  -0.000   0.000  -0.000
  4       -0.000  -0.000   0.000  -0.000
------------------------------------------------
tot       -0.000  -0.000   0.000  -0.000
 
    CHARGE:  cpu time    1.96: real time    2.13
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    1.97: real time    2.16
    STRESS:  cpu time    6.64: real time    7.20
    FORCOR:  cpu time    1.25: real time    1.25
    FORHAR:  cpu time    0.21: real time    0.33
    MIXING:  cpu time    0.37: real time    0.37

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    18.50793    18.50793    18.50793
  Ewald    -276.80943  -276.80943  -165.92838    -0.00000    -0.00000     0.00000
  Hartree    10.22571    10.22571    30.11830    -0.00000    -0.00000    -0.00000
  E(xc)     -64.78068   -64.78068   -64.95334     0.00000    -0.00000    -0.00000
  Local     -60.61395   -60.61395  -191.61092    -0.00000     0.00000     0.00000
  n-local   219.36053   219.34500   231.56316     0.38115    -0.26818    -0.27852
  augment   -43.31612   -43.31612   -44.68559     0.00000    -0.00000    -0.00000
  Kinetic   189.60687   189.63400   184.08870     6.33818     1.13167     1.10934
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -7.81334    -7.81334    -2.90016     0.00000     0.00000     0.00000
  in kB    -144.42987  -144.42987   -53.60958     0.00000     0.00000     0.00000
  external pressure =     -114.16 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      550.00
  volume of cell :       86.67
      direct lattice vectors                 reciprocal lattice vectors
     4.061634800  0.000000000  0.000000000     0.246206281  0.000000000  0.000000000
     0.000000000  4.061634800  0.000000000     0.000000000  0.246206281  0.000000000
     0.000000000  0.000000000  5.253980800     0.000000000  0.000000000  0.190331872

  length of vectors
     4.061634800  4.061634800  5.253980800     0.246206281  0.246206281  0.190331872


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.402E-14 -.339E-14 -.245E+02   -.933E-15 -.284E-14 0.268E+02   0.520E-17 0.694E-17 -.277E+01   0.382E-14 0.169E-14 -.652E-04
   -.481E-14 -.536E-14 0.245E+02   -.127E-14 0.197E-14 -.268E+02   -.694E-17 0.156E-16 0.277E+01   0.184E-14 0.118E-14 0.652E-04
   0.107E-14 0.295E-14 -.245E+02   0.135E-14 -.206E-14 0.268E+02   0.520E-17 -.104E-16 -.277E+01   0.117E-14 0.126E-14 -.652E-04
   0.400E-14 0.171E-13 0.245E+02   0.995E-15 0.273E-14 -.268E+02   0.000E+00 -.520E-17 0.277E+01   -.767E-15 0.178E-14 0.652E-04
 -----------------------------------------------------------------------------------------------
   -.376E-14 0.113E-13 -.138E-12   0.141E-15 -.196E-15 0.355E-14   0.347E-17 0.694E-17 0.000E+00   0.606E-14 0.590E-14 0.138E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      3.71896        -0.000000      0.000000     -0.484637
      0.00000      0.00000      1.53502         0.000000      0.000000      0.484637
      2.03082      2.03082      1.09197         0.000000     -0.000000     -0.484637
      2.03082      2.03082      4.16201        -0.000000     -0.000000      0.484637
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -19.67197403 eV

  energy  without entropy=      -19.67187888  energy(sigma->0) =      -19.67192646
 


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


    POTLOK:  cpu time    1.06: real time    1.16


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


 writing wavefunctions
     LOOP+:  cpu time 1677.90: real time 1985.64
    4ORBIT:  cpu time    0.00: real time    0.00
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        1.121   1.225   0.000   2.347
  2        1.121   1.225   0.000   2.347
  3        1.121   1.225   0.000   2.347
  4        1.121   1.225   0.000   2.347
------------------------------------------------
tot        4.486   4.901   0.000   9.387
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1       -0.000  -0.000   0.000  -0.000
  2       -0.000  -0.000   0.000  -0.000
  3       -0.000  -0.000   0.000  -0.000
  4       -0.000  -0.000   0.000  -0.000
------------------------------------------------
tot       -0.000  -0.000   0.000  -0.000
 

 total amount of memory used by VASP on root node    46769. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       4987. kBytes
   fftplans  :        734. kBytes
   grid      :       1028. kBytes
   one-center:          6. kBytes
   wavefun   :      10014. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     1703.265
                            User time (sec):     1702.009
                          System time (sec):        1.256
                         Elapsed time (sec):     2015.637
  
                   Maximum memory used (kb):       63364.
                   Average memory used (kb):           0.
  
                          Minor page faults:        68004
                          Major page faults:            7
                 Voluntary context switches:         1989
