 vasp.6.4.2 20Jul23 (build Feb 12 2024 12:37:35) complex                        
  
 executed on             LinuxIFC date 2025.02.18  20:38:26
 running   48 mpi-ranks, on    2 nodes
 distrk:  each k-point on   48 cores,    1 groups
 distr:  one band on NCORE=   8 cores,    6 groups


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


 INCAR:
   SYSTEM = AuSi2
   ICHARG = 11
   ISMEAR = 1
   SIGMA = 0.2
   ENMAX = 350
   IBRION = 2
   ISIF = 4
   NSW = 0
   NELM = 100
   EDIFF = 0.1E-06
   LREAL = .FALSE.
   ISYM = 0
   ISPIN = 1
   LORBIT = 11
   NCORE = 8
   LMAXMIX = 4
   PREC = Accurate
   LCORR = .TRUE.
   GGA = PS
   LWAVE = .FALSE.
   LCHARG = .FALSE.

 POTCAR:   PAW_PBE H 15Jun2001                    
 POTCAR:   PAW_PBE Si 05Jan2001                   
 POTCAR:    PAW_PBE Au 04Oct2007                  
 POTCAR:   PAW_PBE H 15Jun2001                    
   VRHFIN =H: ultrasoft test                                                                        
   LEXCH  = PE                                                                                      
   EATOM  =    12.4884 eV,     .9179 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE H 15Jun2001                                                                     
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =     .000    partial core radius                                                         
   POMASS =    1.000; ZVAL   =    1.000    mass and valenz                                          
   RCORE  =    1.100    outmost cutoff radius                                                       
   RWIGS  =     .700; RWIGS  =     .370    wigner-seitz radius (au A)                               
   ENMAX  =  250.000; ENMIN  =  200.000 eV                                                          
   RCLOC  =     .701    cutoff for local pot                                                        
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  400.000                                                                                
   RMAX   =    2.174    core radius for proj-oper                                                   
   RAUG   =    1.200    factor for augmentation sphere                                              
   RDEP   =    1.112    radius for radial grids                                                     
   QCUT   =   -5.749; QGAM   =   11.498    optimization parameters                                  
                                                                                                    
   Description                                                                                      
     l     E      TYP  RCUT    TYP  RCUT                                                            
     0   .000     23  1.100                                                                         
     0   .500     23  1.100                                                                         
     1  -.300     23  1.100                                                                         
  local pseudopotential 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
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:   PAW_PBE Si 05Jan2001                   
   VRHFIN =Si: s2p2                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =   103.0669 eV,    7.5752 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Si 05Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   28.085; ZVAL   =    4.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.480; RWIGS  =    1.312    wigner-seitz radius (au A)                               
   ENMAX  =  245.345; ENMIN  =  184.009 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  322.069                                                                                
   DEXC   =    -.007                                                                                
   RMAX   =    2.944    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.993    radius for radial grids                                                     
   QCUT   =   -4.246; QGAM   =    8.493    optimization parameters                                  
                                                                                                    
   Description                                                                                      
     l     E      TYP  RCUT    TYP  RCUT                                                            
     0   .000     23  1.900                                                                         
     0   .000     23  1.900                                                                         
     1   .000     23  1.900                                                                         
     1   .000     23  1.900                                                                         
     2   .000      7  1.900                                                                         
  local pseudopotential read in
  partial core-charges 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
 
 POTCAR:    PAW_PBE Au 04Oct2007                  
   VRHFIN =Au: s1d10                                                                                
   LEXCH  = PE                                                                                      
   EATOM  =   926.0865 eV,   68.0654 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Au 04Oct2007                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    2.330    partial core radius                                                         
   POMASS =  196.966; ZVAL   =   11.000    mass and valenz                                          
   RCORE  =    2.500    outmost cutoff radius                                                       
   RWIGS  =    2.840; RWIGS  =    1.503    wigner-seitz radius (au A)                               
   ENMAX  =  229.943; ENMIN  =  172.457 eV                                                          
   ICORE  =        3    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  356.670                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    3.041    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    2.598    radius for radial grids                                                     
   QCUT   =   -4.111; QGAM   =    8.222    optimization parameters                                  
                                                                                                    
   Description                                                                                      
     l     E      TYP  RCUT    TYP  RCUT                                                            
     2    -6.88     23  2.500                                                                       
     2    -8.24     23  2.500                                                                       
     0    -5.76     23  2.500                                                                       
     0    -0.85     23  2.500                                                                       
     1    -2.72     23  2.500                                                                       
     1    27.21     23  2.500                                                                       
     3    -1.36     23  2.500                                                                       
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You have a (more or less) 'large supercell' and for larger cells it     |
|     might be more efficient to use real-space projection operators.         |
|     Therefore, try LREAL= Auto in the INCAR file.                           |
|     Mind: If you want to do very accurate calculations, keep the            |
|     reciprocal projection scheme (i.e. LREAL=.FALSE.).                      |
|                                                                             |
 -----------------------------------------------------------------------------

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

 PAW_PBE H 15Jun2001                    :
 energy of atom  1       EATOM=  -12.4884
 kinetic energy error for atom=    0.0203 (will be added to EATOM!!)
 PAW_PBE Si 05Jan2001                   :
 energy of atom  2       EATOM= -103.0669
 kinetic energy error for atom=    0.0013 (will be added to EATOM!!)
  PAW_PBE Au 04Oct2007                  :
 energy of atom  3       EATOM= -926.0865
 kinetic energy error for atom=    0.0152 (will be added to EATOM!!)
 
 
 POSCAR: AuSi2Co_hex
  positions in direct lattice
  velocities in cartesian coordinates
 exchange correlation table for  LEXCH =       14
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.167  0.166  0.103-   6 1.51
   2  0.167  0.667  0.103-   8 1.51
   3  0.668  0.166  0.103-  10 1.51
   4  0.667  0.666  0.106-  12 1.53
   5  0.000  0.000  0.185-  10 2.42   8 2.42   6 2.42  13 2.65  14 2.65  15 2.65
   6  0.167  0.167  0.153-   1 1.51   9 2.35   7 2.35   5 2.42  13 3.09
   7  0.006  0.497  0.180-   6 2.35   8 2.35  12 2.36  23 2.43
   8  0.167  0.666  0.153-   2 1.51  11 2.35   7 2.35   5 2.42  14 3.09
   9  0.497  0.005  0.180-   6 2.35  10 2.35  12 2.36  22 2.43
  10  0.666  0.167  0.153-   3 1.51  11 2.35   9 2.35   5 2.42  15 3.09
  11  0.497  0.497  0.180-   8 2.35  10 2.35  12 2.36  24 2.43
  12  0.667  0.666  0.157-   4 1.53   7 2.36   9 2.36  11 2.36
  13  0.123  0.123  0.254-  23 2.51  22 2.51  25 2.58   5 2.65  14 2.85  15 2.85  19 2.86  17 2.86
                             6 3.09
  14  0.123  0.753  0.254-  23 2.51  24 2.51  25 2.58   5 2.65  13 2.85  15 2.85  16 2.86  21 2.86
                             8 3.09
  15  0.753  0.124  0.254-  22 2.51  24 2.51  25 2.58   5 2.65  13 2.85  14 2.85  20 2.86  18 2.86
                            10 3.09
  16  0.008  0.654  0.337-  19 2.44  21 2.53  23 2.58  26 2.59  25 2.67  20 2.72  14 2.86
  17  0.337  0.008  0.337-  20 2.44  19 2.53  22 2.58  26 2.59  25 2.67  21 2.72  13 2.86
  18  0.654  0.337  0.337-  21 2.44  20 2.53  24 2.58  26 2.59  25 2.67  19 2.72  15 2.86
  19  0.008  0.337  0.337-  16 2.44  17 2.53  23 2.58  26 2.59  25 2.67  18 2.72  13 2.86
  20  0.654  0.008  0.337-  17 2.44  18 2.53  22 2.58  26 2.59  25 2.67  16 2.72  15 2.86
  21  0.337  0.654  0.337-  18 2.44  16 2.53  24 2.58  26 2.59  25 2.67  17 2.72  14 2.86
  22  0.485  0.030  0.261-   9 2.43  13 2.51  15 2.51  17 2.58  20 2.58  26 3.48  23 3.49  24 3.50

  23  0.030  0.485  0.261-   7 2.43  13 2.51  14 2.51  19 2.58  16 2.58  26 3.48  22 3.49  24 3.49

  24  0.485  0.485  0.261-  11 2.43  14 2.51  15 2.51  21 2.58  18 2.58  26 3.48  23 3.49  22 3.50

  25  1.000  1.000  0.320-  15 2.58  14 2.58  13 2.58  21 2.67  19 2.67  17 2.67  16 2.67  20 2.67
                            18 2.67
  26  0.667  0.667  0.344-  16 2.59  17 2.59  18 2.59  19 2.59  20 2.59  21 2.59  24 3.48  22 3.48
                            23 3.48
 

IMPORTANT INFORMATION: All symmetrisations will be switched off!
NOSYMM: (Re-)initialisation of all symmetry stuff for point group C_1.


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

                                     Primitive cell                                     

  volume of cell :    1533.3353

  direct lattice vectors                    reciprocal lattice vectors
     7.682324182  0.000000000  0.000000000     0.130168941 -0.075153073  0.000000000
     3.841162091  6.653087902  0.000000000     0.000000000  0.150306146  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors
     7.682324182  7.682324182 30.000000000     0.150306146  0.150306146  0.033333333

  position of ions in fractional coordinates (direct lattice)
     0.166630983  0.166094589  0.102581077
     0.166618770  0.667214396  0.102618010
     0.667774331  0.166073928  0.102680742
     0.666899136  0.666477450  0.106485056
     0.000000000  0.000000000  0.184857787
     0.167326690  0.166746384  0.152747782
     0.005869002  0.496994917  0.180167763
     0.167332012  0.665856804  0.152790487
     0.497459600  0.005381474  0.180211266
     0.666418375  0.166761971  0.152862874
     0.497474209  0.497033617  0.180237026
     0.666928466  0.666471369  0.157452525
     0.123294655  0.123400059  0.254009021
     0.123202367  0.752950393  0.254037151
     0.752671135  0.123540635  0.254108249
     0.008022830  0.654437729  0.336811923
     0.337156150  0.008142156  0.336854204
     0.654278027  0.337266038  0.336863029
     0.008057895  0.337206111  0.336832662
     0.654339225  0.008246489  0.336851645
     0.337044637  0.654473054  0.336871238
     0.484729568  0.029939861  0.261190347
     0.030012390  0.484748524  0.261157152
     0.484729525  0.485098422  0.261206360
     0.999921491  0.999936462  0.320214871
     0.666513197  0.666628815  0.344433553

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4
                 5           5
                 6           6
                 7           7
                 8           8
                 9           9
                10          10
                11          11
                12          12
                13          13
                14          14
                15          15
                16          16
                17          17
                18          18
                19          19
                20          20
                21          21
                22          22
                23          23
                24          24
                25          25
                26          26

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

 
 
 KPOINTS: kpoints for bandstructure M-G-K-M       

Interpolating k-points between supplied coordinates.

 Line segments in fractional coordinates (reciprocal lattice):
    0.500000  0.500000  0.000000  ...  0.000000  0.000000  0.000000
    0.000000  0.000000  0.000000  ...  0.666667  0.333333  0.000000
    0.666667  0.333333  0.000000  ...  0.500000  0.500000  0.000000

 Generated    32 points on each line segment, for a total of     96 k-points:

 Following reciprocal coordinates:
            Coordinates               Weight
  0.500000  0.500000  0.000000      0.010417
  0.483871  0.483871  0.000000      0.010417
  0.467742  0.467742  0.000000      0.010417
  0.451613  0.451613  0.000000      0.010417
  0.435484  0.435484  0.000000      0.010417
  0.419355  0.419355  0.000000      0.010417
  0.403226  0.403226  0.000000      0.010417
  0.387097  0.387097  0.000000      0.010417
  0.370968  0.370968  0.000000      0.010417
  0.354839  0.354839  0.000000      0.010417
  0.338710  0.338710  0.000000      0.010417
  0.322581  0.322581  0.000000      0.010417
  0.306452  0.306452  0.000000      0.010417
  0.290323  0.290323  0.000000      0.010417
  0.274194  0.274194  0.000000      0.010417
  0.258065  0.258065  0.000000      0.010417
  0.241935  0.241935  0.000000      0.010417
  0.225806  0.225806  0.000000      0.010417
  0.209677  0.209677  0.000000      0.010417
  0.193548  0.193548  0.000000      0.010417
  0.177419  0.177419  0.000000      0.010417
  0.161290  0.161290  0.000000      0.010417
  0.145161  0.145161  0.000000      0.010417
  0.129032  0.129032  0.000000      0.010417
  0.112903  0.112903  0.000000      0.010417
  0.096774  0.096774  0.000000      0.010417
  0.080645  0.080645  0.000000      0.010417
  0.064516  0.064516  0.000000      0.010417
  0.048387  0.048387  0.000000      0.010417
  0.032258  0.032258  0.000000      0.010417
  0.016129  0.016129  0.000000      0.010417
  0.000000  0.000000  0.000000      0.010417
  0.000000  0.000000  0.000000      0.010417
  0.021505  0.010753  0.000000      0.010417
  0.043011  0.021505  0.000000      0.010417
  0.064516  0.032258  0.000000      0.010417
  0.086021  0.043011  0.000000      0.010417
  0.107527  0.053763  0.000000      0.010417
  0.129032  0.064516  0.000000      0.010417
  0.150538  0.075269  0.000000      0.010417
  0.172043  0.086022  0.000000      0.010417
  0.193548  0.096774  0.000000      0.010417
  0.215054  0.107527  0.000000      0.010417
  0.236559  0.118280  0.000000      0.010417
  0.258064  0.129032  0.000000      0.010417
  0.279570  0.139785  0.000000      0.010417
  0.301075  0.150538  0.000000      0.010417
  0.322581  0.161290  0.000000      0.010417
  0.344086  0.172043  0.000000      0.010417
  0.365591  0.182796  0.000000      0.010417
  0.387097  0.193548  0.000000      0.010417
  0.408602  0.204301  0.000000      0.010417
  0.430107  0.215054  0.000000      0.010417
  0.451613  0.225806  0.000000      0.010417
  0.473118  0.236559  0.000000      0.010417
  0.494624  0.247312  0.000000      0.010417
  0.516129  0.258065  0.000000      0.010417
  0.537634  0.268817  0.000000      0.010417
  0.559140  0.279570  0.000000      0.010417
  0.580645  0.290323  0.000000      0.010417
  0.602150  0.301075  0.000000      0.010417
  0.623656  0.311828  0.000000      0.010417
  0.645161  0.322581  0.000000      0.010417
  0.666667  0.333333  0.000000      0.010417
  0.666667  0.333333  0.000000      0.010417
  0.661290  0.338710  0.000000      0.010417
  0.655914  0.344086  0.000000      0.010417
  0.650538  0.349462  0.000000      0.010417
  0.645161  0.354839  0.000000      0.010417
  0.639785  0.360215  0.000000      0.010417
  0.634409  0.365591  0.000000      0.010417
  0.629032  0.370968  0.000000      0.010417
  0.623656  0.376344  0.000000      0.010417
  0.618280  0.381720  0.000000      0.010417
  0.612903  0.387097  0.000000      0.010417
  0.607527  0.392473  0.000000      0.010417
  0.602150  0.397849  0.000000      0.010417
  0.596774  0.403226  0.000000      0.010417
  0.591398  0.408602  0.000000      0.010417
  0.586021  0.413978  0.000000      0.010417
  0.580645  0.419355  0.000000      0.010417
  0.575269  0.424731  0.000000      0.010417
  0.569892  0.430108  0.000000      0.010417
  0.564516  0.435484  0.000000      0.010417
  0.559140  0.440860  0.000000      0.010417
  0.553763  0.446237  0.000000      0.010417
  0.548387  0.451613  0.000000      0.010417
  0.543011  0.456989  0.000000      0.010417
  0.537634  0.462366  0.000000      0.010417
  0.532258  0.467742  0.000000      0.010417
  0.526882  0.473118  0.000000      0.010417
  0.521505  0.478495  0.000000      0.010417
  0.516129  0.483871  0.000000      0.010417
  0.510753  0.489247  0.000000      0.010417
  0.505376  0.494624  0.000000      0.010417
  0.500000  0.500000  0.000000      0.010417

 Following cartesian coordinates:
            Coordinates               Weight
  0.065084  0.037577  0.000000      0.010417
  0.062985  0.036364  0.000000      0.010417
  0.060885  0.035152  0.000000      0.010417
  0.058786  0.033940  0.000000      0.010417
  0.056686  0.032728  0.000000      0.010417
  0.054587  0.031516  0.000000      0.010417
  0.052487  0.030304  0.000000      0.010417
  0.050388  0.029092  0.000000      0.010417
  0.048288  0.027879  0.000000      0.010417
  0.046189  0.026667  0.000000      0.010417
  0.044089  0.025455  0.000000      0.010417
  0.041990  0.024243  0.000000      0.010417
  0.039890  0.023031  0.000000      0.010417
  0.037791  0.021819  0.000000      0.010417
  0.035691  0.020606  0.000000      0.010417
  0.033592  0.019394  0.000000      0.010417
  0.031492  0.018182  0.000000      0.010417
  0.029393  0.016970  0.000000      0.010417
  0.027293  0.015758  0.000000      0.010417
  0.025194  0.014546  0.000000      0.010417
  0.023094  0.013334  0.000000      0.010417
  0.020995  0.012121  0.000000      0.010417
  0.018895  0.010909  0.000000      0.010417
  0.016796  0.009697  0.000000      0.010417
  0.014696  0.008485  0.000000      0.010417
  0.012597  0.007273  0.000000      0.010417
  0.010497  0.006061  0.000000      0.010417
  0.008398  0.004849  0.000000      0.010417
  0.006298  0.003636  0.000000      0.010417
  0.004199  0.002424  0.000000      0.010417
  0.002099  0.001212  0.000000      0.010417
  0.000000  0.000000  0.000000      0.010417
  0.000000  0.000000  0.000000      0.010417
  0.002799  0.000000  0.000000      0.010417
  0.005599  0.000000  0.000000      0.010417
  0.008398  0.000000  0.000000      0.010417
  0.011197  0.000000  0.000000      0.010417
  0.013997  0.000000  0.000000      0.010417
  0.016796  0.000000  0.000000      0.010417
  0.019595  0.000000  0.000000      0.010417
  0.022395  0.000000  0.000000      0.010417
  0.025194  0.000000  0.000000      0.010417
  0.027993  0.000000  0.000000      0.010417
  0.030793  0.000000  0.000000      0.010417
  0.033592  0.000000  0.000000      0.010417
  0.036391  0.000000  0.000000      0.010417
  0.039191  0.000000  0.000000      0.010417
  0.041990  0.000000  0.000000      0.010417
  0.044789  0.000000  0.000000      0.010417
  0.047589  0.000000  0.000000      0.010417
  0.050388  0.000000  0.000000      0.010417
  0.053187  0.000000  0.000000      0.010417
  0.055987  0.000000  0.000000      0.010417
  0.058786  0.000000  0.000000      0.010417
  0.061585  0.000000  0.000000      0.010417
  0.064385  0.000000  0.000000      0.010417
  0.067184  0.000000  0.000000      0.010417
  0.069983  0.000000  0.000000      0.010417
  0.072783  0.000000  0.000000      0.010417
  0.075582  0.000000  0.000000      0.010417
  0.078381  0.000000  0.000000      0.010417
  0.081181  0.000000  0.000000      0.010417
  0.083980  0.000000  0.000000      0.010417
  0.086779  0.000000  0.000000      0.010417
  0.086779  0.000000  0.000000      0.010417
  0.086079  0.001212  0.000000      0.010417
  0.085380  0.002424  0.000000      0.010417
  0.084680  0.003636  0.000000      0.010417
  0.083980  0.004849  0.000000      0.010417
  0.083280  0.006061  0.000000      0.010417
  0.082580  0.007273  0.000000      0.010417
  0.081880  0.008485  0.000000      0.010417
  0.081181  0.009697  0.000000      0.010417
  0.080481  0.010909  0.000000      0.010417
  0.079781  0.012121  0.000000      0.010417
  0.079081  0.013334  0.000000      0.010417
  0.078381  0.014546  0.000000      0.010417
  0.077681  0.015758  0.000000      0.010417
  0.076982  0.016970  0.000000      0.010417
  0.076282  0.018182  0.000000      0.010417
  0.075582  0.019394  0.000000      0.010417
  0.074882  0.020606  0.000000      0.010417
  0.074182  0.021819  0.000000      0.010417
  0.073482  0.023031  0.000000      0.010417
  0.072783  0.024243  0.000000      0.010417
  0.072083  0.025455  0.000000      0.010417
  0.071383  0.026667  0.000000      0.010417
  0.070683  0.027879  0.000000      0.010417
  0.069983  0.029092  0.000000      0.010417
  0.069283  0.030304  0.000000      0.010417
  0.068584  0.031516  0.000000      0.010417
  0.067884  0.032728  0.000000      0.010417
  0.067184  0.033940  0.000000      0.010417
  0.066484  0.035152  0.000000      0.010417
  0.065784  0.036364  0.000000      0.010417
  0.065084  0.037577  0.000000      0.010417
 


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




 Dimension of arrays:
   k-points           NKPTS =     96   k-points in BZ     NKDIM =     96   number of bands    NBANDS=     78
   number of dos      NEDOS =    301   number of ions     NIONS =     26
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = 442368
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  17840
   dimension x,y,z NGX =    48 NGY =   48 NGZ =  192
   dimension x,y,z NGXF=    96 NGYF=   96 NGZF=  384
   support grid    NGXF=    96 NGYF=   96 NGZF=  384
   ions per type =               4  17   5
   NGX,Y,Z   is equivalent  to a cutoff of  10.39, 10.39, 10.64 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  20.77, 20.77, 21.28 a.u.

 SYSTEM =  AuSi2                                   
 POSCAR =  AuSi2Co_hex                             

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =     11    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  350.0 eV  25.72 Ry    5.07 a.u.  11.72 11.72 45.76*2*pi/ulx,y,z
   ENINI  =  350.0     initial cutoff
   ENAUG  =  400.0 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # 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   0.00000   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  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      4    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      0    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.135E-26a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =   1.00 28.09196.97
  Ionic Valenz
   ZVAL   =   1.00  4.00 11.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00
   NELECT =     127.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

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

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

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.32E-09  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      58.97       397.98
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.713615  1.348536  6.928709  0.509246
  Thomas-Fermi vector in A             =   1.801299
 
 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    PS    GGA type
   LEXCH   =    14    internal setting for exchange type
   LIBXC   =     F    Libxc                    
   VOSKOWN =     0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field
   LBONE     =     F  B-component reconstruction in AE one-centre
   LVGVCALC  =     T  calculate vGv susceptibility
   LVGVAPPL  =     F  apply vGv susceptibility instead of pGv for G=0

 Random number generation:
   RANDOM_GENERATOR = DEFAULT
   PCG_SEED         = not used


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


 Static calculation
 charge density and potential remain constant during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 no mixing
 using additional bands           14
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 WARNING: stress and forces are not correct
  (second derivative of E(xc) not defined)
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      350.00
  volume of cell :     1533.34
      direct lattice vectors                 reciprocal lattice vectors
     7.682324182  0.000000000  0.000000000     0.130168941 -0.075153073  0.000000000
     3.841162091  6.653087902  0.000000000     0.000000000  0.150306146  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors
     7.682324182  7.682324182 30.000000000     0.150306146  0.150306146  0.033333333


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      350.00
  volume of cell :     1533.34
      direct lattice vectors                 reciprocal lattice vectors
     7.682324182  0.000000000  0.000000000     0.130168941 -0.075153073  0.000000000
     3.841162091  6.653087902  0.000000000     0.000000000  0.150306146  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: kpoints for bandstructure M-G-K-M       
   0.06508447  0.03757654  0.00000000       0.010
   0.06298497  0.03636439  0.00000000       0.010
   0.06088547  0.03515224  0.00000000       0.010
   0.05878597  0.03394010  0.00000000       0.010
   0.05668647  0.03272795  0.00000000       0.010
   0.05458698  0.03151580  0.00000000       0.010
   0.05248748  0.03030366  0.00000000       0.010
   0.05038798  0.02909151  0.00000000       0.010
   0.04828848  0.02787937  0.00000000       0.010
   0.04618898  0.02666722  0.00000000       0.010
   0.04408948  0.02545507  0.00000000       0.010
   0.04198998  0.02424293  0.00000000       0.010
   0.03989048  0.02303078  0.00000000       0.010
   0.03779098  0.02181863  0.00000000       0.010
   0.03569148  0.02060649  0.00000000       0.010
   0.03359198  0.01939434  0.00000000       0.010
   0.03149249  0.01818220  0.00000000       0.010
   0.02939299  0.01697005  0.00000000       0.010
   0.02729349  0.01575790  0.00000000       0.010
   0.02519399  0.01454576  0.00000000       0.010
   0.02309449  0.01333361  0.00000000       0.010
   0.02099499  0.01212146  0.00000000       0.010
   0.01889549  0.01090932  0.00000000       0.010
   0.01679599  0.00969717  0.00000000       0.010
   0.01469649  0.00848502  0.00000000       0.010
   0.01259699  0.00727288  0.00000000       0.010
   0.01049750  0.00606073  0.00000000       0.010
   0.00839800  0.00484859  0.00000000       0.010
   0.00629850  0.00363644  0.00000000       0.010
   0.00419900  0.00242429  0.00000000       0.010
   0.00209950  0.00121215  0.00000000       0.010
   0.00000000  0.00000000  0.00000000       0.010
   0.00000000  0.00000000  0.00000000       0.010
   0.00279933  0.00000000  0.00000000       0.010
   0.00559866  0.00000000  0.00000000       0.010
   0.00839800  0.00000000  0.00000000       0.010
   0.01119733  0.00000000  0.00000000       0.010
   0.01399666  0.00000000  0.00000000       0.010
   0.01679599  0.00000000  0.00000000       0.010
   0.01959532  0.00000000  0.00000000       0.010
   0.02239465  0.00000000  0.00000000       0.010
   0.02519399  0.00000000  0.00000000       0.010
   0.02799332  0.00000000  0.00000000       0.010
   0.03079265  0.00000000  0.00000000       0.010
   0.03359198  0.00000000  0.00000000       0.010
   0.03639131  0.00000000  0.00000000       0.010
   0.03919064  0.00000000  0.00000000       0.010
   0.04198998  0.00000000  0.00000000       0.010
   0.04478931  0.00000000  0.00000000       0.010
   0.04758864  0.00000000  0.00000000       0.010
   0.05038797  0.00000000  0.00000000       0.010
   0.05318730  0.00000000  0.00000000       0.010
   0.05598664  0.00000000  0.00000000       0.010
   0.05878597  0.00000000  0.00000000       0.010
   0.06158530  0.00000000  0.00000000       0.010
   0.06438463  0.00000000  0.00000000       0.010
   0.06718396  0.00000000  0.00000000       0.010
   0.06998329  0.00000000  0.00000000       0.010
   0.07278263  0.00000000  0.00000000       0.010
   0.07558196  0.00000000  0.00000000       0.010
   0.07838129  0.00000000  0.00000000       0.010
   0.08118062  0.00000000  0.00000000       0.010
   0.08397995  0.00000000  0.00000000       0.010
   0.08677929  0.00000000  0.00000000       0.010
   0.08677929  0.00000000  0.00000000       0.010
   0.08607945  0.00121215  0.00000000       0.010
   0.08537962  0.00242430  0.00000000       0.010
   0.08467979  0.00363644  0.00000000       0.010
   0.08397995  0.00484859  0.00000000       0.010
   0.08328012  0.00606074  0.00000000       0.010
   0.08258029  0.00727288  0.00000000       0.010
   0.08188046  0.00848503  0.00000000       0.010
   0.08118062  0.00969717  0.00000000       0.010
   0.08048079  0.01090932  0.00000000       0.010
   0.07978096  0.01212147  0.00000000       0.010
   0.07908112  0.01333361  0.00000000       0.010
   0.07838129  0.01454576  0.00000000       0.010
   0.07768146  0.01575790  0.00000000       0.010
   0.07698163  0.01697005  0.00000000       0.010
   0.07628179  0.01818220  0.00000000       0.010
   0.07558196  0.01939434  0.00000000       0.010
   0.07488213  0.02060649  0.00000000       0.010
   0.07418230  0.02181864  0.00000000       0.010
   0.07348246  0.02303078  0.00000000       0.010
   0.07278263  0.02424293  0.00000000       0.010
   0.07208280  0.02545507  0.00000000       0.010
   0.07138296  0.02666722  0.00000000       0.010
   0.07068313  0.02787937  0.00000000       0.010
   0.06998330  0.02909151  0.00000000       0.010
   0.06928347  0.03030366  0.00000000       0.010
   0.06858363  0.03151581  0.00000000       0.010
   0.06788380  0.03272795  0.00000000       0.010
   0.06718397  0.03394010  0.00000000       0.010
   0.06648414  0.03515224  0.00000000       0.010
   0.06578430  0.03636439  0.00000000       0.010
   0.06508447  0.03757654  0.00000000       0.010
 
 k-points in reciprocal lattice and weights: kpoints for bandstructure M-G-K-M       
   0.50000000  0.50000000  0.00000000       0.010
   0.48387097  0.48387097  0.00000000       0.010
   0.46774194  0.46774194  0.00000000       0.010
   0.45161290  0.45161290  0.00000000       0.010
   0.43548387  0.43548387  0.00000000       0.010
   0.41935484  0.41935484  0.00000000       0.010
   0.40322581  0.40322581  0.00000000       0.010
   0.38709677  0.38709677  0.00000000       0.010
   0.37096774  0.37096774  0.00000000       0.010
   0.35483871  0.35483871  0.00000000       0.010
   0.33870968  0.33870968  0.00000000       0.010
   0.32258065  0.32258065  0.00000000       0.010
   0.30645161  0.30645161  0.00000000       0.010
   0.29032258  0.29032258  0.00000000       0.010
   0.27419355  0.27419355  0.00000000       0.010
   0.25806452  0.25806452  0.00000000       0.010
   0.24193548  0.24193548  0.00000000       0.010
   0.22580645  0.22580645  0.00000000       0.010
   0.20967742  0.20967742  0.00000000       0.010
   0.19354839  0.19354839  0.00000000       0.010
   0.17741935  0.17741935  0.00000000       0.010
   0.16129032  0.16129032  0.00000000       0.010
   0.14516129  0.14516129  0.00000000       0.010
   0.12903226  0.12903226  0.00000000       0.010
   0.11290323  0.11290323  0.00000000       0.010
   0.09677419  0.09677419  0.00000000       0.010
   0.08064516  0.08064516  0.00000000       0.010
   0.06451613  0.06451613  0.00000000       0.010
   0.04838710  0.04838710  0.00000000       0.010
   0.03225806  0.03225806  0.00000000       0.010
   0.01612903  0.01612903  0.00000000       0.010
   0.00000000  0.00000000  0.00000000       0.010
   0.00000000  0.00000000  0.00000000       0.010
   0.02150537  0.01075269  0.00000000       0.010
   0.04301075  0.02150538  0.00000000       0.010
   0.06451612  0.03225806  0.00000000       0.010
   0.08602150  0.04301075  0.00000000       0.010
   0.10752687  0.05376344  0.00000000       0.010
   0.12903225  0.06451613  0.00000000       0.010
   0.15053762  0.07526882  0.00000000       0.010
   0.17204299  0.08602150  0.00000000       0.010
   0.19354837  0.09677419  0.00000000       0.010
   0.21505374  0.10752688  0.00000000       0.010
   0.23655912  0.11827957  0.00000000       0.010
   0.25806449  0.12903226  0.00000000       0.010
   0.27956986  0.13978494  0.00000000       0.010
   0.30107524  0.15053763  0.00000000       0.010
   0.32258061  0.16129032  0.00000000       0.010
   0.34408599  0.17204301  0.00000000       0.010
   0.36559136  0.18279570  0.00000000       0.010
   0.38709674  0.19354839  0.00000000       0.010
   0.40860211  0.20430107  0.00000000       0.010
   0.43010748  0.21505376  0.00000000       0.010
   0.45161286  0.22580645  0.00000000       0.010
   0.47311823  0.23655914  0.00000000       0.010
   0.49462361  0.24731183  0.00000000       0.010
   0.51612898  0.25806451  0.00000000       0.010
   0.53763435  0.26881720  0.00000000       0.010
   0.55913973  0.27956989  0.00000000       0.010
   0.58064510  0.29032258  0.00000000       0.010
   0.60215048  0.30107527  0.00000000       0.010
   0.62365585  0.31182795  0.00000000       0.010
   0.64516123  0.32258064  0.00000000       0.010
   0.66666660  0.33333333  0.00000000       0.010
   0.66666660  0.33333333  0.00000000       0.010
   0.66129026  0.33870967  0.00000000       0.010
   0.65591392  0.34408602  0.00000000       0.010
   0.65053757  0.34946236  0.00000000       0.010
   0.64516123  0.35483871  0.00000000       0.010
   0.63978489  0.36021505  0.00000000       0.010
   0.63440855  0.36559140  0.00000000       0.010
   0.62903221  0.37096774  0.00000000       0.010
   0.62365586  0.37634408  0.00000000       0.010
   0.61827952  0.38172043  0.00000000       0.010
   0.61290318  0.38709677  0.00000000       0.010
   0.60752684  0.39247312  0.00000000       0.010
   0.60215050  0.39784946  0.00000000       0.010
   0.59677415  0.40322580  0.00000000       0.010
   0.59139781  0.40860215  0.00000000       0.010
   0.58602147  0.41397849  0.00000000       0.010
   0.58064513  0.41935484  0.00000000       0.010
   0.57526879  0.42473118  0.00000000       0.010
   0.56989245  0.43010753  0.00000000       0.010
   0.56451610  0.43548387  0.00000000       0.010
   0.55913976  0.44086021  0.00000000       0.010
   0.55376342  0.44623656  0.00000000       0.010
   0.54838708  0.45161290  0.00000000       0.010
   0.54301074  0.45698925  0.00000000       0.010
   0.53763439  0.46236559  0.00000000       0.010
   0.53225805  0.46774193  0.00000000       0.010
   0.52688171  0.47311828  0.00000000       0.010
   0.52150537  0.47849462  0.00000000       0.010
   0.51612903  0.48387097  0.00000000       0.010
   0.51075268  0.48924731  0.00000000       0.010
   0.50537634  0.49462366  0.00000000       0.010
   0.50000000  0.50000000  0.00000000       0.010
 
 position of ions in fractional coordinates (direct lattice) 
   0.16663098  0.16609459  0.10258108
   0.16661877  0.66721440  0.10261801
   0.66777433  0.16607393  0.10268074
   0.66689914  0.66647745  0.10648506
   0.00000000  0.00000000  0.18485779
   0.16732669  0.16674638  0.15274778
   0.00586900  0.49699492  0.18016776
   0.16733201  0.66585680  0.15279049
   0.49745960  0.00538147  0.18021127
   0.66641838  0.16676197  0.15286287
   0.49747421  0.49703362  0.18023703
   0.66692847  0.66647137  0.15745253
   0.12329465  0.12340006  0.25400902
   0.12320237  0.75295039  0.25403715
   0.75267113  0.12354063  0.25410825
   0.00802283  0.65443773  0.33681192
   0.33715615  0.00814216  0.33685420
   0.65427803  0.33726604  0.33686303
   0.00805789  0.33720611  0.33683266
   0.65433922  0.00824649  0.33685164
   0.33704464  0.65447305  0.33687124
   0.48472957  0.02993986  0.26119035
   0.03001239  0.48474852  0.26115715
   0.48472952  0.48509842  0.26120636
   0.99992149  0.99993646  0.32021487
   0.66651320  0.66662882  0.34443355
 
 position of ions in cartesian coordinates  (Angst):
   1.91810947  1.10504190  3.07743232
   3.84289805  4.43903602  3.07854029
   5.76797577  1.10490444  3.08042225
   7.68338327  4.43413306  3.19455167
   0.00000000  0.00000000  5.54573360
   1.92595777  1.10937835  4.58243345
   1.95412561  3.30655087  5.40503290
   3.84316267  4.43000385  4.58371460
   3.84231703  0.03580342  5.40633798
   5.76020176  1.10948205  4.58588623
   5.73094484  3.30680834  5.40711077
   7.68358524  4.43409260  4.72357576
   1.42118914  0.82099144  7.62027064
   3.83868503  5.00944515  7.62111454
   6.25680326  0.82192670  7.62324746
   2.57543538  4.35403174 10.10435768
   2.62141819  0.05417048 10.10562613
   6.32186942  2.24386060 10.10589086
   1.35716669  2.24346189 10.10497986
   5.05852215  0.05486461 10.10554934
   5.10322325  4.35426676 10.10613714
   3.83885354  0.19919253  7.83571040
   2.09256256  3.22507454  7.83471457
   5.58719102  3.22740244  7.83619079
  11.52263908  6.65266518  9.60644612
   7.68099979  4.43514011 10.33300660
 


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


 k-point   1 :   0.5000 0.5000 0.0000  plane waves:   22828
 k-point   2 :   0.4839 0.4839 0.0000  plane waves:   22810
 k-point   3 :   0.4677 0.4677 0.0000  plane waves:   22808
 k-point   4 :   0.4516 0.4516 0.0000  plane waves:   22814
 k-point   5 :   0.4355 0.4355 0.0000  plane waves:   22830
 k-point   6 :   0.4194 0.4194 0.0000  plane waves:   22824
 k-point   7 :   0.4032 0.4032 0.0000  plane waves:   22812
 k-point   8 :   0.3871 0.3871 0.0000  plane waves:   22794
 k-point   9 :   0.3710 0.3710 0.0000  plane waves:   22806
 k-point  10 :   0.3548 0.3548 0.0000  plane waves:   22790
 k-point  11 :   0.3387 0.3387 0.0000  plane waves:   22774
 k-point  12 :   0.3226 0.3226 0.0000  plane waves:   22780
 k-point  13 :   0.3065 0.3065 0.0000  plane waves:   22778
 k-point  14 :   0.2903 0.2903 0.0000  plane waves:   22780
 k-point  15 :   0.2742 0.2742 0.0000  plane waves:   22786
 k-point  16 :   0.2581 0.2581 0.0000  plane waves:   22782
 k-point  17 :   0.2419 0.2419 0.0000  plane waves:   22804
 k-point  18 :   0.2258 0.2258 0.0000  plane waves:   22804
 k-point  19 :   0.2097 0.2097 0.0000  plane waves:   22822
 k-point  20 :   0.1935 0.1935 0.0000  plane waves:   22816
 k-point  21 :   0.1774 0.1774 0.0000  plane waves:   22820
 k-point  22 :   0.1613 0.1613 0.0000  plane waves:   22824
 k-point  23 :   0.1452 0.1452 0.0000  plane waves:   22821
 k-point  24 :   0.1290 0.1290 0.0000  plane waves:   22823
 k-point  25 :   0.1129 0.1129 0.0000  plane waves:   22819
 k-point  26 :   0.0968 0.0968 0.0000  plane waves:   22827
 k-point  27 :   0.0806 0.0806 0.0000  plane waves:   22827
 k-point  28 :   0.0645 0.0645 0.0000  plane waves:   22817
 k-point  29 :   0.0484 0.0484 0.0000  plane waves:   22825
 k-point  30 :   0.0323 0.0323 0.0000  plane waves:   22825
 k-point  31 :   0.0161 0.0161 0.0000  plane waves:   22837
 k-point  32 :   0.0000 0.0000 0.0000  plane waves:   22837
 k-point  33 :   0.0000 0.0000 0.0000  plane waves:   22837
 k-point  34 :   0.0215 0.0108 0.0000  plane waves:   22829
 k-point  35 :   0.0430 0.0215 0.0000  plane waves:   22811
 k-point  36 :   0.0645 0.0323 0.0000  plane waves:   22811
 k-point  37 :   0.0860 0.0430 0.0000  plane waves:   22807
 k-point  38 :   0.1075 0.0538 0.0000  plane waves:   22811
 k-point  39 :   0.1290 0.0645 0.0000  plane waves:   22801
 k-point  40 :   0.1505 0.0753 0.0000  plane waves:   22811
 k-point  41 :   0.1720 0.0860 0.0000  plane waves:   22793
 k-point  42 :   0.1935 0.0968 0.0000  plane waves:   22803
 k-point  43 :   0.2151 0.1075 0.0000  plane waves:   22797
 k-point  44 :   0.2366 0.1183 0.0000  plane waves:   22801
 k-point  45 :   0.2581 0.1290 0.0000  plane waves:   22793
 k-point  46 :   0.2796 0.1398 0.0000  plane waves:   22799
 k-point  47 :   0.3011 0.1505 0.0000  plane waves:   22796
 k-point  48 :   0.3226 0.1613 0.0000  plane waves:   22808
 k-point  49 :   0.3441 0.1720 0.0000  plane waves:   22808
 k-point  50 :   0.3656 0.1828 0.0000  plane waves:   22782
 k-point  51 :   0.3871 0.1935 0.0000  plane waves:   22798
 k-point  52 :   0.4086 0.2043 0.0000  plane waves:   22790
 k-point  53 :   0.4301 0.2151 0.0000  plane waves:   22782
 k-point  54 :   0.4516 0.2258 0.0000  plane waves:   22784
 k-point  55 :   0.4731 0.2366 0.0000  plane waves:   22786
 k-point  56 :   0.4946 0.2473 0.0000  plane waves:   22780
 k-point  57 :   0.5161 0.2581 0.0000  plane waves:   22790
 k-point  58 :   0.5376 0.2688 0.0000  plane waves:   22768
 k-point  59 :   0.5591 0.2796 0.0000  plane waves:   22786
 k-point  60 :   0.5806 0.2903 0.0000  plane waves:   22772
 k-point  61 :   0.6022 0.3011 0.0000  plane waves:   22770
 k-point  62 :   0.6237 0.3118 0.0000  plane waves:   22792
 k-point  63 :   0.6452 0.3226 0.0000  plane waves:   22790
 k-point  64 :   0.6667 0.3333 0.0000  plane waves:   22770
 k-point  65 :   0.6667 0.3333 0.0000  plane waves:   22770
 k-point  66 :   0.6613 0.3387 0.0000  plane waves:   22786
 k-point  67 :   0.6559 0.3441 0.0000  plane waves:   22806
 k-point  68 :   0.6505 0.3495 0.0000  plane waves:   22808
 k-point  69 :   0.6452 0.3548 0.0000  plane waves:   22790
 k-point  70 :   0.6398 0.3602 0.0000  plane waves:   22786
 k-point  71 :   0.6344 0.3656 0.0000  plane waves:   22792
 k-point  72 :   0.6290 0.3710 0.0000  plane waves:   22804
 k-point  73 :   0.6237 0.3763 0.0000  plane waves:   22812
 k-point  74 :   0.6183 0.3817 0.0000  plane waves:   22816
 k-point  75 :   0.6129 0.3871 0.0000  plane waves:   22782
 k-point  76 :   0.6075 0.3925 0.0000  plane waves:   22790
 k-point  77 :   0.6022 0.3978 0.0000  plane waves:   22794
 k-point  78 :   0.5968 0.4032 0.0000  plane waves:   22792
 k-point  79 :   0.5914 0.4086 0.0000  plane waves:   22816
 k-point  80 :   0.5860 0.4140 0.0000  plane waves:   22800
 k-point  81 :   0.5806 0.4194 0.0000  plane waves:   22800
 k-point  82 :   0.5753 0.4247 0.0000  plane waves:   22778
 k-point  83 :   0.5699 0.4301 0.0000  plane waves:   22778
 k-point  84 :   0.5645 0.4355 0.0000  plane waves:   22778
 k-point  85 :   0.5591 0.4409 0.0000  plane waves:   22782
 k-point  86 :   0.5538 0.4462 0.0000  plane waves:   22794
 k-point  87 :   0.5484 0.4516 0.0000  plane waves:   22802
 k-point  88 :   0.5430 0.4570 0.0000  plane waves:   22810
 k-point  89 :   0.5376 0.4624 0.0000  plane waves:   22810
 k-point  90 :   0.5323 0.4677 0.0000  plane waves:   22818
 k-point  91 :   0.5269 0.4731 0.0000  plane waves:   22822
 k-point  92 :   0.5215 0.4785 0.0000  plane waves:   22830
 k-point  93 :   0.5161 0.4839 0.0000  plane waves:   22826
 k-point  94 :   0.5108 0.4892 0.0000  plane waves:   22818
 k-point  95 :   0.5054 0.4946 0.0000  plane waves:   22812
 k-point  96 :   0.5000 0.5000 0.0000  plane waves:   22828

 maximum and minimum number of plane-waves per node :      2880     2826

 maximum number of plane-waves:     22837
 maximum index in each direction: 
   IXMAX=   11   IYMAX=   11   IZMAX=   45
   IXMIN=  -12   IYMIN=  -12   IZMIN=  -45


 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 MPI-rank0   219750. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     120386. kBytes
   fftplans  :       4123. kBytes
   grid      :       6953. kBytes
   one-center:         62. kBytes
   wavefun   :      58226. kBytes
 
     INWAV:  cpu time     38.5475: real time     38.6057
 initial charge density was supplied:
 number of electron     127.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          734 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.154
 Maximum number of real-space cells 4x 4x 1
 Maximum number of reciprocal cells 2x 2x 6

    FEWALD:  cpu time      0.0033: real time      0.0033


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




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


    POTLOK:  cpu time      0.9174: real time      0.9189
    SETDIJ:  cpu time      0.0164: real time      0.0164
     EDDAV:  cpu time    184.9218: real time    185.3438
       DOS:  cpu time      0.0503: real time      0.0503
    --------------------------------------------
      LOOP:  cpu time    185.9059: real time    186.3295

 eigenvalue-minimisations  : 20034
 total energy-change (2. order) :-0.9765147E+02  (-0.1589199E+03)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.01296621
  eigenvalues    EBANDS =      -820.05478196
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -97.65147254 eV

  energy without entropy =      -97.63850634  energy(sigma->0) =      -97.64715048


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




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


     EDDAV:  cpu time    170.0443: real time    170.3807
       DOS:  cpu time      0.0584: real time      0.0590
    --------------------------------------------
      LOOP:  cpu time    170.1028: real time    170.4397

 eigenvalue-minimisations  : 17772
 total energy-change (2. order) :-0.1751817E+02  (-0.1710950E+02)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00556870
  eigenvalues    EBANDS =      -837.58035245
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.16964553 eV

  energy without entropy =     -115.16407683  energy(sigma->0) =     -115.16778930


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




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


     EDDAV:  cpu time    183.6629: real time    184.0490
       DOS:  cpu time      0.0501: real time      0.0501
    --------------------------------------------
      LOOP:  cpu time    183.7129: real time    184.0991

 eigenvalue-minimisations  : 19848
 total energy-change (2. order) :-0.4752140E+00  (-0.4731603E+00)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00621144
  eigenvalues    EBANDS =      -838.05492368
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.64485950 eV

  energy without entropy =     -115.63864806  energy(sigma->0) =     -115.64278902


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




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


     EDDAV:  cpu time    195.3155: real time    195.7758
       DOS:  cpu time      0.0536: real time      0.0536
    --------------------------------------------
      LOOP:  cpu time    195.3691: real time    195.8295

 eigenvalue-minimisations  : 21666
 total energy-change (2. order) :-0.1249740E-01  (-0.1249239E-01)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00621522
  eigenvalues    EBANDS =      -838.06741729
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.65735690 eV

  energy without entropy =     -115.65114167  energy(sigma->0) =     -115.65528515


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




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


     EDDAV:  cpu time    184.9892: real time    185.3523
       DOS:  cpu time      0.0545: real time      0.0546
    --------------------------------------------
      LOOP:  cpu time    185.0437: real time    185.4069

 eigenvalue-minimisations  : 20052
 total energy-change (2. order) :-0.3588841E-03  (-0.3588161E-03)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00621534
  eigenvalues    EBANDS =      -838.06777606
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.65771578 eV

  energy without entropy =     -115.65150044  energy(sigma->0) =     -115.65564400


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




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


     EDDAV:  cpu time    196.1119: real time    196.5281
       DOS:  cpu time      0.0532: real time      0.0533
    --------------------------------------------
      LOOP:  cpu time    196.1652: real time    196.5814

 eigenvalue-minimisations  : 21786
 total energy-change (2. order) :-0.2271587E-04  (-0.2271458E-04)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00621535
  eigenvalues    EBANDS =      -838.06779877
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.65773850 eV

  energy without entropy =     -115.65152315  energy(sigma->0) =     -115.65566671


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




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


     EDDAV:  cpu time    174.4472: real time    174.8146
       DOS:  cpu time      0.0583: real time      0.0588
    --------------------------------------------
      LOOP:  cpu time    174.5054: real time    174.8735

 eigenvalue-minimisations  : 18420
 total energy-change (2. order) :-0.1707642E-05  (-0.1707683E-05)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00621535
  eigenvalues    EBANDS =      -838.06780048
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.65774020 eV

  energy without entropy =     -115.65152486  energy(sigma->0) =     -115.65566842


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




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


     EDDAV:  cpu time    158.3372: real time    158.6780
       DOS:  cpu time      0.0508: real time      0.0509
    --------------------------------------------
      LOOP:  cpu time    158.3880: real time    158.7288

 eigenvalue-minimisations  : 15918
 total energy-change (2. order) :-0.1976168E-06  (-0.1976055E-06)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00621535
  eigenvalues    EBANDS =      -838.06780067
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.65774040 eV

  energy without entropy =     -115.65152506  energy(sigma->0) =     -115.65566862


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




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


     EDDAV:  cpu time    137.5500: real time    137.8279
       DOS:  cpu time      0.0563: real time      0.0564
    --------------------------------------------
      LOOP:  cpu time    137.6064: real time    137.8843

 eigenvalue-minimisations  : 12708
 total energy-change (2. order) :-0.3310561E-08  (-0.3288904E-08)
 number of electron     127.0000000 magnetization 
 augmentation part      127.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        56.50945575
  Ewald energy   TEWEN  =     34861.93860383
  -Hartree energ DENC   =    -40956.69113627
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -55.83523592
  PAW double counting   =      5474.81234978    -5092.01915130
  entropy T*S    EENTRO =        -0.00621535
  eigenvalues    EBANDS =      -838.06780068
  atomic energy  EATOM  =      6433.70138975
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.65774040 eV

  energy without entropy =     -115.65152506  energy(sigma->0) =     -115.65566862


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




 average (electrostatic) potential at core
  the test charge radii are     0.5201  0.9892  1.2098
  (the norm of the test charge is              1.0000)
       1 -37.3960       2 -37.3945       3 -37.3919       4 -37.2938       5 -90.7813
       6 -90.2549       7 -90.2623       8 -90.2548       9 -90.2629      10 -90.2537
      11 -90.2628      12 -90.1709      13 -91.1476      14 -91.1478      15 -91.1478
      16 -91.0545      17 -91.0540      18 -91.0535      19 -91.0544      20 -91.0539
      21 -91.0537      22 -75.7730      23 -75.7735      24 -75.7732      25 -76.3806
      26 -75.6867
 
 
 
 E-fermi :  -1.2943     XC(G=0):  -3.3624     alpha+bet : -3.5055

 Fermi energy:        -1.2942848592

 k-point     1 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1     -13.0969      2.00000
      2     -12.5683      2.00000
      3     -12.0146      2.00000
      4     -11.7794      2.00000
      5     -11.5523      2.00000
      6     -11.2306      2.00000
      7     -10.5945      2.00000
      8     -10.5532      2.00000
      9     -10.1305      2.00000
     10      -9.7943      2.00000
     11      -9.7350      2.00000
     12      -9.2900      2.00000
     13      -8.7686      2.00000
     14      -8.5606      2.00000
     15      -8.4331      2.00000
     16      -8.3070      2.00000
     17      -8.0283      2.00000
     18      -7.8158      2.00000
     19      -7.6678      2.00000
     20      -7.5890      2.00000
     21      -7.5345      2.00000
     22      -7.3700      2.00000
     23      -7.1802      2.00000
     24      -7.1790      2.00000
     25      -6.9874      2.00000
     26      -6.9711      2.00000
     27      -6.7893      2.00000
     28      -6.7884      2.00000
     29      -6.6303      2.00000
     30      -6.5802      2.00000
     31      -6.5019      2.00000
     32      -6.4448      2.00000
     33      -6.3549      2.00000
     34      -6.3071      2.00000
     35      -6.1533      2.00000
     36      -6.0501      2.00000
     37      -5.9780      2.00000
     38      -5.8656      2.00000
     39      -5.7894      2.00000
     40      -5.7796      2.00000
     41      -5.5530      2.00000
     42      -5.4939      2.00000
     43      -5.4072      2.00000
     44      -5.0453      2.00000
     45      -4.9382      2.00000
     46      -4.9266      2.00000
     47      -4.7476      2.00000
     48      -4.6383      2.00000
     49      -4.5796      2.00000
     50      -4.4459      2.00000
     51      -4.4164      2.00000
     52      -4.2428      2.00000
     53      -3.9581      2.00000
     54      -3.7927      2.00000
     55      -3.7090      2.00000
     56      -3.2890      2.00000
     57      -3.2587      2.00000
     58      -2.9888      2.00000
     59      -2.6522      2.00000
     60      -2.5747      2.00000
     61      -2.4965      2.00000
     62      -2.2422      2.00000
     63      -1.6516      2.02991
     64      -1.5386      2.07091
     65      -0.8030     -0.00281
     66      -0.5445     -0.00000
     67      -0.3679     -0.00000
     68      -0.1023     -0.00000
     69       0.0679     -0.00000
     70       0.1277     -0.00000
     71       0.4699     -0.00000
     72       0.6856     -0.00000
     73       0.8130     -0.00000
     74       0.9566     -0.00000
     75       1.3343     -0.00000
     76       1.5127     -0.00000
     77       1.5482     -0.00000
     78       1.6891     -0.00000

 k-point     2 :       0.4839    0.4839    0.0000
  band No.  band energies     occupation 
      1     -13.1005      2.00000
      2     -12.5638      2.00000
      3     -12.0212      2.00000
      4     -11.7717      2.00000
      5     -11.5519      2.00000
      6     -11.2304      2.00000
      7     -10.5942      2.00000
      8     -10.5527      2.00000
      9     -10.1314      2.00000
     10      -9.7963      2.00000
     11      -9.7330      2.00000
     12      -9.2900      2.00000
     13      -8.7664      2.00000
     14      -8.5617      2.00000
     15      -8.4341      2.00000
     16      -8.3074      2.00000
     17      -8.0294      2.00000
     18      -7.8169      2.00000
     19      -7.6687      2.00000
     20      -7.5894      2.00000
     21      -7.5347      2.00000
     22      -7.3708      2.00000
     23      -7.1809      2.00000
     24      -7.1794      2.00000
     25      -6.9885      2.00000
     26      -6.9720      2.00000
     27      -6.7907      2.00000
     28      -6.7891      2.00000
     29      -6.6293      2.00000
     30      -6.5796      2.00000
     31      -6.5016      2.00000
     32      -6.4456      2.00000
     33      -6.3557      2.00000
     34      -6.3072      2.00000
     35      -6.1527      2.00000
     36      -6.0552      2.00000
     37      -5.9774      2.00000
     38      -5.8643      2.00000
     39      -5.7895      2.00000
     40      -5.7795      2.00000
     41      -5.5781      2.00000
     42      -5.4681      2.00000
     43      -5.4084      2.00000
     44      -5.0459      2.00000
     45      -4.9461      2.00000
     46      -4.9252      2.00000
     47      -4.7386      2.00000
     48      -4.6377      2.00000
     49      -4.5783      2.00000
     50      -4.4413      2.00000
     51      -4.4137      2.00000
     52      -4.2427      2.00000
     53      -3.9597      2.00000
     54      -3.7971      2.00000
     55      -3.7039      2.00000
     56      -3.2873      2.00000
     57      -3.2564      2.00000
     58      -2.9872      2.00000
     59      -2.6521      2.00000
     60      -2.5731      2.00000
     61      -2.4933      2.00000
     62      -2.2417      2.00000
     63      -1.6468      2.03182
     64      -1.5416      2.07087
     65      -0.7992     -0.00258
     66      -0.5448     -0.00000
     67      -0.3698     -0.00000
     68      -0.1031     -0.00000
     69       0.0665     -0.00000
     70       0.1273     -0.00000
     71       0.4693     -0.00000
     72       0.6809     -0.00000
     73       0.8190     -0.00000
     74       0.9544     -0.00000
     75       1.3339     -0.00000
     76       1.4866     -0.00000
     77       1.5683     -0.00000
     78       1.6875     -0.00000

 k-point     3 :       0.4677    0.4677    0.0000
  band No.  band energies     occupation 
      1     -13.1108      2.00000
      2     -12.5507      2.00000
      3     -12.0387      2.00000
      4     -11.7508      2.00000
      5     -11.5506      2.00000
      6     -11.2300      2.00000
      7     -10.5932      2.00000
      8     -10.5514      2.00000
      9     -10.1339      2.00000
     10      -9.8020      2.00000
     11      -9.7272      2.00000
     12      -9.2899      2.00000
     13      -8.7600      2.00000
     14      -8.5651      2.00000
     15      -8.4369      2.00000
     16      -8.3085      2.00000
     17      -8.0329      2.00000
     18      -7.8201      2.00000
     19      -7.6714      2.00000
     20      -7.5906      2.00000
     21      -7.5354      2.00000
     22      -7.3729      2.00000
     23      -7.1830      2.00000
     24      -7.1804      2.00000
     25      -6.9918      2.00000
     26      -6.9749      2.00000
     27      -6.7950      2.00000
     28      -6.7909      2.00000
     29      -6.6267      2.00000
     30      -6.5780      2.00000
     31      -6.5006      2.00000
     32      -6.4479      2.00000
     33      -6.3581      2.00000
     34      -6.3077      2.00000
     35      -6.1510      2.00000
     36      -6.0698      2.00000
     37      -5.9757      2.00000
     38      -5.8608      2.00000
     39      -5.7899      2.00000
     40      -5.7793      2.00000
     41      -5.6176      2.00000
     42      -5.4268      2.00000
     43      -5.4119      2.00000
     44      -5.0498      2.00000
     45      -4.9620      2.00000
     46      -4.9206      2.00000
     47      -4.7173      2.00000
     48      -4.6360      2.00000
     49      -4.5748      2.00000
     50      -4.4274      2.00000
     51      -4.4058      2.00000
     52      -4.2413      2.00000
     53      -3.9639      2.00000
     54      -3.8096      2.00000
     55      -3.6894      2.00000
     56      -3.2824      2.00000
     57      -3.2503      2.00000
     58      -2.9819      2.00000
     59      -2.6518      2.00000
     60      -2.5677      2.00000
     61      -2.4839      2.00000
     62      -2.2402      2.00000
     63      -1.6326      2.03782
     64      -1.5503      2.07004
     65      -0.7881     -0.00202
     66      -0.5454     -0.00000
     67      -0.3756     -0.00000
     68      -0.1056     -0.00000
     69       0.0625     -0.00000
     70       0.1258     -0.00000
     71       0.4673     -0.00000
     72       0.6704     -0.00000
     73       0.8339     -0.00000
     74       0.9480     -0.00000
     75       1.3327     -0.00000
     76       1.4469     -0.00000
     77       1.5914     -0.00000
     78       1.6793     -0.00000

 k-point     4 :       0.4516    0.4516    0.0000
  band No.  band energies     occupation 
      1     -13.1268      2.00000
      2     -12.5301      2.00000
      3     -12.0628      2.00000
      4     -11.7211      2.00000
      5     -11.5485      2.00000
      6     -11.2291      2.00000
      7     -10.5916      2.00000
      8     -10.5492      2.00000
      9     -10.1380      2.00000
     10      -9.8114      2.00000
     11      -9.7176      2.00000
     12      -9.2897      2.00000
     13      -8.7495      2.00000
     14      -8.5708      2.00000
     15      -8.4415      2.00000
     16      -8.3103      2.00000
     17      -8.0387      2.00000
     18      -7.8256      2.00000
     19      -7.6759      2.00000
     20      -7.5927      2.00000
     21      -7.5368      2.00000
     22      -7.3765      2.00000
     23      -7.1868      2.00000
     24      -7.1820      2.00000
     25      -6.9972      2.00000
     26      -6.9795      2.00000
     27      -6.8015      2.00000
     28      -6.7937      2.00000
     29      -6.6231      2.00000
     30      -6.5754      2.00000
     31      -6.4988      2.00000
     32      -6.4515      2.00000
     33      -6.3617      2.00000
     34      -6.3086      2.00000
     35      -6.1484      2.00000
     36      -6.0924      2.00000
     37      -5.9728      2.00000
     38      -5.8559      2.00000
     39      -5.7907      2.00000
     40      -5.7790      2.00000
     41      -5.6554      2.00000
     42      -5.4177      2.00000
     43      -5.3870      2.00000
     44      -5.0637      2.00000
     45      -4.9703      2.00000
     46      -4.9129      2.00000
     47      -4.6931      2.00000
     48      -4.6336      2.00000
     49      -4.5703      2.00000
     50      -4.4043      2.00000
     51      -4.3925      2.00000
     52      -4.2354      2.00000
     53      -3.9695      2.00000
     54      -3.8290      2.00000
     55      -3.6679      2.00000
     56      -3.2749      2.00000
     57      -3.2427      2.00000
     58      -2.9719      2.00000
     59      -2.6509      2.00000
     60      -2.5576      2.00000
     61      -2.4689      2.00000
     62      -2.2377      2.00000
     63      -1.6097      2.04823
     64      -1.5638      2.06700
     65      -0.7715     -0.00137
     66      -0.5455     -0.00000
     67      -0.3852     -0.00000
     68      -0.1100     -0.00000
     69       0.0560     -0.00000
     70       0.1226     -0.00000
     71       0.4640     -0.00000
     72       0.6598     -0.00000
     73       0.8526     -0.00000
     74       0.9371     -0.00000
     75       1.3307     -0.00000
     76       1.4062     -0.00000
     77       1.6080     -0.00000
     78       1.6659     -0.00000

 k-point     5 :       0.4355    0.4355    0.0000
  band No.  band energies     occupation 
      1     -13.1474      2.00000
      2     -12.5035      2.00000
      3     -12.0899      2.00000
      4     -11.6860      2.00000
      5     -11.5455      2.00000
      6     -11.2278      2.00000
      7     -10.5893      2.00000
      8     -10.5462      2.00000
      9     -10.1433      2.00000
     10      -9.8243      2.00000
     11      -9.7048      2.00000
     12      -9.2894      2.00000
     13      -8.7352      2.00000
     14      -8.5786      2.00000
     15      -8.4478      2.00000
     16      -8.3129      2.00000
     17      -8.0470      2.00000
     18      -7.8334      2.00000
     19      -7.6821      2.00000
     20      -7.5955      2.00000
     21      -7.5390      2.00000
     22      -7.3812      2.00000
     23      -7.1924      2.00000
     24      -7.1841      2.00000
     25      -7.0046      2.00000
     26      -6.9857      2.00000
     27      -6.8095      2.00000
     28      -6.7974      2.00000
     29      -6.6194      2.00000
     30      -6.5721      2.00000
     31      -6.4962      2.00000
     32      -6.4563      2.00000
     33      -6.3663      2.00000
     34      -6.3102      2.00000
     35      -6.1451      2.00000
     36      -6.1211      2.00000
     37      -5.9690      2.00000
     38      -5.8508      2.00000
     39      -5.7924      2.00000
     40      -5.7785      2.00000
     41      -5.6883      2.00000
     42      -5.4256      2.00000
     43      -5.3530      2.00000
     44      -5.0907      2.00000
     45      -4.9614      2.00000
     46      -4.9020      2.00000
     47      -4.6729      2.00000
     48      -4.6307      2.00000
     49      -4.5659      2.00000
     50      -4.3741      2.00000
     51      -4.3735      2.00000
     52      -4.2211      2.00000
     53      -3.9742      2.00000
     54      -3.8535      2.00000
     55      -3.6426      2.00000
     56      -3.2653      2.00000
     57      -3.2363      2.00000
     58      -2.9559      2.00000
     59      -2.6490      2.00000
     60      -2.5411      2.00000
     61      -2.4492      2.00000
     62      -2.2341      2.00000
     63      -1.5810      2.06096
     64      -1.5788      2.06182
     65      -0.7519     -0.00085
     66      -0.5437     -0.00000
     67      -0.3985     -0.00000
     68      -0.1167     -0.00000
     69       0.0472     -0.00000
     70       0.1170     -0.00000
     71       0.4600     -0.00000
     72       0.6532     -0.00000
     73       0.8714     -0.00000
     74       0.9212     -0.00000
     75       1.3277     -0.00000
     76       1.3670     -0.00000
     77       1.6161     -0.00000
     78       1.6451     -0.00000

 k-point     6 :       0.4194    0.4194    0.0000
  band No.  band energies     occupation 
      1     -13.1713      2.00000
      2     -12.4724      2.00000
      3     -12.1177      2.00000
      4     -11.6478      2.00000
      5     -11.5417      2.00000
      6     -11.2256      2.00000
      7     -10.5863      2.00000
      8     -10.5423      2.00000
      9     -10.1494      2.00000
     10      -9.8403      2.00000
     11      -9.6890      2.00000
     12      -9.2889      2.00000
     13      -8.7176      2.00000
     14      -8.5886      2.00000
     15      -8.4558      2.00000
     16      -8.3163      2.00000
     17      -8.0577      2.00000
     18      -7.8434      2.00000
     19      -7.6898      2.00000
     20      -7.5992      2.00000
     21      -7.5421      2.00000
     22      -7.3871      2.00000
     23      -7.1998      2.00000
     24      -7.1868      2.00000
     25      -7.0139      2.00000
     26      -6.9932      2.00000
     27      -6.8182      2.00000
     28      -6.8022      2.00000
     29      -6.6162      2.00000
     30      -6.5681      2.00000
     31      -6.4928      2.00000
     32      -6.4618      2.00000
     33      -6.3716      2.00000
     34      -6.3125      2.00000
     35      -6.1539      2.00000
     36      -6.1412      2.00000
     37      -5.9643      2.00000
     38      -5.8469      2.00000
     39      -5.7957      2.00000
     40      -5.7778      2.00000
     41      -5.7138      2.00000
     42      -5.4355      2.00000
     43      -5.3271      2.00000
     44      -5.1245      2.00000
     45      -4.9375      2.00000
     46      -4.8876      2.00000
     47      -4.6604      2.00000
     48      -4.6278      2.00000
     49      -4.5621      2.00000
     50      -4.3506      2.00000
     51      -4.3387      2.00000
     52      -4.1948      2.00000
     53      -3.9747      2.00000
     54      -3.8812      2.00000
     55      -3.6171      2.00000
     56      -3.2537      2.00000
     57      -3.2333      2.00000
     58      -2.9333      2.00000
     59      -2.6458      2.00000
     60      -2.5173      2.00000
     61      -2.4257      2.00000
     62      -2.2289      2.00000
     63      -1.5997      2.05285
     64      -1.5417      2.07087
     65      -0.7329     -0.00053
     66      -0.5373     -0.00000
     67      -0.4153     -0.00000
     68      -0.1263     -0.00000
     69       0.0356     -0.00000
     70       0.1093     -0.00000
     71       0.4567     -0.00000
     72       0.6523     -0.00000
     73       0.8880     -0.00000
     74       0.9000     -0.00000
     75       1.3234     -0.00000
     76       1.3310     -0.00000
     77       1.6153     -0.00000
     78       1.6215     -0.00000

 k-point     7 :       0.4032    0.4032    0.0000
  band No.  band energies     occupation 
      1     -13.1974      2.00000
      2     -12.4389      2.00000
      3     -12.1442      2.00000
      4     -11.6080      2.00000
      5     -11.5370      2.00000
      6     -11.2224      2.00000
      7     -10.5828      2.00000
      8     -10.5376      2.00000
      9     -10.1560      2.00000
     10      -9.8591      2.00000
     11      -9.6707      2.00000
     12      -9.2882      2.00000
     13      -8.6970      2.00000
     14      -8.6005      2.00000
     15      -8.4652      2.00000
     16      -8.3204      2.00000
     17      -8.0710      2.00000
     18      -7.8560      2.00000
     19      -7.6988      2.00000
     20      -7.6037      2.00000
     21      -7.5466      2.00000
     22      -7.3940      2.00000
     23      -7.2092      2.00000
     24      -7.1900      2.00000
     25      -7.0246      2.00000
     26      -7.0019      2.00000
     27      -6.8271      2.00000
     28      -6.8078      2.00000
     29      -6.6140      2.00000
     30      -6.5638      2.00000
     31      -6.4887      2.00000
     32      -6.4679      2.00000
     33      -6.3772      2.00000
     34      -6.3160      2.00000
     35      -6.1883      2.00000
     36      -6.1370      2.00000
     37      -5.9591      2.00000
     38      -5.8459      2.00000
     39      -5.8012      2.00000
     40      -5.7769      2.00000
     41      -5.7297      2.00000
     42      -5.4470      2.00000
     43      -5.3111      2.00000
     44      -5.1591      2.00000
     45      -4.9025      2.00000
     46      -4.8697      2.00000
     47      -4.6562      2.00000
     48      -4.6249      2.00000
     49      -4.5588      2.00000
     50      -4.3225      2.00000
     51      -4.3057      2.00000
     52      -4.1549      2.00000
     53      -3.9667      2.00000
     54      -3.9106      2.00000
     55      -3.5948      2.00000
     56      -3.2392      2.00000
     57      -3.2344      2.00000
     58      -2.9044      2.00000
     59      -2.6410      2.00000
     60      -2.4857      2.00000
     61      -2.3993      2.00000
     62      -2.2215      2.00000
     63      -1.6190      2.04396
     64      -1.4989      2.05474
     65      -0.7188     -0.00036
     66      -0.5234     -0.00000
     67      -0.4355     -0.00000
     68      -0.1396     -0.00000
     69       0.0203     -0.00000
     70       0.1012     -0.00000
     71       0.4559     -0.00000
     72       0.6569     -0.00000
     73       0.8730     -0.00000
     74       0.9011     -0.00000
     75       1.2993     -0.00000
     76       1.3174     -0.00000
     77       1.5763     -0.00000
     78       1.6238     -0.00000

 k-point     8 :       0.3871    0.3871    0.0000
  band No.  band energies     occupation 
      1     -13.2248      2.00000
      2     -12.4054      2.00000
      3     -12.1671      2.00000
      4     -11.5678      2.00000
      5     -11.5316      2.00000
      6     -11.2176      2.00000
      7     -10.5787      2.00000
      8     -10.5322      2.00000
      9     -10.1628      2.00000
     10      -9.8803      2.00000
     11      -9.6503      2.00000
     12      -9.2872      2.00000
     13      -8.6740      2.00000
     14      -8.6145      2.00000
     15      -8.4760      2.00000
     16      -8.3254      2.00000
     17      -8.0869      2.00000
     18      -7.8710      2.00000
     19      -7.7088      2.00000
     20      -7.6090      2.00000
     21      -7.5526      2.00000
     22      -7.4020      2.00000
     23      -7.2203      2.00000
     24      -7.1937      2.00000
     25      -7.0363      2.00000
     26      -7.0115      2.00000
     27      -6.8360      2.00000
     28      -6.8142      2.00000
     29      -6.6129      2.00000
     30      -6.5595      2.00000
     31      -6.4844      2.00000
     32      -6.4741      2.00000
     33      -6.3829      2.00000
     34      -6.3212      2.00000
     35      -6.2220      2.00000
     36      -6.1327      2.00000
     37      -5.9536      2.00000
     38      -5.8503      2.00000
     39      -5.8071      2.00000
     40      -5.7758      2.00000
     41      -5.7356      2.00000
     42      -5.4599      2.00000
     43      -5.3070      2.00000
     44      -5.1896      2.00000
     45      -4.8589      2.00000
     46      -4.8487      2.00000
     47      -4.6592      2.00000
     48      -4.6221      2.00000
     49      -4.5558      2.00000
     50      -4.2904      2.00000
     51      -4.2803      2.00000
     52      -4.1018      2.00000
     53      -3.9456      2.00000
     54      -3.9404      2.00000
     55      -3.5787      2.00000
     56      -3.2398      2.00000
     57      -3.2202      2.00000
     58      -2.8706      2.00000
     59      -2.6345      2.00000
     60      -2.4474      2.00000
     61      -2.3710      2.00000
     62      -2.2104      2.00000
     63      -1.6371      2.03589
     64      -1.4519      1.97382
     65      -0.7123     -0.00031
     66      -0.5001     -0.00000
     67      -0.4587     -0.00000
     68      -0.1574     -0.00000
     69       0.0001     -0.00000
     70       0.0954     -0.00000
     71       0.4589     -0.00000
     72       0.6660     -0.00000
     73       0.8398     -0.00000
     74       0.9093     -0.00000
     75       1.2731     -0.00000
     76       1.3080     -0.00000
     77       1.5289     -0.00000
     78       1.6255     -0.00000

 k-point     9 :       0.3710    0.3710    0.0000
  band No.  band energies     occupation 
      1     -13.2529      2.00000
      2     -12.3760      2.00000
      3     -12.1827      2.00000
      4     -11.5285      2.00000
      5     -11.5254      2.00000
      6     -11.2103      2.00000
      7     -10.5740      2.00000
      8     -10.5260      2.00000
      9     -10.1696      2.00000
     10      -9.9037      2.00000
     11      -9.6282      2.00000
     12      -9.2860      2.00000
     13      -8.6491      2.00000
     14      -8.6302      2.00000
     15      -8.4877      2.00000
     16      -8.3314      2.00000
     17      -8.1055      2.00000
     18      -7.8887      2.00000
     19      -7.7195      2.00000
     20      -7.6151      2.00000
     21      -7.5606      2.00000
     22      -7.4114      2.00000
     23      -7.2328      2.00000
     24      -7.1977      2.00000
     25      -7.0486      2.00000
     26      -7.0217      2.00000
     27      -6.8448      2.00000
     28      -6.8214      2.00000
     29      -6.6127      2.00000
     30      -6.5553      2.00000
     31      -6.4805      2.00000
     32      -6.4801      2.00000
     33      -6.3882      2.00000
     34      -6.3296      2.00000
     35      -6.2517      2.00000
     36      -6.1284      2.00000
     37      -5.9481      2.00000
     38      -5.8609      2.00000
     39      -5.8108      2.00000
     40      -5.7743      2.00000
     41      -5.7339      2.00000
     42      -5.4739      2.00000
     43      -5.3175      2.00000
     44      -5.2108      2.00000
     45      -4.8248      2.00000
     46      -4.8091      2.00000
     47      -4.6672      2.00000
     48      -4.6191      2.00000
     49      -4.5532      2.00000
     50      -4.2659      2.00000
     51      -4.2552      2.00000
     52      -4.0385      2.00000
     53      -3.9694      2.00000
     54      -3.9085      2.00000
     55      -3.5702      2.00000
     56      -3.2481      2.00000
     57      -3.1958      2.00000
     58      -2.8336      2.00000
     59      -2.6259      2.00000
     60      -2.4056      2.00000
     61      -2.3419      2.00000
     62      -2.1926      2.00000
     63      -1.6523      2.02965
     64      -1.4017      1.77978
     65      -0.7139     -0.00032
     66      -0.4850     -0.00000
     67      -0.4679     -0.00000
     68      -0.1806     -0.00000
     69      -0.0250     -0.00000
     70       0.0938     -0.00000
     71       0.4661     -0.00000
     72       0.6783     -0.00000
     73       0.8004     -0.00000
     74       0.9119     -0.00000
     75       1.2530     -0.00000
     76       1.2916     -0.00000
     77       1.4774     -0.00000
     78       1.6236     -0.00000

 k-point    10 :       0.3548    0.3548    0.0000
  band No.  band energies     occupation 
      1     -13.2812      2.00000
      2     -12.3569      2.00000
      3     -12.1849      2.00000
      4     -11.5184      2.00000
      5     -11.4912      2.00000
      6     -11.1998      2.00000
      7     -10.5688      2.00000
      8     -10.5192      2.00000
      9     -10.1760      2.00000
     10      -9.9287      2.00000
     11      -9.6047      2.00000
     12      -9.2846      2.00000
     13      -8.6477      2.00000
     14      -8.6228      2.00000
     15      -8.5000      2.00000
     16      -8.3384      2.00000
     17      -8.1270      2.00000
     18      -7.9089      2.00000
     19      -7.7305      2.00000
     20      -7.6220      2.00000
     21      -7.5706      2.00000
     22      -7.4225      2.00000
     23      -7.2458      2.00000
     24      -7.2021      2.00000
     25      -7.0610      2.00000
     26      -7.0324      2.00000
     27      -6.8537      2.00000
     28      -6.8293      2.00000
     29      -6.6133      2.00000
     30      -6.5517      2.00000
     31      -6.4858      2.00000
     32      -6.4773      2.00000
     33      -6.3932      2.00000
     34      -6.3436      2.00000
     35      -6.2733      2.00000
     36      -6.1242      2.00000
     37      -5.9428      2.00000
     38      -5.8749      2.00000
     39      -5.8123      2.00000
     40      -5.7725      2.00000
     41      -5.7274      2.00000
     42      -5.4886      2.00000
     43      -5.3422      2.00000
     44      -5.2212      2.00000
     45      -4.7988      2.00000
     46      -4.7554      2.00000
     47      -4.6779      2.00000
     48      -4.6156      2.00000
     49      -4.5508      2.00000
     50      -4.2612      2.00000
     51      -4.2183      2.00000
     52      -3.9958      2.00000
     53      -3.9687      2.00000
     54      -3.8566      2.00000
     55      -3.5683      2.00000
     56      -3.2587      2.00000
     57      -3.1654      2.00000
     58      -2.7953      2.00000
     59      -2.6149      2.00000
     60      -2.3657      2.00000
     61      -2.3130      2.00000
     62      -2.1637      2.00000
     63      -1.6629      2.02567
     64      -1.3496      1.44866
     65      -0.7219     -0.00040
     66      -0.5139     -0.00000
     67      -0.4297     -0.00000
     68      -0.2095     -0.00000
     69      -0.0529     -0.00000
     70       0.0970     -0.00000
     71       0.4772     -0.00000
     72       0.6928     -0.00000
     73       0.7550     -0.00000
     74       0.9088     -0.00000
     75       1.2393     -0.00000
     76       1.2616     -0.00000
     77       1.4302     -0.00000
     78       1.6248     -0.00000

 k-point    11 :       0.3387    0.3387    0.0000
  band No.  band energies     occupation 
      1     -13.3094      2.00000
      2     -12.3535      2.00000
      3     -12.1689      2.00000
      4     -11.5108      2.00000
      5     -11.4576      2.00000
      6     -11.1845      2.00000
      7     -10.5631      2.00000
      8     -10.5118      2.00000
      9     -10.1820      2.00000
     10      -9.9552      2.00000
     11      -9.5801      2.00000
     12      -9.2831      2.00000
     13      -8.6667      2.00000
     14      -8.5967      2.00000
     15      -8.5116      2.00000
     16      -8.3467      2.00000
     17      -8.1513      2.00000
     18      -7.9315      2.00000
     19      -7.7416      2.00000
     20      -7.6296      2.00000
     21      -7.5830      2.00000
     22      -7.4357      2.00000
     23      -7.2585      2.00000
     24      -7.2066      2.00000
     25      -7.0731      2.00000
     26      -7.0434      2.00000
     27      -6.8628      2.00000
     28      -6.8379      2.00000
     29      -6.6143      2.00000
     30      -6.5490      2.00000
     31      -6.4904      2.00000
     32      -6.4759      2.00000
     33      -6.3976      2.00000
     34      -6.3636      2.00000
     35      -6.2849      2.00000
     36      -6.1201      2.00000
     37      -5.9381      2.00000
     38      -5.8897      2.00000
     39      -5.8129      2.00000
     40      -5.7702      2.00000
     41      -5.7181      2.00000
     42      -5.5038      2.00000
     43      -5.3751      2.00000
     44      -5.2252      2.00000
     45      -4.7718      2.00000
     46      -4.7023      2.00000
     47      -4.6867      2.00000
     48      -4.6105      2.00000
     49      -4.5489      2.00000
     50      -4.2629      2.00000
     51      -4.1827      2.00000
     52      -4.0168      2.00000
     53      -3.8978      2.00000
     54      -3.7933      2.00000
     55      -3.5685      2.00000
     56      -3.2705      2.00000
     57      -3.1296      2.00000
     58      -2.7576      2.00000
     59      -2.6011      2.00000
     60      -2.3336      2.00000
     61      -2.2857      2.00000
     62      -2.1188      2.00000
     63      -1.6672      2.02414
     64      -1.2964      1.01813
     65      -0.7344     -0.00055
     66      -0.5453     -0.00000
     67      -0.3882     -0.00000
     68      -0.2438     -0.00000
     69      -0.0817     -0.00000
     70       0.1047     -0.00000
     71       0.4913     -0.00000
     72       0.7043     -0.00000
     73       0.7082     -0.00000
     74       0.9005     -0.00000
     75       1.2102     -0.00000
     76       1.2314     -0.00000
     77       1.3965     -0.00000
     78       1.6205     -0.00000

 k-point    12 :       0.3226    0.3226    0.0000
  band No.  band energies     occupation 
      1     -13.3371      2.00000
      2     -12.3632      2.00000
      3     -12.1372      2.00000
      4     -11.5025      2.00000
      5     -11.4289      2.00000
      6     -11.1635      2.00000
      7     -10.5569      2.00000
      8     -10.5039      2.00000
      9     -10.1873      2.00000
     10      -9.9827      2.00000
     11      -9.5548      2.00000
     12      -9.2814      2.00000
     13      -8.6871      2.00000
     14      -8.5747      2.00000
     15      -8.5188      2.00000
     16      -8.3565      2.00000
     17      -8.1786      2.00000
     18      -7.9560      2.00000
     19      -7.7525      2.00000
     20      -7.6380      2.00000
     21      -7.5978      2.00000
     22      -7.4513      2.00000
     23      -7.2699      2.00000
     24      -7.2113      2.00000
     25      -7.0849      2.00000
     26      -7.0544      2.00000
     27      -6.8722      2.00000
     28      -6.8471      2.00000
     29      -6.6155      2.00000
     30      -6.5475      2.00000
     31      -6.4938      2.00000
     32      -6.4765      2.00000
     33      -6.4019      2.00000
     34      -6.3856      2.00000
     35      -6.2889      2.00000
     36      -6.1162      2.00000
     37      -5.9341      2.00000
     38      -5.9041      2.00000
     39      -5.8131      2.00000
     40      -5.7675      2.00000
     41      -5.7072      2.00000
     42      -5.5192      2.00000
     43      -5.4113      2.00000
     44      -5.2267      2.00000
     45      -4.7457      2.00000
     46      -4.7036      2.00000
     47      -4.6406      2.00000
     48      -4.6023      2.00000
     49      -4.5473      2.00000
     50      -4.2671      2.00000
     51      -4.1549      2.00000
     52      -4.0261      2.00000
     53      -3.8345      2.00000
     54      -3.7228      2.00000
     55      -3.5614      2.00000
     56      -3.2829      2.00000
     57      -3.0897      2.00000
     58      -2.7220      2.00000
     59      -2.5842      2.00000
     60      -2.3111      2.00000
     61      -2.2610      2.00000
     62      -2.0575      2.00000
     63      -1.6637      2.02537
     64      -1.2434      0.58438
     65      -0.7500     -0.00081
     66      -0.5785     -0.00001
     67      -0.3462     -0.00000
     68      -0.2827     -0.00000
     69      -0.1100     -0.00000
     70       0.1162     -0.00000
     71       0.5074     -0.00000
     72       0.6497     -0.00000
     73       0.7232     -0.00000
     74       0.8887     -0.00000
     75       1.1383     -0.00000
     76       1.2279     -0.00000
     77       1.3765     -0.00000
     78       1.6059     -0.00000

 k-point    13 :       0.3065    0.3065    0.0000
  band No.  band energies     occupation 
      1     -13.3640      2.00000
      2     -12.3801      2.00000
      3     -12.0962      2.00000
      4     -11.4936      2.00000
      5     -11.4061      2.00000
      6     -11.1358      2.00000
      7     -10.5503      2.00000
      8     -10.4955      2.00000
      9     -10.1918      2.00000
     10     -10.0110      2.00000
     11      -9.5291      2.00000
     12      -9.2796      2.00000
     13      -8.7088      2.00000
     14      -8.5675      2.00000
     15      -8.5109      2.00000
     16      -8.3683      2.00000
     17      -8.2089      2.00000
     18      -7.9818      2.00000
     19      -7.7632      2.00000
     20      -7.6470      2.00000
     21      -7.6150      2.00000
     22      -7.4693      2.00000
     23      -7.2794      2.00000
     24      -7.2161      2.00000
     25      -7.0961      2.00000
     26      -7.0654      2.00000
     27      -6.8822      2.00000
     28      -6.8567      2.00000
     29      -6.6167      2.00000
     30      -6.5475      2.00000
     31      -6.4956      2.00000
     32      -6.4794      2.00000
     33      -6.4111      2.00000
     34      -6.4013      2.00000
     35      -6.2881      2.00000
     36      -6.1124      2.00000
     37      -5.9312      2.00000
     38      -5.9175      2.00000
     39      -5.8132      2.00000
     40      -5.7643      2.00000
     41      -5.6956      2.00000
     42      -5.5346      2.00000
     43      -5.4482      2.00000
     44      -5.2276      2.00000
     45      -4.7232      2.00000
     46      -4.7148      2.00000
     47      -4.5890      2.00000
     48      -4.5873      2.00000
     49      -4.5440      2.00000
     50      -4.2703      2.00000
     51      -4.1448      2.00000
     52      -4.0139      2.00000
     53      -3.7935      2.00000
     54      -3.6473      2.00000
     55      -3.5318      2.00000
     56      -3.2952      2.00000
     57      -3.0468      2.00000
     58      -2.6899      2.00000
     59      -2.5638      2.00000
     60      -2.2962      2.00000
     61      -2.2398      2.00000
     62      -1.9833      2.00001
     63      -1.6510      2.03014
     64      -1.1917      0.24569
     65      -0.7677     -0.00125
     66      -0.6130     -0.00002
     67      -0.3248     -0.00000
     68      -0.3063     -0.00000
     69      -0.1369     -0.00000
     70       0.1306     -0.00000
     71       0.5242     -0.00000
     72       0.5932     -0.00000
     73       0.7365     -0.00000
     74       0.8755     -0.00000
     75       1.0529     -0.00000
     76       1.2270     -0.00000
     77       1.3650     -0.00000
     78       1.5658     -0.00000

 k-point    14 :       0.2903    0.2903    0.0000
  band No.  band energies     occupation 
      1     -13.3902      2.00000
      2     -12.4001      2.00000
      3     -12.0503      2.00000
      4     -11.4841      2.00000
      5     -11.3891      2.00000
      6     -11.1017      2.00000
      7     -10.5434      2.00000
      8     -10.4868      2.00000
      9     -10.1955      2.00000
     10     -10.0398      2.00000
     11      -9.5032      2.00000
     12      -9.2779      2.00000
     13      -8.7315      2.00000
     14      -8.5757      2.00000
     15      -8.4873      2.00000
     16      -8.3823      2.00000
     17      -8.2420      2.00000
     18      -8.0082      2.00000
     19      -7.7735      2.00000
     20      -7.6567      2.00000
     21      -7.6343      2.00000
     22      -7.4893      2.00000
     23      -7.2868      2.00000
     24      -7.2208      2.00000
     25      -7.1067      2.00000
     26      -7.0763      2.00000
     27      -6.8927      2.00000
     28      -6.8669      2.00000
     29      -6.6176      2.00000
     30      -6.5491      2.00000
     31      -6.4957      2.00000
     32      -6.4843      2.00000
     33      -6.4283      2.00000
     34      -6.4063      2.00000
     35      -6.2839      2.00000
     36      -6.1088      2.00000
     37      -5.9300      2.00000
     38      -5.9293      2.00000
     39      -5.8130      2.00000
     40      -5.7607      2.00000
     41      -5.6839      2.00000
     42      -5.5496      2.00000
     43      -5.4842      2.00000
     44      -5.2284      2.00000
     45      -4.7253      2.00000
     46      -4.7064      2.00000
     47      -4.5682      2.00000
     48      -4.5594      2.00000
     49      -4.5197      2.00000
     50      -4.2688      2.00000
     51      -4.1518      2.00000
     52      -3.9811      2.00000
     53      -3.7840      2.00000
     54      -3.5663      2.00000
     55      -3.4728      2.00000
     56      -3.3068      2.00000
     57      -3.0018      2.00000
     58      -2.6617      2.00000
     59      -2.5403      2.00000
     60      -2.2857      2.00000
     61      -2.2225      2.00000
     62      -1.9007      2.00016
     63      -1.6284      2.03969
     64      -1.1429      0.04356
     65      -0.7869     -0.00196
     66      -0.6475     -0.00005
     67      -0.3681     -0.00000
     68      -0.2716     -0.00000
     69      -0.1623     -0.00000
     70       0.1472     -0.00000
     71       0.5379     -0.00000
     72       0.5400     -0.00000
     73       0.7463     -0.00000
     74       0.8639     -0.00000
     75       0.9593     -0.00000
     76       1.2259     -0.00000
     77       1.3575     -0.00000
     78       1.4916     -0.00000

 k-point    15 :       0.2742    0.2742    0.0000
  band No.  band energies     occupation 
      1     -13.4153      2.00000
      2     -12.4209      2.00000
      3     -12.0017      2.00000
      4     -11.4741      2.00000
      5     -11.3773      2.00000
      6     -11.0620      2.00000
      7     -10.5362      2.00000
      8     -10.4779      2.00000
      9     -10.1982      2.00000
     10     -10.0688      2.00000
     11      -9.4774      2.00000
     12      -9.2762      2.00000
     13      -8.7551      2.00000
     14      -8.5890      2.00000
     15      -8.4584      2.00000
     16      -8.3992      2.00000
     17      -8.2778      2.00000
     18      -8.0342      2.00000
     19      -7.7837      2.00000
     20      -7.6669      2.00000
     21      -7.6552      2.00000
     22      -7.5108      2.00000
     23      -7.2923      2.00000
     24      -7.2254      2.00000
     25      -7.1167      2.00000
     26      -7.0869      2.00000
     27      -6.9037      2.00000
     28      -6.8774      2.00000
     29      -6.6182      2.00000
     30      -6.5519      2.00000
     31      -6.4946      2.00000
     32      -6.4907      2.00000
     33      -6.4435      2.00000
     34      -6.4100      2.00000
     35      -6.2769      2.00000
     36      -6.1053      2.00000
     37      -5.9413      2.00000
     38      -5.9288      2.00000
     39      -5.8128      2.00000
     40      -5.7565      2.00000
     41      -5.6730      2.00000
     42      -5.5641      2.00000
     43      -5.5183      2.00000
     44      -5.2296      2.00000
     45      -4.7345      2.00000
     46      -4.6964      2.00000
     47      -4.5586      2.00000
     48      -4.5401      2.00000
     49      -4.4765      2.00000
     50      -4.2581      2.00000
     51      -4.1662      2.00000
     52      -3.9380      2.00000
     53      -3.7971      2.00000
     54      -3.4802      2.00000
     55      -3.3938      2.00000
     56      -3.3173      2.00000
     57      -2.9555      2.00000
     58      -2.6374      2.00000
     59      -2.5149      2.00000
     60      -2.2775      2.00000
     61      -2.2083      2.00000
     62      -1.8134      2.00150
     63      -1.5960      2.05452
     64      -1.0993     -0.04467
     65      -0.8072     -0.00308
     66      -0.6805     -0.00013
     67      -0.4105     -0.00000
     68      -0.2459     -0.00000
     69      -0.1861     -0.00000
     70       0.1645     -0.00000
     71       0.4877     -0.00000
     72       0.5522     -0.00000
     73       0.7514     -0.00000
     74       0.8563     -0.00000
     75       0.8607     -0.00000
     76       1.2211     -0.00000
     77       1.3520     -0.00000
     78       1.4150     -0.00000

 k-point    16 :       0.2581    0.2581    0.0000
  band No.  band energies     occupation 
      1     -13.4394      2.00000
      2     -12.4418      2.00000
      3     -11.9518      2.00000
      4     -11.4637      2.00000
      5     -11.3694      2.00000
      6     -11.0181      2.00000
      7     -10.5287      2.00000
      8     -10.4688      2.00000
      9     -10.1999      2.00000
     10     -10.0979      2.00000
     11      -9.4521      2.00000
     12      -9.2747      2.00000
     13      -8.7795      2.00000
     14      -8.6038      2.00000
     15      -8.4279      2.00000
     16      -8.4194      2.00000
     17      -8.3162      2.00000
     18      -8.0587      2.00000
     19      -7.7937      2.00000
     20      -7.6776      2.00000
     21      -7.6772      2.00000
     22      -7.5332      2.00000
     23      -7.2963      2.00000
     24      -7.2299      2.00000
     25      -7.1260      2.00000
     26      -7.0973      2.00000
     27      -6.9151      2.00000
     28      -6.8882      2.00000
     29      -6.6184      2.00000
     30      -6.5555      2.00000
     31      -6.4979      2.00000
     32      -6.4926      2.00000
     33      -6.4559      2.00000
     34      -6.4139      2.00000
     35      -6.2677      2.00000
     36      -6.1019      2.00000
     37      -5.9518      2.00000
     38      -5.9294      2.00000
     39      -5.8126      2.00000
     40      -5.7520      2.00000
     41      -5.6640      2.00000
     42      -5.5780      2.00000
     43      -5.5491      2.00000
     44      -5.2312      2.00000
     45      -4.7423      2.00000
     46      -4.6915      2.00000
     47      -4.5626      2.00000
     48      -4.5066      2.00000
     49      -4.4411      2.00000
     50      -4.2338      2.00000
     51      -4.1823      2.00000
     52      -3.8906      2.00000
     53      -3.8217      2.00000
     54      -3.3909      2.00000
     55      -3.3260      2.00000
     56      -3.3051      2.00000
     57      -2.9081      2.00000
     58      -2.6162      2.00000
     59      -2.4891      2.00000
     60      -2.2704      2.00000
     61      -2.1962      2.00000
     62      -1.7240      2.00961
     63      -1.5547      2.06926
     64      -1.0643     -0.06900
     65      -0.8284     -0.00480
     66      -0.7097     -0.00029
     67      -0.4493     -0.00000
     68      -0.2332     -0.00000
     69      -0.2082     -0.00000
     70       0.1811     -0.00000
     71       0.4470     -0.00000
     72       0.5575     -0.00000
     73       0.7533     -0.00000
     74       0.7593     -0.00000
     75       0.8538     -0.00000
     76       1.2066     -0.00000
     77       1.3481     -0.00000
     78       1.3554     -0.00000

 k-point    17 :       0.2419    0.2419    0.0000
  band No.  band energies     occupation 
      1     -13.4622      2.00000
      2     -12.4621      2.00000
      3     -11.9012      2.00000
      4     -11.4530      2.00000
      5     -11.3644      2.00000
      6     -10.9711      2.00000
      7     -10.5211      2.00000
      8     -10.4598      2.00000
      9     -10.2005      2.00000
     10     -10.1267      2.00000
     11      -9.4274      2.00000
     12      -9.2734      2.00000
     13      -8.8045      2.00000
     14      -8.6188      2.00000
     15      -8.4435      2.00000
     16      -8.3970      2.00000
     17      -8.3565      2.00000
     18      -8.0808      2.00000
     19      -7.8039      2.00000
     20      -7.6994      2.00000
     21      -7.6886      2.00000
     22      -7.5561      2.00000
     23      -7.2991      2.00000
     24      -7.2341      2.00000
     25      -7.1347      2.00000
     26      -7.1074      2.00000
     27      -6.9267      2.00000
     28      -6.8993      2.00000
     29      -6.6183      2.00000
     30      -6.5595      2.00000
     31      -6.5049      2.00000
     32      -6.4901      2.00000
     33      -6.4661      2.00000
     34      -6.4181      2.00000
     35      -6.2567      2.00000
     36      -6.0987      2.00000
     37      -5.9616      2.00000
     38      -5.9311      2.00000
     39      -5.8127      2.00000
     40      -5.7472      2.00000
     41      -5.6589      2.00000
     42      -5.5911      2.00000
     43      -5.5743      2.00000
     44      -5.2332      2.00000
     45      -4.7487      2.00000
     46      -4.6902      2.00000
     47      -4.5688      2.00000
     48      -4.4699      2.00000
     49      -4.4174      2.00000
     50      -4.1977      2.00000
     51      -4.1946      2.00000
     52      -3.8515      2.00000
     53      -3.8419      2.00000
     54      -3.3324      2.00000
     55      -3.3002      2.00000
     56      -3.2124      2.00000
     57      -2.8596      2.00000
     58      -2.5975      2.00000
     59      -2.4642      2.00000
     60      -2.2635      2.00000
     61      -2.1844      2.00000
     62      -1.6350      2.03679
     63      -1.5057      2.06019
     64      -1.0426     -0.07058
     65      -0.8504     -0.00739
     66      -0.7332     -0.00053
     67      -0.4803     -0.00000
     68      -0.2377     -0.00000
     69      -0.2284     -0.00000
     70       0.1943     -0.00000
     71       0.4198     -0.00000
     72       0.5526     -0.00000
     73       0.6576     -0.00000
     74       0.7560     -0.00000
     75       0.8541     -0.00000
     76       1.1787     -0.00000
     77       1.3195     -0.00000
     78       1.3438     -0.00000

 k-point    18 :       0.2258    0.2258    0.0000
  band No.  band energies     occupation 
      1     -13.4839      2.00000
      2     -12.4816      2.00000
      3     -11.8507      2.00000
      4     -11.4419      2.00000
      5     -11.3614      2.00000
      6     -10.9222      2.00000
      7     -10.5134      2.00000
      8     -10.4509      2.00000
      9     -10.2000      2.00000
     10     -10.1551      2.00000
     11      -9.4037      2.00000
     12      -9.2723      2.00000
     13      -8.8299      2.00000
     14      -8.6336      2.00000
     15      -8.4716      2.00000
     16      -8.3982      2.00000
     17      -8.3662      2.00000
     18      -8.0998      2.00000
     19      -7.8146      2.00000
     20      -7.7209      2.00000
     21      -7.6999      2.00000
     22      -7.5793      2.00000
     23      -7.3013      2.00000
     24      -7.2380      2.00000
     25      -7.1426      2.00000
     26      -7.1170      2.00000
     27      -6.9382      2.00000
     28      -6.9105      2.00000
     29      -6.6177      2.00000
     30      -6.5637      2.00000
     31      -6.5111      2.00000
     32      -6.4873      2.00000
     33      -6.4746      2.00000
     34      -6.4225      2.00000
     35      -6.2443      2.00000
     36      -6.0956      2.00000
     37      -5.9705      2.00000
     38      -5.9339      2.00000
     39      -5.8134      2.00000
     40      -5.7422      2.00000
     41      -5.6612      2.00000
     42      -5.6032      2.00000
     43      -5.5902      2.00000
     44      -5.2357      2.00000
     45      -4.7536      2.00000
     46      -4.6912      2.00000
     47      -4.5767      2.00000
     48      -4.4322      2.00000
     49      -4.4028      2.00000
     50      -4.2113      2.00000
     51      -4.1439      2.00000
     52      -3.8835      2.00000
     53      -3.7935      2.00000
     54      -3.3359      2.00000
     55      -3.2095      2.00000
     56      -3.1191      2.00000
     57      -2.8097      2.00000
     58      -2.5814      2.00000
     59      -2.4408      2.00000
     60      -2.2562      2.00000
     61      -2.1713      2.00000
     62      -1.5485      2.07029
     63      -1.4507      1.97053
     64      -1.0378     -0.06997
     65      -0.8731     -0.01120
     66      -0.7522     -0.00086
     67      -0.4973     -0.00000
     68      -0.2606     -0.00000
     69      -0.2468     -0.00000
     70       0.2007     -0.00000
     71       0.4050     -0.00000
     72       0.5372     -0.00000
     73       0.5604     -0.00000
     74       0.7619     -0.00000
     75       0.8552     -0.00000
     76       1.1468     -0.00000
     77       1.3042     -0.00000
     78       1.3401     -0.00000

 k-point    19 :       0.2097    0.2097    0.0000
  band No.  band energies     occupation 
      1     -13.5042      2.00000
      2     -12.5001      2.00000
      3     -11.8006      2.00000
      4     -11.4308      2.00000
      5     -11.3597      2.00000
      6     -10.8722      2.00000
      7     -10.5057      2.00000
      8     -10.4422      2.00000
      9     -10.1983      2.00000
     10     -10.1828      2.00000
     11      -9.3813      2.00000
     12      -9.2716      2.00000
     13      -8.8555      2.00000
     14      -8.6479      2.00000
     15      -8.5040      2.00000
     16      -8.4403      2.00000
     17      -8.3359      2.00000
     18      -8.1152      2.00000
     19      -7.8260      2.00000
     20      -7.7408      2.00000
     21      -7.7113      2.00000
     22      -7.6026      2.00000
     23      -7.3031      2.00000
     24      -7.2417      2.00000
     25      -7.1499      2.00000
     26      -7.1263      2.00000
     27      -6.9493      2.00000
     28      -6.9218      2.00000
     29      -6.6167      2.00000
     30      -6.5679      2.00000
     31      -6.5164      2.00000
     32      -6.4845      2.00000
     33      -6.4819      2.00000
     34      -6.4271      2.00000
     35      -6.2307      2.00000
     36      -6.0927      2.00000
     37      -5.9789      2.00000
     38      -5.9375      2.00000
     39      -5.8153      2.00000
     40      -5.7371      2.00000
     41      -5.6720      2.00000
     42      -5.6145      2.00000
     43      -5.5953      2.00000
     44      -5.2385      2.00000
     45      -4.7571      2.00000
     46      -4.6935      2.00000
     47      -4.5858      2.00000
     48      -4.3955      2.00000
     49      -4.3931      2.00000
     50      -4.2222      2.00000
     51      -4.0871      2.00000
     52      -3.9153      2.00000
     53      -3.7467      2.00000
     54      -3.3358      2.00000
     55      -3.1197      2.00000
     56      -3.0282      2.00000
     57      -2.7573      2.00000
     58      -2.5681      2.00000
     59      -2.4187      2.00000
     60      -2.2479      2.00000
     61      -2.1558      2.00000
     62      -1.4668      2.00876
     63      -1.3911      1.72238
     64      -1.0497     -0.07091
     65      -0.8968     -0.01666
     66      -0.7721     -0.00139
     67      -0.4936     -0.00000
     68      -0.3004     -0.00000
     69      -0.2624     -0.00000
     70       0.1958     -0.00000
     71       0.3838     -0.00000
     72       0.4865     -0.00000
     73       0.5155     -0.00000
     74       0.7690     -0.00000
     75       0.8579     -0.00000
     76       1.1228     -0.00000
     77       1.2976     -0.00000
     78       1.3369     -0.00000

 k-point    20 :       0.1935    0.1935    0.0000
  band No.  band energies     occupation 
      1     -13.5231      2.00000
      2     -12.5174      2.00000
      3     -11.7515      2.00000
      4     -11.4195      2.00000
      5     -11.3590      2.00000
      6     -10.8219      2.00000
      7     -10.4980      2.00000
      8     -10.4340      2.00000
      9     -10.2097      2.00000
     10     -10.1953      2.00000
     11      -9.3604      2.00000
     12      -9.2712      2.00000
     13      -8.8813      2.00000
     14      -8.6615      2.00000
     15      -8.5407      2.00000
     16      -8.4815      2.00000
     17      -8.3064      2.00000
     18      -8.1270      2.00000
     19      -7.8385      2.00000
     20      -7.7585      2.00000
     21      -7.7227      2.00000
     22      -7.6259      2.00000
     23      -7.3047      2.00000
     24      -7.2450      2.00000
     25      -7.1564      2.00000
     26      -7.1352      2.00000
     27      -6.9599      2.00000
     28      -6.9330      2.00000
     29      -6.6153      2.00000
     30      -6.5719      2.00000
     31      -6.5206      2.00000
     32      -6.4883      2.00000
     33      -6.4816      2.00000
     34      -6.4317      2.00000
     35      -6.2163      2.00000
     36      -6.0899      2.00000
     37      -5.9866      2.00000
     38      -5.9419      2.00000
     39      -5.8192      2.00000
     40      -5.7320      2.00000
     41      -5.6862      2.00000
     42      -5.6247      2.00000
     43      -5.5940      2.00000
     44      -5.2416      2.00000
     45      -4.7593      2.00000
     46      -4.6967      2.00000
     47      -4.5958      2.00000
     48      -4.3858      2.00000
     49      -4.3620      2.00000
     50      -4.2289      2.00000
     51      -4.0308      2.00000
     52      -3.9430      2.00000
     53      -3.7028      2.00000
     54      -3.3312      2.00000
     55      -3.0320      2.00000
     56      -2.9427      2.00000
     57      -2.7010      2.00000
     58      -2.5582      2.00000
     59      -2.3971      2.00000
     60      -2.2378      2.00000
     61      -2.1370      2.00000
     62      -1.3920      1.72745
     63      -1.3286      1.28587
     64      -1.0739     -0.06545
     65      -0.9217     -0.02428
     66      -0.7979     -0.00251
     67      -0.4683     -0.00000
     68      -0.3528     -0.00000
     69      -0.2734     -0.00000
     70       0.1754     -0.00000
     71       0.3151     -0.00000
     72       0.4749     -0.00000
     73       0.4935     -0.00000
     74       0.7735     -0.00000
     75       0.8649     -0.00000
     76       1.1102     -0.00000
     77       1.2936     -0.00000
     78       1.3331     -0.00000

 k-point    21 :       0.1774    0.1774    0.0000
  band No.  band energies     occupation 
      1     -13.5406      2.00000
      2     -12.5334      2.00000
      3     -11.7038      2.00000
      4     -11.4084      2.00000
      5     -11.3587      2.00000
      6     -10.7720      2.00000
      7     -10.4905      2.00000
      8     -10.4263      2.00000
      9     -10.2355      2.00000
     10     -10.1911      2.00000
     11      -9.3414      2.00000
     12      -9.2711      2.00000
     13      -8.9071      2.00000
     14      -8.6741      2.00000
     15      -8.5813      2.00000
     16      -8.5208      2.00000
     17      -8.2780      2.00000
     18      -8.1351      2.00000
     19      -7.8522      2.00000
     20      -7.7734      2.00000
     21      -7.7339      2.00000
     22      -7.6491      2.00000
     23      -7.3062      2.00000
     24      -7.2479      2.00000
     25      -7.1623      2.00000
     26      -7.1435      2.00000
     27      -6.9697      2.00000
     28      -6.9441      2.00000
     29      -6.6138      2.00000
     30      -6.5757      2.00000
     31      -6.5241      2.00000
     32      -6.4938      2.00000
     33      -6.4790      2.00000
     34      -6.4362      2.00000
     35      -6.2012      2.00000
     36      -6.0873      2.00000
     37      -5.9936      2.00000
     38      -5.9468      2.00000
     39      -5.8258      2.00000
     40      -5.7270      2.00000
     41      -5.6989      2.00000
     42      -5.6339      2.00000
     43      -5.5908      2.00000
     44      -5.2448      2.00000
     45      -4.7603      2.00000
     46      -4.7004      2.00000
     47      -4.6062      2.00000
     48      -4.3794      2.00000
     49      -4.3352      2.00000
     50      -4.2289      2.00000
     51      -4.0039      2.00000
     52      -3.9392      2.00000
     53      -3.6630      2.00000
     54      -3.3215      2.00000
     55      -2.9478      2.00000
     56      -2.8656      2.00000
     57      -2.6390      2.00000
     58      -2.5522      2.00000
     59      -2.3749      2.00000
     60      -2.2251      2.00000
     61      -2.1150      2.00000
     62      -1.3264      1.26817
     63      -1.2650      0.75531
     64      -1.1056     -0.03646
     65      -0.9482     -0.03446
     66      -0.8290     -0.00485
     67      -0.4301     -0.00000
     68      -0.4124     -0.00000
     69      -0.2751     -0.00000
     70       0.1383     -0.00000
     71       0.2236     -0.00000
     72       0.4746     -0.00000
     73       0.4977     -0.00000
     74       0.7742     -0.00000
     75       0.8773     -0.00000
     76       1.1085     -0.00000
     77       1.2975     -0.00000
     78       1.3314     -0.00000

 k-point    22 :       0.1613    0.1613    0.0000
  band No.  band energies     occupation 
      1     -13.5567      2.00000
      2     -12.5482      2.00000
      3     -11.6581      2.00000
      4     -11.3974      2.00000
      5     -11.3586      2.00000
      6     -10.7232      2.00000
      7     -10.4832      2.00000
      8     -10.4193      2.00000
      9     -10.2601      2.00000
     10     -10.1857      2.00000
     11      -9.3244      2.00000
     12      -9.2714      2.00000
     13      -8.9325      2.00000
     14      -8.6857      2.00000
     15      -8.6246      2.00000
     16      -8.5576      2.00000
     17      -8.2508      2.00000
     18      -8.1399      2.00000
     19      -7.8668      2.00000
     20      -7.7856      2.00000
     21      -7.7449      2.00000
     22      -7.6720      2.00000
     23      -7.3078      2.00000
     24      -7.2506      2.00000
     25      -7.1676      2.00000
     26      -7.1514      2.00000
     27      -6.9786      2.00000
     28      -6.9548      2.00000
     29      -6.6120      2.00000
     30      -6.5793      2.00000
     31      -6.5269      2.00000
     32      -6.4985      2.00000
     33      -6.4764      2.00000
     34      -6.4407      2.00000
     35      -6.1856      2.00000
     36      -6.0848      2.00000
     37      -6.0001      2.00000
     38      -5.9521      2.00000
     39      -5.8357      2.00000
     40      -5.7221      2.00000
     41      -5.7078      2.00000
     42      -5.6422      2.00000
     43      -5.5877      2.00000
     44      -5.2479      2.00000
     45      -4.7601      2.00000
     46      -4.7043      2.00000
     47      -4.6168      2.00000
     48      -4.3732      2.00000
     49      -4.3187      2.00000
     50      -4.2194      2.00000
     51      -4.0239      2.00000
     52      -3.8873      2.00000
     53      -3.6285      2.00000
     54      -3.3062      2.00000
     55      -2.8692      2.00000
     56      -2.7978      2.00000
     57      -2.5714      2.00000
     58      -2.5500      2.00000
     59      -2.3515      2.00000
     60      -2.2083      2.00000
     61      -2.0896      2.00000
     62      -1.2729      0.82044
     63      -1.2028      0.30813
     64      -1.1409      0.03767
     65      -0.9759     -0.04686
     66      -0.8607     -0.00896
     67      -0.4750     -0.00000
     68      -0.3963     -0.00000
     69      -0.2554     -0.00000
     70       0.0875     -0.00000
     71       0.1302     -0.00000
     72       0.4582     -0.00000
     73       0.5313     -0.00000
     74       0.7735     -0.00000
     75       0.8924     -0.00000
     76       1.1122     -0.00000
     77       1.2862     -0.00000
     78       1.3249     -0.00000

 k-point    23 :       0.1452    0.1452    0.0000
  band No.  band energies     occupation 
      1     -13.5714      2.00000
      2     -12.5617      2.00000
      3     -11.6149      2.00000
      4     -11.3868      2.00000
      5     -11.3584      2.00000
      6     -10.6760      2.00000
      7     -10.4762      2.00000
      8     -10.4131      2.00000
      9     -10.2832      2.00000
     10     -10.1789      2.00000
     11      -9.3098      2.00000
     12      -9.2720      2.00000
     13      -8.9575      2.00000
     14      -8.6962      2.00000
     15      -8.6693      2.00000
     16      -8.5914      2.00000
     17      -8.2251      2.00000
     18      -8.1417      2.00000
     19      -7.8818      2.00000
     20      -7.7955      2.00000
     21      -7.7555      2.00000
     22      -7.6944      2.00000
     23      -7.3094      2.00000
     24      -7.2529      2.00000
     25      -7.1722      2.00000
     26      -7.1586      2.00000
     27      -6.9866      2.00000
     28      -6.9652      2.00000
     29      -6.6101      2.00000
     30      -6.5826      2.00000
     31      -6.5294      2.00000
     32      -6.5025      2.00000
     33      -6.4741      2.00000
     34      -6.4448      2.00000
     35      -6.1698      2.00000
     36      -6.0826      2.00000
     37      -6.0058      2.00000
     38      -5.9575      2.00000
     39      -5.8484      2.00000
     40      -5.7176      2.00000
     41      -5.7123      2.00000
     42      -5.6495      2.00000
     43      -5.5856      2.00000
     44      -5.2509      2.00000
     45      -4.7590      2.00000
     46      -4.7083      2.00000
     47      -4.6273      2.00000
     48      -4.3671      2.00000
     49      -4.3123      2.00000
     50      -4.2010      2.00000
     51      -4.0508      2.00000
     52      -3.8282      2.00000
     53      -3.5995      2.00000
     54      -3.2855      2.00000
     55      -2.7998      2.00000
     56      -2.7369      2.00000
     57      -2.5512      2.00000
     58      -2.5009      2.00000
     59      -2.3266      2.00000
     60      -2.1852      2.00000
     61      -2.0611      2.00000
     62      -1.2353      0.52426
     63      -1.1771      0.17283
     64      -1.1474      0.05743
     65      -1.0017     -0.05854
     66      -0.8876     -0.01434
     67      -0.5356     -0.00000
     68      -0.3832     -0.00000
     69      -0.2043     -0.00000
     70       0.0292     -0.00000
     71       0.0397     -0.00000
     72       0.4415     -0.00000
     73       0.5694     -0.00000
     74       0.7735     -0.00000
     75       0.9065     -0.00000
     76       1.1206     -0.00000
     77       1.2813     -0.00000
     78       1.3178     -0.00000

 k-point    24 :       0.1290    0.1290    0.0000
  band No.  band energies     occupation 
      1     -13.5845      2.00000
      2     -12.5738      2.00000
      3     -11.5748      2.00000
      4     -11.3767      2.00000
      5     -11.3579      2.00000
      6     -10.6314      2.00000
      7     -10.4697      2.00000
      8     -10.4077      2.00000
      9     -10.3046      2.00000
     10     -10.1709      2.00000
     11      -9.2979      2.00000
     12      -9.2729      2.00000
     13      -8.9816      2.00000
     14      -8.7138      2.00000
     15      -8.7055      2.00000
     16      -8.6222      2.00000
     17      -8.2011      2.00000
     18      -8.1409      2.00000
     19      -7.8965      2.00000
     20      -7.8036      2.00000
     21      -7.7655      2.00000
     22      -7.7160      2.00000
     23      -7.3111      2.00000
     24      -7.2549      2.00000
     25      -7.1762      2.00000
     26      -7.1653      2.00000
     27      -6.9936      2.00000
     28      -6.9750      2.00000
     29      -6.6081      2.00000
     30      -6.5855      2.00000
     31      -6.5318      2.00000
     32      -6.5056      2.00000
     33      -6.4720      2.00000
     34      -6.4487      2.00000
     35      -6.1540      2.00000
     36      -6.0805      2.00000
     37      -6.0107      2.00000
     38      -5.9629      2.00000
     39      -5.8632      2.00000
     40      -5.7135      2.00000
     41      -5.7129      2.00000
     42      -5.6559      2.00000
     43      -5.5850      2.00000
     44      -5.2536      2.00000
     45      -4.7569      2.00000
     46      -4.7122      2.00000
     47      -4.6376      2.00000
     48      -4.3610      2.00000
     49      -4.3119      2.00000
     50      -4.1785      2.00000
     51      -4.0772      2.00000
     52      -3.7700      2.00000
     53      -3.5761      2.00000
     54      -3.2601      2.00000
     55      -2.7438      2.00000
     56      -2.6783      2.00000
     57      -2.5549      2.00000
     58      -2.4328      2.00000
     59      -2.3010      2.00000
     60      -2.1528      2.00000
     61      -2.0292      2.00000
     62      -1.2213      0.42582
     63      -1.2093      0.34776
     64      -1.1188     -0.01457
     65      -1.0084     -0.06131
     66      -0.9038     -0.01859
     67      -0.5911     -0.00001
     68      -0.3846     -0.00000
     69      -0.1367     -0.00000
     70      -0.0464     -0.00000
     71      -0.0262     -0.00000
     72       0.4224     -0.00000
     73       0.6091     -0.00000
     74       0.7746     -0.00000
     75       0.9172     -0.00000
     76       1.1326     -0.00000
     77       1.2749     -0.00000
     78       1.3090     -0.00000

 k-point    25 :       0.1129    0.1129    0.0000
  band No.  band energies     occupation 
      1     -13.5962      2.00000
      2     -12.5845      2.00000
      3     -11.5386      2.00000
      4     -11.3672      2.00000
      5     -11.3567      2.00000
      6     -10.5900      2.00000
      7     -10.4637      2.00000
      8     -10.4032      2.00000
      9     -10.3241      2.00000
     10     -10.1617      2.00000
     11      -9.2887      2.00000
     12      -9.2740      2.00000
     13      -9.0044      2.00000
     14      -8.7567      2.00000
     15      -8.7136      2.00000
     16      -8.6497      2.00000
     17      -8.1792      2.00000
     18      -8.1379      2.00000
     19      -7.9107      2.00000
     20      -7.8105      2.00000
     21      -7.7748      2.00000
     22      -7.7366      2.00000
     23      -7.3128      2.00000
     24      -7.2566      2.00000
     25      -7.1798      2.00000
     26      -7.1713      2.00000
     27      -6.9996      2.00000
     28      -6.9841      2.00000
     29      -6.6061      2.00000
     30      -6.5881      2.00000
     31      -6.5340      2.00000
     32      -6.5079      2.00000
     33      -6.4701      2.00000
     34      -6.4523      2.00000
     35      -6.1383      2.00000
     36      -6.0787      2.00000
     37      -6.0147      2.00000
     38      -5.9681      2.00000
     39      -5.8793      2.00000
     40      -5.7112      2.00000
     41      -5.7094      2.00000
     42      -5.6613      2.00000
     43      -5.5861      2.00000
     44      -5.2559      2.00000
     45      -4.7542      2.00000
     46      -4.7159      2.00000
     47      -4.6475      2.00000
     48      -4.3550      2.00000
     49      -4.3140      2.00000
     50      -4.1559      2.00000
     51      -4.1018      2.00000
     52      -3.7148      2.00000
     53      -3.5575      2.00000
     54      -3.2318      2.00000
     55      -2.7015      2.00000
     56      -2.6212      2.00000
     57      -2.5603      2.00000
     58      -2.3723      2.00000
     59      -2.2756      2.00000
     60      -2.1081      2.00000
     61      -1.9937      2.00001
     62      -1.2502      0.63677
     63      -1.2192      0.41181
     64      -1.1395      0.03382
     65      -0.9757     -0.04679
     66      -0.9059     -0.01919
     67      -0.6388     -0.00004
     68      -0.3918     -0.00000
     69      -0.1268     -0.00000
     70      -0.1228     -0.00000
     71      -0.0168     -0.00000
     72       0.4001     -0.00000
     73       0.6487     -0.00000
     74       0.7757     -0.00000
     75       0.9233     -0.00000
     76       1.1457     -0.00000
     77       1.2678     -0.00000
     78       1.2983     -0.00000

 k-point    26 :       0.0968    0.0968    0.0000
  band No.  band energies     occupation 
      1     -13.6063      2.00000
      2     -12.5938      2.00000
      3     -11.5070      2.00000
      4     -11.3586      2.00000
      5     -11.3544      2.00000
      6     -10.5525      2.00000
      7     -10.4582      2.00000
      8     -10.3995      2.00000
      9     -10.3416      2.00000
     10     -10.1516      2.00000
     11      -9.2823      2.00000
     12      -9.2752      2.00000
     13      -9.0253      2.00000
     14      -8.7968      2.00000
     15      -8.7205      2.00000
     16      -8.6735      2.00000
     17      -8.1595      2.00000
     18      -8.1331      2.00000
     19      -7.9238      2.00000
     20      -7.8164      2.00000
     21      -7.7832      2.00000
     22      -7.7556      2.00000
     23      -7.3145      2.00000
     24      -7.2580      2.00000
     25      -7.1828      2.00000
     26      -7.1766      2.00000
     27      -7.0046      2.00000
     28      -6.9924      2.00000
     29      -6.6042      2.00000
     30      -6.5904      2.00000
     31      -6.5363      2.00000
     32      -6.5097      2.00000
     33      -6.4685      2.00000
     34      -6.4554      2.00000
     35      -6.1232      2.00000
     36      -6.0771      2.00000
     37      -6.0176      2.00000
     38      -5.9729      2.00000
     39      -5.8958      2.00000
     40      -5.7072      2.00000
     41      -5.7059      2.00000
     42      -5.6660      2.00000
     43      -5.5886      2.00000
     44      -5.2577      2.00000
     45      -4.7508      2.00000
     46      -4.7193      2.00000
     47      -4.6569      2.00000
     48      -4.3492      2.00000
     49      -4.3167      2.00000
     50      -4.1352      2.00000
     51      -4.1241      2.00000
     52      -3.6638      2.00000
     53      -3.5427      2.00000
     54      -3.2023      2.00000
     55      -2.6693      2.00000
     56      -2.5694      2.00000
     57      -2.5666      2.00000
     58      -2.3220      2.00000
     59      -2.2515      2.00000
     60      -2.0506      2.00000
     61      -1.9541      2.00003
     62      -1.2836      0.90987
     63      -1.2414      0.56935
     64      -1.1865      0.21861
     65      -0.9283     -0.02660
     66      -0.8959     -0.01640
     67      -0.6766     -0.00011
     68      -0.4010     -0.00000
     69      -0.2005     -0.00000
     70      -0.1742     -0.00000
     71       0.0652     -0.00000
     72       0.3755     -0.00000
     73       0.6872     -0.00000
     74       0.7759     -0.00000
     75       0.9248     -0.00000
     76       1.1584     -0.00000
     77       1.2591     -0.00000
     78       1.2836     -0.00000

 k-point    27 :       0.0806    0.0806    0.0000
  band No.  band energies     occupation 
      1     -13.6149      2.00000
      2     -12.6017      2.00000
      3     -11.4808      2.00000
      4     -11.3516      2.00000
      5     -11.3504      2.00000
      6     -10.5197      2.00000
      7     -10.4535      2.00000
      8     -10.3968      2.00000
      9     -10.3567      2.00000
     10     -10.1410      2.00000
     11      -9.2787      2.00000
     12      -9.2764      2.00000
     13      -9.0439      2.00000
     14      -8.8329      2.00000
     15      -8.7263      2.00000
     16      -8.6936      2.00000
     17      -8.1423      2.00000
     18      -8.1270      2.00000
     19      -7.9358      2.00000
     20      -7.8219      2.00000
     21      -7.7907      2.00000
     22      -7.7724      2.00000
     23      -7.3160      2.00000
     24      -7.2593      2.00000
     25      -7.1853      2.00000
     26      -7.1811      2.00000
     27      -7.0088      2.00000
     28      -6.9998      2.00000
     29      -6.6024      2.00000
     30      -6.5923      2.00000
     31      -6.5383      2.00000
     32      -6.5109      2.00000
     33      -6.4671      2.00000
     34      -6.4580      2.00000
     35      -6.1090      2.00000
     36      -6.0757      2.00000
     37      -6.0190      2.00000
     38      -5.9772      2.00000
     39      -5.9124      2.00000
     40      -5.7031      2.00000
     41      -5.7017      2.00000
     42      -5.6698      2.00000
     43      -5.5925      2.00000
     44      -5.2591      2.00000
     45      -4.7469      2.00000
     46      -4.7223      2.00000
     47      -4.6657      2.00000
     48      -4.3435      2.00000
     49      -4.3195      2.00000
     50      -4.1438      2.00000
     51      -4.1172      2.00000
     52      -3.6182      2.00000
     53      -3.5310      2.00000
     54      -3.1737      2.00000
     55      -2.6442      2.00000
     56      -2.5732      2.00000
     57      -2.5260      2.00000
     58      -2.2808      2.00000
     59      -2.2298      2.00000
     60      -1.9831      2.00001
     61      -1.9100      2.00012
     62      -1.3173      1.19361
     63      -1.2734      0.82396
     64      -1.2445      0.59251
     65      -0.8831     -0.01329
     66      -0.8791     -0.01241
     67      -0.7031     -0.00024
     68      -0.4107     -0.00000
     69      -0.2667     -0.00000
     70      -0.2278     -0.00000
     71       0.1544     -0.00000
     72       0.3508     -0.00000
     73       0.7234     -0.00000
     74       0.7747     -0.00000
     75       0.9214     -0.00000
     76       1.1683     -0.00000
     77       1.2478     -0.00000
     78       1.2654     -0.00000

 k-point    28 :       0.0645    0.0645    0.0000
  band No.  band energies     occupation 
      1     -13.6220      2.00000
      2     -12.6082      2.00000
      3     -11.4604      2.00000
      4     -11.3466      2.00000
      5     -11.3441      2.00000
      6     -10.4921      2.00000
      7     -10.4495      2.00000
      8     -10.3948      2.00000
      9     -10.3694      2.00000
     10     -10.1304      2.00000
     11      -9.2779      2.00000
     12      -9.2771      2.00000
     13      -9.0595      2.00000
     14      -8.8641      2.00000
     15      -8.7309      2.00000
     16      -8.7099      2.00000
     17      -8.1278      2.00000
     18      -8.1202      2.00000
     19      -7.9464      2.00000
     20      -7.8272      2.00000
     21      -7.7970      2.00000
     22      -7.7863      2.00000
     23      -7.3174      2.00000
     24      -7.2602      2.00000
     25      -7.1874      2.00000
     26      -7.1849      2.00000
     27      -7.0121      2.00000
     28      -7.0060      2.00000
     29      -6.6008      2.00000
     30      -6.5939      2.00000
     31      -6.5402      2.00000
     32      -6.5118      2.00000
     33      -6.4659      2.00000
     34      -6.4602      2.00000
     35      -6.0964      2.00000
     36      -6.0746      2.00000
     37      -6.0185      2.00000
     38      -5.9809      2.00000
     39      -5.9287      2.00000
     40      -5.7006      2.00000
     41      -5.6957      2.00000
     42      -5.6728      2.00000
     43      -5.5974      2.00000
     44      -5.2602      2.00000
     45      -4.7428      2.00000
     46      -4.7248      2.00000
     47      -4.6737      2.00000
     48      -4.3384      2.00000
     49      -4.3220      2.00000
     50      -4.1607      2.00000
     51      -4.1023      2.00000
     52      -3.5790      2.00000
     53      -3.5218      2.00000
     54      -3.1477      2.00000
     55      -2.6247      2.00000
     56      -2.5795      2.00000
     57      -2.4923      2.00000
     58      -2.2463      2.00000
     59      -2.2114      2.00000
     60      -1.9105      2.00012
     61      -1.8616      2.00045
     62      -1.3551      1.48924
     63      -1.3085      1.11992
     64      -1.3053      1.09293
     65      -0.8609     -0.00898
     66      -0.8472     -0.00695
     67      -0.7160     -0.00034
     68      -0.4204     -0.00000
     69      -0.3247     -0.00000
     70      -0.2754     -0.00000
     71       0.2373     -0.00000
     72       0.3310     -0.00000
     73       0.7566     -0.00000
     74       0.7732     -0.00000
     75       0.9122     -0.00000
     76       1.1783     -0.00000
     77       1.2382     -0.00000
     78       1.2465     -0.00000

 k-point    29 :       0.0484    0.0484    0.0000
  band No.  band energies     occupation 
      1     -13.6274      2.00000
      2     -12.6133      2.00000
      3     -11.4459      2.00000
      4     -11.3411      2.00000
      5     -11.3388      2.00000
      6     -10.4703      2.00000
      7     -10.4463      2.00000
      8     -10.3935      2.00000
      9     -10.3795      2.00000
     10     -10.1207      2.00000
     11      -9.2789      2.00000
     12      -9.2777      2.00000
     13      -9.0717      2.00000
     14      -8.8894      2.00000
     15      -8.7345      2.00000
     16      -8.7223      2.00000
     17      -8.1163      2.00000
     18      -8.1134      2.00000
     19      -7.9554      2.00000
     20      -7.8325      2.00000
     21      -7.8021      2.00000
     22      -7.7966      2.00000
     23      -7.3185      2.00000
     24      -7.2610      2.00000
     25      -7.1890      2.00000
     26      -7.1878      2.00000
     27      -7.0145      2.00000
     28      -7.0110      2.00000
     29      -6.5994      2.00000
     30      -6.5951      2.00000
     31      -6.5418      2.00000
     32      -6.5124      2.00000
     33      -6.4650      2.00000
     34      -6.4619      2.00000
     35      -6.0861      2.00000
     36      -6.0737      2.00000
     37      -6.0153      2.00000
     38      -5.9838      2.00000
     39      -5.9446      2.00000
     40      -5.6987      2.00000
     41      -5.6895      2.00000
     42      -5.6751      2.00000
     43      -5.6028      2.00000
     44      -5.2609      2.00000
     45      -4.7386      2.00000
     46      -4.7268      2.00000
     47      -4.6809      2.00000
     48      -4.3338      2.00000
     49      -4.3239      2.00000
     50      -4.1743      2.00000
     51      -4.0908      2.00000
     52      -3.5472      2.00000
     53      -3.5148      2.00000
     54      -3.1258      2.00000
     55      -2.6102      2.00000
     56      -2.5849      2.00000
     57      -2.4680      2.00000
     58      -2.2177      2.00000
     59      -2.1968      2.00000
     60      -1.8372      2.00084
     61      -1.8094      2.00164
     62      -1.4004      1.77265
     63      -1.3744      1.62168
     64      -1.3306      1.30170
     65      -0.8437     -0.00650
     66      -0.8265     -0.00462
     67      -0.7131     -0.00031
     68      -0.4295     -0.00000
     69      -0.3734     -0.00000
     70      -0.3141     -0.00000
     71       0.2801     -0.00000
     72       0.3467     -0.00000
     73       0.7729     -0.00000
     74       0.7856     -0.00000
     75       0.8957     -0.00000
     76       1.1814     -0.00000
     77       1.2226     -0.00000
     78       1.2251     -0.00000

 k-point    30 :       0.0323    0.0323    0.0000
  band No.  band energies     occupation 
      1     -13.6314      2.00000
      2     -12.6169      2.00000
      3     -11.4365      2.00000
      4     -11.3362      2.00000
      5     -11.3346      2.00000
      6     -10.4544      2.00000
      7     -10.4440      2.00000
      8     -10.3928      2.00000
      9     -10.3867      2.00000
     10     -10.1129      2.00000
     11      -9.2798      2.00000
     12      -9.2790      2.00000
     13      -9.0805      2.00000
     14      -8.9080      2.00000
     15      -8.7370      2.00000
     16      -8.7311      2.00000
     17      -8.1081      2.00000
     18      -8.1072      2.00000
     19      -7.9624      2.00000
     20      -7.8373      2.00000
     21      -7.8059      2.00000
     22      -7.8034      2.00000
     23      -7.3193      2.00000
     24      -7.2616      2.00000
     25      -7.1903      2.00000
     26      -7.1898      2.00000
     27      -7.0163      2.00000
     28      -7.0146      2.00000
     29      -6.5984      2.00000
     30      -6.5960      2.00000
     31      -6.5430      2.00000
     32      -6.5128      2.00000
     33      -6.4644      2.00000
     34      -6.4631      2.00000
     35      -6.0788      2.00000
     36      -6.0731      2.00000
     37      -6.0090      2.00000
     38      -5.9860      2.00000
     39      -5.9599      2.00000
     40      -5.6974      2.00000
     41      -5.6838      2.00000
     42      -5.6768      2.00000
     43      -5.6078      2.00000
     44      -5.2613      2.00000
     45      -4.7347      2.00000
     46      -4.7283      2.00000
     47      -4.6868      2.00000
     48      -4.3303      2.00000
     49      -4.3254      2.00000
     50      -4.1844      2.00000
     51      -4.0826      2.00000
     52      -3.5239      2.00000
     53      -3.5098      2.00000
     54      -3.1091      2.00000
     55      -2.6000      2.00000
     56      -2.5890      2.00000
     57      -2.4520      2.00000
     58      -2.1958      2.00000
     59      -2.1863      2.00000
     60      -1.7675      2.00413
     61      -1.7555      2.00527
     62      -1.4505      1.97022
     63      -1.4393      1.93677
     64      -1.3475      1.43319
     65      -0.8301     -0.00496
     66      -0.8194     -0.00399
     67      -0.6988     -0.00021
     68      -0.4375     -0.00000
     69      -0.4116     -0.00000
     70      -0.3422     -0.00000
     71       0.2729     -0.00000
     72       0.4036     -0.00000
     73       0.7767     -0.00000
     74       0.8086     -0.00000
     75       0.8724     -0.00000
     76       1.1841     -0.00000
     77       1.2037     -0.00000
     78       1.2174     -0.00000

 k-point    31 :       0.0161    0.0161    0.0000
  band No.  band energies     occupation 
      1     -13.6337      2.00000
      2     -12.6190      2.00000
      3     -11.4314      2.00000
      4     -11.3332      2.00000
      5     -11.3314      2.00000
      6     -10.4449      2.00000
      7     -10.4425      2.00000
      8     -10.3927      2.00000
      9     -10.3910      2.00000
     10     -10.1077      2.00000
     11      -9.2808      2.00000
     12      -9.2798      2.00000
     13      -9.0856      2.00000
     14      -8.9194      2.00000
     15      -8.7386      2.00000
     16      -8.7363      2.00000
     17      -8.1036      2.00000
     18      -8.1025      2.00000
     19      -7.9669      2.00000
     20      -7.8409      2.00000
     21      -7.8082      2.00000
     22      -7.8070      2.00000
     23      -7.3199      2.00000
     24      -7.2619      2.00000
     25      -7.1914      2.00000
     26      -7.1907      2.00000
     27      -7.0173      2.00000
     28      -7.0168      2.00000
     29      -6.5978      2.00000
     30      -6.5965      2.00000
     31      -6.5438      2.00000
     32      -6.5130      2.00000
     33      -6.4642      2.00000
     34      -6.4637      2.00000
     35      -6.0746      2.00000
     36      -6.0727      2.00000
     37      -5.9997      2.00000
     38      -5.9873      2.00000
     39      -5.9744      2.00000
     40      -5.6966      2.00000
     41      -5.6798      2.00000
     42      -5.6777      2.00000
     43      -5.6116      2.00000
     44      -5.2615      2.00000
     45      -4.7319      2.00000
     46      -4.7291      2.00000
     47      -4.6909      2.00000
     48      -4.3279      2.00000
     49      -4.3262      2.00000
     50      -4.1907      2.00000
     51      -4.0777      2.00000
     52      -3.5098      2.00000
     53      -3.5065      2.00000
     54      -3.0988      2.00000
     55      -2.5941      2.00000
     56      -2.5916      2.00000
     57      -2.4429      2.00000
     58      -2.1820      2.00000
     59      -2.1798      2.00000
     60      -1.7084      2.01264
     61      -1.7059      2.01319
     62      -1.4982      2.05408
     63      -1.4957      2.05169
     64      -1.3573      1.50520
     65      -0.8214     -0.00415
     66      -0.8183     -0.00389
     67      -0.6843     -0.00014
     68      -0.4432     -0.00000
     69      -0.4368     -0.00000
     70      -0.3591     -0.00000
     71       0.2636     -0.00000
     72       0.4475     -0.00000
     73       0.7864     -0.00000
     74       0.8239     -0.00000
     75       0.8459     -0.00000
     76       1.1856     -0.00000
     77       1.1908     -0.00000
     78       1.2126     -0.00000

 k-point    32 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.6345      2.00000
      2     -12.6198      2.00000
      3     -11.4298      2.00000
      4     -11.3324      2.00000
      5     -11.3301      2.00000
      6     -10.4425      2.00000
      7     -10.4412      2.00000
      8     -10.3931      2.00000
      9     -10.3920      2.00000
     10     -10.1059      2.00000
     11      -9.2813      2.00000
     12      -9.2801      2.00000
     13      -9.0873      2.00000
     14      -8.9233      2.00000
     15      -8.7392      2.00000
     16      -8.7379      2.00000
     17      -8.1021      2.00000
     18      -8.1008      2.00000
     19      -7.9685      2.00000
     20      -7.8421      2.00000
     21      -7.8090      2.00000
     22      -7.8081      2.00000
     23      -7.3200      2.00000
     24      -7.2620      2.00000
     25      -7.1918      2.00000
     26      -7.1910      2.00000
     27      -7.0176      2.00000
     28      -7.0175      2.00000
     29      -6.5975      2.00000
     30      -6.5966      2.00000
     31      -6.5441      2.00000
     32      -6.5131      2.00000
     33      -6.4642      2.00000
     34      -6.4638      2.00000
     35      -6.0734      2.00000
     36      -6.0724      2.00000
     37      -5.9889      2.00000
     38      -5.9877      2.00000
     39      -5.9870      2.00000
     40      -5.6963      2.00000
     41      -5.6784      2.00000
     42      -5.6779      2.00000
     43      -5.6130      2.00000
     44      -5.2616      2.00000
     45      -4.7309      2.00000
     46      -4.7294      2.00000
     47      -4.6924      2.00000
     48      -4.3272      2.00000
     49      -4.3265      2.00000
     50      -4.1928      2.00000
     51      -4.0761      2.00000
     52      -3.5066      2.00000
     53      -3.5039      2.00000
     54      -3.0953      2.00000
     55      -2.5929      2.00000
     56      -2.5918      2.00000
     57      -2.4400      2.00000
     58      -2.1783      2.00000
     59      -2.1767      2.00000
     60      -1.6816      2.01951
     61      -1.6806      2.01983
     62      -1.5233      2.06873
     63      -1.5213      2.06813
     64      -1.3606      1.52813
     65      -0.8191     -0.00396
     66      -0.8176     -0.00384
     67      -0.6783     -0.00012
     68      -0.4463     -0.00000
     69      -0.4447     -0.00000
     70      -0.3647     -0.00000
     71       0.2601     -0.00000
     72       0.4637     -0.00000
     73       0.7958     -0.00000
     74       0.8292     -0.00000
     75       0.8297     -0.00000
     76       1.1853     -0.00000
     77       1.1870     -0.00000
     78       1.2111     -0.00000

 k-point    33 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -13.6345      2.00000
      2     -12.6198      2.00000
      3     -11.4298      2.00000
      4     -11.3324      2.00000
      5     -11.3301      2.00000
      6     -10.4425      2.00000
      7     -10.4412      2.00000
      8     -10.3931      2.00000
      9     -10.3920      2.00000
     10     -10.1059      2.00000
     11      -9.2813      2.00000
     12      -9.2801      2.00000
     13      -9.0873      2.00000
     14      -8.9233      2.00000
     15      -8.7392      2.00000
     16      -8.7379      2.00000
     17      -8.1021      2.00000
     18      -8.1008      2.00000
     19      -7.9685      2.00000
     20      -7.8421      2.00000
     21      -7.8090      2.00000
     22      -7.8081      2.00000
     23      -7.3200      2.00000
     24      -7.2620      2.00000
     25      -7.1918      2.00000
     26      -7.1910      2.00000
     27      -7.0176      2.00000
     28      -7.0175      2.00000
     29      -6.5975      2.00000
     30      -6.5966      2.00000
     31      -6.5441      2.00000
     32      -6.5131      2.00000
     33      -6.4642      2.00000
     34      -6.4638      2.00000
     35      -6.0734      2.00000
     36      -6.0724      2.00000
     37      -5.9889      2.00000
     38      -5.9877      2.00000
     39      -5.9870      2.00000
     40      -5.6963      2.00000
     41      -5.6784      2.00000
     42      -5.6779      2.00000
     43      -5.6130      2.00000
     44      -5.2616      2.00000
     45      -4.7309      2.00000
     46      -4.7294      2.00000
     47      -4.6924      2.00000
     48      -4.3272      2.00000
     49      -4.3265      2.00000
     50      -4.1928      2.00000
     51      -4.0761      2.00000
     52      -3.5066      2.00000
     53      -3.5039      2.00000
     54      -3.0953      2.00000
     55      -2.5929      2.00000
     56      -2.5918      2.00000
     57      -2.4400      2.00000
     58      -2.1783      2.00000
     59      -2.1767      2.00000
     60      -1.6816      2.01951
     61      -1.6806      2.01983
     62      -1.5233      2.06873
     63      -1.5213      2.06813
     64      -1.3606      1.52813
     65      -0.8191     -0.00396
     66      -0.8176     -0.00384
     67      -0.6783     -0.00012
     68      -0.4463     -0.00000
     69      -0.4447     -0.00000
     70      -0.3647     -0.00000
     71       0.2601     -0.00000
     72       0.4637     -0.00000
     73       0.7959     -0.00000
     74       0.8292     -0.00000
     75       0.8297     -0.00000
     76       1.1857     -0.00000
     77       1.1885     -0.00000
     78       1.2482     -0.00000

 k-point    34 :       0.0215    0.0108    0.0000
  band No.  band energies     occupation 
      1     -13.6335      2.00000
      2     -12.6188      2.00000
      3     -11.4320      2.00000
      4     -11.3339      2.00000
      5     -11.3314      2.00000
      6     -10.4465      2.00000
      7     -10.4421      2.00000
      8     -10.3930      2.00000
      9     -10.3902      2.00000
     10     -10.1083      2.00000
     11      -9.2809      2.00000
     12      -9.2795      2.00000
     13      -9.0850      2.00000
     14      -8.9181      2.00000
     15      -8.7379      2.00000
     16      -8.7362      2.00000
     17      -8.1043      2.00000
     18      -8.1029      2.00000
     19      -7.9664      2.00000
     20      -7.8405      2.00000
     21      -7.8077      2.00000
     22      -7.8069      2.00000
     23      -7.3198      2.00000
     24      -7.2618      2.00000
     25      -7.1913      2.00000
     26      -7.1905      2.00000
     27      -7.0172      2.00000
     28      -7.0166      2.00000
     29      -6.5976      2.00000
     30      -6.5966      2.00000
     31      -6.5437      2.00000
     32      -6.5130      2.00000
     33      -6.4643      2.00000
     34      -6.4635      2.00000
     35      -6.0747      2.00000
     36      -6.0731      2.00000
     37      -6.0010      2.00000
     38      -5.9877      2.00000
     39      -5.9720      2.00000
     40      -5.6966      2.00000
     41      -5.6804      2.00000
     42      -5.6775      2.00000
     43      -5.6111      2.00000
     44      -5.2615      2.00000
     45      -4.7318      2.00000
     46      -4.7295      2.00000
     47      -4.6904      2.00000
     48      -4.3279      2.00000
     49      -4.3264      2.00000
     50      -4.1900      2.00000
     51      -4.0783      2.00000
     52      -3.5126      2.00000
     53      -3.5057      2.00000
     54      -3.0999      2.00000
     55      -2.5953      2.00000
     56      -2.5908      2.00000
     57      -2.4439      2.00000
     58      -2.1843      2.00000
     59      -2.1798      2.00000
     60      -1.7161      2.01106
     61      -1.7130      2.01168
     62      -1.4917      2.04748
     63      -1.4879      2.04301
     64      -1.3563      1.49761
     65      -0.8230     -0.00430
     66      -0.8176     -0.00384
     67      -0.6861     -0.00015
     68      -0.4418     -0.00000
     69      -0.4345     -0.00000
     70      -0.3573     -0.00000
     71       0.2647     -0.00000
     72       0.4423     -0.00000
     73       0.7845     -0.00000
     74       0.8221     -0.00000
     75       0.8499     -0.00000
     76       1.1850     -0.00000
     77       1.1929     -0.00000
     78       1.2136     -0.00000

 k-point    35 :       0.0430    0.0215    0.0000
  band No.  band energies     occupation 
      1     -13.6303      2.00000
      2     -12.6159      2.00000
      3     -11.4390      2.00000
      4     -11.3394      2.00000
      5     -11.3339      2.00000
      6     -10.4586      2.00000
      7     -10.4448      2.00000
      8     -10.3926      2.00000
      9     -10.3849      2.00000
     10     -10.1151      2.00000
     11      -9.2802      2.00000
     12      -9.2779      2.00000
     13      -9.0781      2.00000
     14      -8.9030      2.00000
     15      -8.7357      2.00000
     16      -8.7294      2.00000
     17      -8.1109      2.00000
     18      -8.1083      2.00000
     19      -7.9605      2.00000
     20      -7.8361      2.00000
     21      -7.8041      2.00000
     22      -7.8022      2.00000
     23      -7.3191      2.00000
     24      -7.2614      2.00000
     25      -7.1905      2.00000
     26      -7.1888      2.00000
     27      -7.0159      2.00000
     28      -7.0136      2.00000
     29      -6.5983      2.00000
     30      -6.5961      2.00000
     31      -6.5427      2.00000
     32      -6.5127      2.00000
     33      -6.4648      2.00000
     34      -6.4626      2.00000
     35      -6.0803      2.00000
     36      -6.0737      2.00000
     37      -6.0109      2.00000
     38      -5.9859      2.00000
     39      -5.9550      2.00000
     40      -5.6978      2.00000
     41      -5.6856      2.00000
     42      -5.6762      2.00000
     43      -5.6063      2.00000
     44      -5.2612      2.00000
     45      -4.7354      2.00000
     46      -4.7285      2.00000
     47      -4.6850      2.00000
     48      -4.3309      2.00000
     49      -4.3253      2.00000
     50      -4.1817      2.00000
     51      -4.0848      2.00000
     52      -3.5315      2.00000
     53      -3.5098      2.00000
     54      -3.1136      2.00000
     55      -2.6031      2.00000
     56      -2.5876      2.00000
     57      -2.4561      2.00000
     58      -2.2026      2.00000
     59      -2.1883      2.00000
     60      -1.7832      2.00296
     61      -1.7775      2.00334
     62      -1.4302      1.90490
     63      -1.4241      1.88156
     64      -1.3431      1.39966
     65      -0.8367     -0.00567
     66      -0.8174     -0.00382
     67      -0.7040     -0.00024
     68      -0.4331     -0.00000
     69      -0.4036     -0.00000
     70      -0.3343     -0.00000
     71       0.2763     -0.00000
     72       0.3862     -0.00000
     73       0.7748     -0.00000
     74       0.8011     -0.00000
     75       0.8818     -0.00000
     76       1.1817     -0.00000
     77       1.2121     -0.00000
     78       1.2201     -0.00000

 k-point    36 :       0.0645    0.0323    0.0000
  band No.  band energies     occupation 
      1     -13.6251      2.00000
      2     -12.6111      2.00000
      3     -11.4518      2.00000
      4     -11.3494      2.00000
      5     -11.3355      2.00000
      6     -10.4778      2.00000
      7     -10.4509      2.00000
      8     -10.3912      2.00000
      9     -10.3766      2.00000
     10     -10.1251      2.00000
     11      -9.2801      2.00000
     12      -9.2758      2.00000
     13      -9.0662      2.00000
     14      -8.8784      2.00000
     15      -8.7323      2.00000
     16      -8.7177      2.00000
     17      -8.1223      2.00000
     18      -8.1154      2.00000
     19      -7.9515      2.00000
     20      -7.8306      2.00000
     21      -7.7981      2.00000
     22      -7.7935      2.00000
     23      -7.3180      2.00000
     24      -7.2605      2.00000
     25      -7.1897      2.00000
     26      -7.1852      2.00000
     27      -7.0138      2.00000
     28      -7.0085      2.00000
     29      -6.5996      2.00000
     30      -6.5949      2.00000
     31      -6.5411      2.00000
     32      -6.5121      2.00000
     33      -6.4656      2.00000
     34      -6.4610      2.00000
     35      -6.0902      2.00000
     36      -6.0745      2.00000
     37      -6.0166      2.00000
     38      -5.9832      2.00000
     39      -5.9371      2.00000
     40      -5.6998      2.00000
     41      -5.6922      2.00000
     42      -5.6740      2.00000
     43      -5.6002      2.00000
     44      -5.2605      2.00000
     45      -4.7401      2.00000
     46      -4.7266      2.00000
     47      -4.6775      2.00000
     48      -4.3355      2.00000
     49      -4.3233      2.00000
     50      -4.1684      2.00000
     51      -4.0958      2.00000
     52      -3.5623      2.00000
     53      -3.5163      2.00000
     54      -3.1355      2.00000
     55      -2.6160      2.00000
     56      -2.5832      2.00000
     57      -2.4777      2.00000
     58      -2.2317      2.00000
     59      -2.2020      2.00000
     60      -1.8565      2.00052
     61      -1.8492      2.00062
     62      -1.3650      1.55897
     63      -1.3577      1.50821
     64      -1.3184      1.20216
     65      -0.8635     -0.00943
     66      -0.8175     -0.00383
     67      -0.7208     -0.00038
     68      -0.4185     -0.00000
     69      -0.3637     -0.00000
     70      -0.2925     -0.00000
     71       0.2701     -0.00000
     72       0.3309     -0.00000
     73       0.7608     -0.00000
     74       0.7791     -0.00000
     75       0.9119     -0.00000
     76       1.1754     -0.00000
     77       1.2237     -0.00000
     78       1.2435     -0.00000

 k-point    37 :       0.0860    0.0430    0.0000
  band No.  band energies     occupation 
      1     -13.6178      2.00000
      2     -12.6044      2.00000
      3     -11.4711      2.00000
      4     -11.3640      2.00000
      5     -11.3348      2.00000
      6     -10.5031      2.00000
      7     -10.4619      2.00000
      8     -10.3883      2.00000
      9     -10.3654      2.00000
     10     -10.1364      2.00000
     11      -9.2812      2.00000
     12      -9.2742      2.00000
     13      -9.0495      2.00000
     14      -8.8455      2.00000
     15      -8.7275      2.00000
     16      -8.7010      2.00000
     17      -8.1378      2.00000
     18      -8.1230      2.00000
     19      -7.9401      2.00000
     20      -7.8255      2.00000
     21      -7.7898      2.00000
     22      -7.7800      2.00000
     23      -7.3166      2.00000
     24      -7.2593      2.00000
     25      -7.1894      2.00000
     26      -7.1796      2.00000
     27      -7.0111      2.00000
     28      -7.0015      2.00000
     29      -6.6014      2.00000
     30      -6.5933      2.00000
     31      -6.5390      2.00000
     32      -6.5113      2.00000
     33      -6.4667      2.00000
     34      -6.4588      2.00000
     35      -6.1038      2.00000
     36      -6.0757      2.00000
     37      -6.0181      2.00000
     38      -5.9795      2.00000
     39      -5.9185      2.00000
     40      -5.7038      2.00000
     41      -5.6981      2.00000
     42      -5.6708      2.00000
     43      -5.5942      2.00000
     44      -5.2595      2.00000
     45      -4.7451      2.00000
     46      -4.7239      2.00000
     47      -4.6686      2.00000
     48      -4.3412      2.00000
     49      -4.3206      2.00000
     50      -4.1506      2.00000
     51      -4.1114      2.00000
     52      -3.6035      2.00000
     53      -3.5252      2.00000
     54      -3.1643      2.00000
     55      -2.6338      2.00000
     56      -2.5800      2.00000
     57      -2.5087      2.00000
     58      -2.2710      2.00000
     59      -2.2205      2.00000
     60      -1.9313      2.00006
     61      -1.9178      2.00010
     62      -1.3172      1.19211
     63      -1.2935      0.99375
     64      -1.2725      0.81644
     65      -0.9052     -0.01898
     66      -0.8173     -0.00381
     67      -0.7282     -0.00047
     68      -0.3981     -0.00000
     69      -0.3226     -0.00000
     70      -0.2296     -0.00000
     71       0.1890     -0.00000
     72       0.3426     -0.00000
     73       0.7155     -0.00000
     74       0.7816     -0.00000
     75       0.9393     -0.00000
     76       1.1667     -0.00000
     77       1.2244     -0.00000
     78       1.2780     -0.00000

 k-point    38 :       0.1075    0.0538    0.0000
  band No.  band energies     occupation 
      1     -13.6084      2.00000
      2     -12.5957      2.00000
      3     -11.4969      2.00000
      4     -11.3829      2.00000
      5     -11.3313      2.00000
      6     -10.5336      2.00000
      7     -10.4784      2.00000
      8     -10.3838      2.00000
      9     -10.3517      2.00000
     10     -10.1471      2.00000
     11      -9.2845      2.00000
     12      -9.2739      2.00000
     13      -9.0282      2.00000
     14      -8.8056      2.00000
     15      -8.7210      2.00000
     16      -8.6793      2.00000
     17      -8.1570      2.00000
     18      -8.1300      2.00000
     19      -7.9266      2.00000
     20      -7.8208      2.00000
     21      -7.7797      2.00000
     22      -7.7621      2.00000
     23      -7.3149      2.00000
     24      -7.2575      2.00000
     25      -7.1895      2.00000
     26      -7.1720      2.00000
     27      -7.0078      2.00000
     28      -6.9925      2.00000
     29      -6.6035      2.00000
     30      -6.5911      2.00000
     31      -6.5367      2.00000
     32      -6.5102      2.00000
     33      -6.4680      2.00000
     34      -6.4561      2.00000
     35      -6.1198      2.00000
     36      -6.0771      2.00000
     37      -6.0164      2.00000
     38      -5.9752      2.00000
     39      -5.8994      2.00000
     40      -5.7102      2.00000
     41      -5.7018      2.00000
     42      -5.6663      2.00000
     43      -5.5893      2.00000
     44      -5.2580      2.00000
     45      -4.7499      2.00000
     46      -4.7205      2.00000
     47      -4.6587      2.00000
     48      -4.3477      2.00000
     49      -4.3172      2.00000
     50      -4.1328      2.00000
     51      -4.1278      2.00000
     52      -3.6532      2.00000
     53      -3.5364      2.00000
     54      -3.1989      2.00000
     55      -2.6565      2.00000
     56      -2.5882      2.00000
     57      -2.5406      2.00000
     58      -2.3211      2.00000
     59      -2.2434      2.00000
     60      -2.0046      2.00001
     61      -1.9780      2.00001
     62      -1.2820      0.89624
     63      -1.2429      0.58044
     64      -1.2100      0.35226
     65      -0.9556     -0.03766
     66      -0.8147     -0.00361
     67      -0.7258     -0.00044
     68      -0.3725     -0.00000
     69      -0.2815     -0.00000
     70      -0.1495     -0.00000
     71       0.0892     -0.00000
     72       0.3709     -0.00000
     73       0.6582     -0.00000
     74       0.7883     -0.00000
     75       0.9657     -0.00000
     76       1.1566     -0.00000
     77       1.2192     -0.00000
     78       1.3111     -0.00000

 k-point    39 :       0.1290    0.0645    0.0000
  band No.  band energies     occupation 
      1     -13.5970      2.00000
      2     -12.5852      2.00000
      3     -11.5284      2.00000
      4     -11.4058      2.00000
      5     -11.3251      2.00000
      6     -10.5686      2.00000
      7     -10.5008      2.00000
      8     -10.3779      2.00000
      9     -10.3358      2.00000
     10     -10.1554      2.00000
     11      -9.2910      2.00000
     12      -9.2750      2.00000
     13      -9.0031      2.00000
     14      -8.7602      2.00000
     15      -8.7124      2.00000
     16      -8.6530      2.00000
     17      -8.1793      2.00000
     18      -8.1356      2.00000
     19      -7.9113      2.00000
     20      -7.8161      2.00000
     21      -7.7683      2.00000
     22      -7.7408      2.00000
     23      -7.3131      2.00000
     24      -7.2548      2.00000
     25      -7.1903      2.00000
     26      -7.1623      2.00000
     27      -7.0040      2.00000
     28      -6.9816      2.00000
     29      -6.6059      2.00000
     30      -6.5883      2.00000
     31      -6.5342      2.00000
     32      -6.5085      2.00000
     33      -6.4694      2.00000
     34      -6.4527      2.00000
     35      -6.1374      2.00000
     36      -6.0788      2.00000
     37      -6.0123      2.00000
     38      -5.9704      2.00000
     39      -5.8803      2.00000
     40      -5.7169      2.00000
     41      -5.7048      2.00000
     42      -5.6604      2.00000
     43      -5.5862      2.00000
     44      -5.2560      2.00000
     45      -4.7541      2.00000
     46      -4.7164      2.00000
     47      -4.6480      2.00000
     48      -4.3551      2.00000
     49      -4.3131      2.00000
     50      -4.1575      2.00000
     51      -4.1029      2.00000
     52      -3.7092      2.00000
     53      -3.5497      2.00000
     54      -3.2383      2.00000
     55      -2.6845      2.00000
     56      -2.6294      2.00000
     57      -2.5526      2.00000
     58      -2.3816      2.00000
     59      -2.2718      2.00000
     60      -2.0716      2.00000
     61      -2.0285      2.00000
     62      -1.2474      0.61517
     63      -1.2212      0.42494
     64      -1.1447      0.04897
     65      -0.9998     -0.05772
     66      -0.8072     -0.00307
     67      -0.7176     -0.00035
     68      -0.3425     -0.00000
     69      -0.2403     -0.00000
     70      -0.0578     -0.00000
     71      -0.0073     -0.00000
     72       0.4007     -0.00000
     73       0.5931     -0.00000
     74       0.7963     -0.00000
     75       0.9920     -0.00000
     76       1.1467     -0.00000
     77       1.2102     -0.00000
     78       1.3383     -0.00000

 k-point    40 :       0.1505    0.0753    0.0000
  band No.  band energies     occupation 
      1     -13.5835      2.00000
      2     -12.5728      2.00000
      3     -11.5645      2.00000
      4     -11.4323      2.00000
      5     -11.3166      2.00000
      6     -10.6070      2.00000
      7     -10.5290      2.00000
      8     -10.3706      2.00000
      9     -10.3185      2.00000
     10     -10.1601      2.00000
     11      -9.3011      2.00000
     12      -9.2773      2.00000
     13      -8.9757      2.00000
     14      -8.7121      2.00000
     15      -8.7001      2.00000
     16      -8.6222      2.00000
     17      -8.2042      2.00000
     18      -8.1392      2.00000
     19      -7.8941      2.00000
     20      -7.8106      2.00000
     21      -7.7558      2.00000
     22      -7.7174      2.00000
     23      -7.3114      2.00000
     24      -7.2511      2.00000
     25      -7.1916      2.00000
     26      -7.1508      2.00000
     27      -6.9999      2.00000
     28      -6.9690      2.00000
     29      -6.6084      2.00000
     30      -6.5849      2.00000
     31      -6.5318      2.00000
     32      -6.5062      2.00000
     33      -6.4710      2.00000
     34      -6.4488      2.00000
     35      -6.1557      2.00000
     36      -6.0807      2.00000
     37      -6.0065      2.00000
     38      -5.9651      2.00000
     39      -5.8617      2.00000
     40      -5.7230      2.00000
     41      -5.7075      2.00000
     42      -5.6525      2.00000
     43      -5.5852      2.00000
     44      -5.2533      2.00000
     45      -4.7576      2.00000
     46      -4.7118      2.00000
     47      -4.6368      2.00000
     48      -4.3634      2.00000
     49      -4.3083      2.00000
     50      -4.1879      2.00000
     51      -4.0739      2.00000
     52      -3.7687      2.00000
     53      -3.5648      2.00000
     54      -3.2819      2.00000
     55      -2.7203      2.00000
     56      -2.6887      2.00000
     57      -2.5598      2.00000
     58      -2.4482      2.00000
     59      -2.3077      2.00000
     60      -2.1280      2.00000
     61      -2.0695      2.00000
     62      -1.2461      0.60477
     63      -1.2110      0.35838
     64      -1.0828     -0.06018
     65      -1.0188     -0.06512
     66      -0.7928     -0.00224
     67      -0.7081     -0.00027
     68      -0.3117     -0.00000
     69      -0.2058     -0.00000
     70      -0.0812     -0.00000
     71       0.0396     -0.00000
     72       0.4279     -0.00000
     73       0.5241     -0.00000
     74       0.8052     -0.00000
     75       1.0182     -0.00000
     76       1.1386     -0.00000
     77       1.2011     -0.00000
     78       1.3585     -0.00000

 k-point    41 :       0.1720    0.0860    0.0000
  band No.  band energies     occupation 
      1     -13.5680      2.00000
      2     -12.5586      2.00000
      3     -11.6045      2.00000
      4     -11.4621      2.00000
      5     -11.3061      2.00000
      6     -10.6480      2.00000
      7     -10.5623      2.00000
      8     -10.3620      2.00000
      9     -10.3002      2.00000
     10     -10.1605      2.00000
     11      -9.3148      2.00000
     12      -9.2810      2.00000
     13      -8.9477      2.00000
     14      -8.6884      2.00000
     15      -8.6583      2.00000
     16      -8.5876      2.00000
     17      -8.2309      2.00000
     18      -8.1403      2.00000
     19      -7.8753      2.00000
     20      -7.8039      2.00000
     21      -7.7426      2.00000
     22      -7.6925      2.00000
     23      -7.3096      2.00000
     24      -7.2461      2.00000
     25      -7.1934      2.00000
     26      -7.1378      2.00000
     27      -6.9954      2.00000
     28      -6.9550      2.00000
     29      -6.6111      2.00000
     30      -6.5809      2.00000
     31      -6.5296      2.00000
     32      -6.5031      2.00000
     33      -6.4726      2.00000
     34      -6.4444      2.00000
     35      -6.1743      2.00000
     36      -6.0826      2.00000
     37      -5.9992      2.00000
     38      -5.9593      2.00000
     39      -5.8441      2.00000
     40      -5.7280      2.00000
     41      -5.7099      2.00000
     42      -5.6423      2.00000
     43      -5.5863      2.00000
     44      -5.2502      2.00000
     45      -4.7601      2.00000
     46      -4.7066      2.00000
     47      -4.6252      2.00000
     48      -4.3736      2.00000
     49      -4.3034      2.00000
     50      -4.2224      2.00000
     51      -4.0418      2.00000
     52      -3.8294      2.00000
     53      -3.5814      2.00000
     54      -3.3291      2.00000
     55      -2.7772      2.00000
     56      -2.7417      2.00000
     57      -2.5862      2.00000
     58      -2.5061      2.00000
     59      -2.3498      2.00000
     60      -2.1730      2.00000
     61      -2.1016      2.00000
     62      -1.3095      1.12806
     63      -1.1775      0.17467
     64      -1.0281     -0.06793
     65      -1.0150     -0.06381
     66      -0.7725     -0.00141
     67      -0.7020     -0.00023
     68      -0.2932     -0.00000
     69      -0.1955     -0.00000
     70      -0.0921     -0.00000
     71       0.1351     -0.00000
     72       0.4331     -0.00000
     73       0.4750     -0.00000
     74       0.8170     -0.00000
     75       1.0435     -0.00000
     76       1.1344     -0.00000
     77       1.1951     -0.00000
     78       1.3727     -0.00000

 k-point    42 :       0.1935    0.0968    0.0000
  band No.  band energies     occupation 
      1     -13.5506      2.00000
      2     -12.5425      2.00000
      3     -11.6475      2.00000
      4     -11.4946      2.00000
      5     -11.2942      2.00000
      6     -10.6905      2.00000
      7     -10.6000      2.00000
      8     -10.3521      2.00000
      9     -10.2815      2.00000
     10     -10.1567      2.00000
     11      -9.3319      2.00000
     12      -9.2858      2.00000
     13      -8.9212      2.00000
     14      -8.6703      2.00000
     15      -8.6073      2.00000
     16      -8.5496      2.00000
     17      -8.2585      2.00000
     18      -8.1385      2.00000
     19      -7.8554      2.00000
     20      -7.7952      2.00000
     21      -7.7288      2.00000
     22      -7.6668      2.00000
     23      -7.3080      2.00000
     24      -7.2398      2.00000
     25      -7.1955      2.00000
     26      -7.1234      2.00000
     27      -6.9906      2.00000
     28      -6.9397      2.00000
     29      -6.6138      2.00000
     30      -6.5761      2.00000
     31      -6.5276      2.00000
     32      -6.4992      2.00000
     33      -6.4741      2.00000
     34      -6.4395      2.00000
     35      -6.1927      2.00000
     36      -6.0847      2.00000
     37      -5.9911      2.00000
     38      -5.9530      2.00000
     39      -5.8286      2.00000
     40      -5.7321      2.00000
     41      -5.7113      2.00000
     42      -5.6295      2.00000
     43      -5.5893      2.00000
     44      -5.2467      2.00000
     45      -4.7617      2.00000
     46      -4.7011      2.00000
     47      -4.6137      2.00000
     48      -4.3876      2.00000
     49      -4.3005      2.00000
     50      -4.2567      2.00000
     51      -4.0077      2.00000
     52      -3.8883      2.00000
     53      -3.5993      2.00000
     54      -3.3794      2.00000
     55      -2.8544      2.00000
     56      -2.7865      2.00000
     57      -2.6485      2.00000
     58      -2.5405      2.00000
     59      -2.3914      2.00000
     60      -2.2111      2.00000
     61      -2.1256      2.00000
     62      -1.3933      1.73474
     63      -1.1483      0.06015
     64      -1.0080     -0.06114
     65      -0.9825     -0.04992
     66      -0.7576     -0.00098
     67      -0.6940     -0.00019
     68      -0.3009     -0.00000
     69      -0.1729     -0.00000
     70      -0.0534     -0.00000
     71       0.2119     -0.00000
     72       0.3809     -0.00000
     73       0.4962     -0.00000
     74       0.8340     -0.00000
     75       1.0673     -0.00000
     76       1.1335     -0.00000
     77       1.1956     -0.00000
     78       1.3829     -0.00000

 k-point    43 :       0.2151    0.1075    0.0000
  band No.  band energies     occupation 
      1     -13.5312      2.00000
      2     -12.5247      2.00000
      3     -11.6928      2.00000
      4     -11.5294      2.00000
      5     -11.2813      2.00000
      6     -10.7336      2.00000
      7     -10.6411      2.00000
      8     -10.3409      2.00000
      9     -10.2626      2.00000
     10     -10.1489      2.00000
     11      -9.3519      2.00000
     12      -9.2916      2.00000
     13      -8.8978      2.00000
     14      -8.6482      2.00000
     15      -8.5588      2.00000
     16      -8.5089      2.00000
     17      -8.2854      2.00000
     18      -8.1335      2.00000
     19      -7.8351      2.00000
     20      -7.7838      2.00000
     21      -7.7146      2.00000
     22      -7.6409      2.00000
     23      -7.3065      2.00000
     24      -7.2320      2.00000
     25      -7.1979      2.00000
     26      -7.1082      2.00000
     27      -6.9854      2.00000
     28      -6.9234      2.00000
     29      -6.6165      2.00000
     30      -6.5707      2.00000
     31      -6.5256      2.00000
     32      -6.4944      2.00000
     33      -6.4756      2.00000
     34      -6.4341      2.00000
     35      -6.2105      2.00000
     36      -6.0868      2.00000
     37      -5.9825      2.00000
     38      -5.9460      2.00000
     39      -5.8158      2.00000
     40      -5.7354      2.00000
     41      -5.7113      2.00000
     42      -5.6161      2.00000
     43      -5.5916      2.00000
     44      -5.2432      2.00000
     45      -4.7620      2.00000
     46      -4.6952      2.00000
     47      -4.6029      2.00000
     48      -4.4098      2.00000
     49      -4.3114      2.00000
     50      -4.2738      2.00000
     51      -3.9781      2.00000
     52      -3.9382      2.00000
     53      -3.6181      2.00000
     54      -3.4321      2.00000
     55      -2.9399      2.00000
     56      -2.8336      2.00000
     57      -2.7267      2.00000
     58      -2.5719      2.00000
     59      -2.4254      2.00000
     60      -2.2468      2.00000
     61      -2.1428      2.00000
     62      -1.4858      2.04026
     63      -1.1264      0.00108
     64      -1.0110     -0.06230
     65      -0.9515     -0.03591
     66      -0.7630     -0.00112
     67      -0.6634     -0.00008
     68      -0.3043     -0.00000
     69      -0.1283     -0.00000
     70      -0.0053     -0.00000
     71       0.2306     -0.00000
     72       0.3608     -0.00000
     73       0.5397     -0.00000
     74       0.8586     -0.00000
     75       1.0906     -0.00000
     76       1.1347     -0.00000
     77       1.2051     -0.00000
     78       1.3914     -0.00000

 k-point    44 :       0.2366    0.1183    0.0000
  band No.  band energies     occupation 
      1     -13.5099      2.00000
      2     -12.5051      2.00000
      3     -11.7398      2.00000
      4     -11.5661      2.00000
      5     -11.2679      2.00000
      6     -10.7762      2.00000
      7     -10.6847      2.00000
      8     -10.3283      2.00000
      9     -10.2438      2.00000
     10     -10.1378      2.00000
     11      -9.3744      2.00000
     12      -9.2983      2.00000
     13      -8.8788      2.00000
     14      -8.6224      2.00000
     15      -8.5163      2.00000
     16      -8.4673      2.00000
     17      -8.3083      2.00000
     18      -8.1247      2.00000
     19      -7.8158      2.00000
     20      -7.7684      2.00000
     21      -7.7002      2.00000
     22      -7.6150      2.00000
     23      -7.3049      2.00000
     24      -7.2228      2.00000
     25      -7.2003      2.00000
     26      -7.0924      2.00000
     27      -6.9798      2.00000
     28      -6.9064      2.00000
     29      -6.6191      2.00000
     30      -6.5648      2.00000
     31      -6.5230      2.00000
     32      -6.4889      2.00000
     33      -6.4770      2.00000
     34      -6.4283      2.00000
     35      -6.2275      2.00000
     36      -6.0890      2.00000
     37      -5.9740      2.00000
     38      -5.9382      2.00000
     39      -5.8061      2.00000
     40      -5.7383      2.00000
     41      -5.7092      2.00000
     42      -5.6129      2.00000
     43      -5.5817      2.00000
     44      -5.2397      2.00000
     45      -4.7612      2.00000
     46      -4.6892      2.00000
     47      -4.5945      2.00000
     48      -4.4445      2.00000
     49      -4.3330      2.00000
     50      -4.2700      2.00000
     51      -4.0072      2.00000
     52      -3.9248      2.00000
     53      -3.6373      2.00000
     54      -3.4866      2.00000
     55      -3.0305      2.00000
     56      -2.8846      2.00000
     57      -2.8070      2.00000
     58      -2.6105      2.00000
     59      -2.4514      2.00000
     60      -2.2821      2.00000
     61      -2.1553      2.00000
     62      -1.5812      2.06089
     63      -1.1133     -0.02452
     64      -1.0436     -0.07067
     65      -0.9352     -0.02920
     66      -0.7609     -0.00106
     67      -0.6162     -0.00002
     68      -0.2890     -0.00000
     69      -0.0788     -0.00000
     70       0.0339     -0.00000
     71       0.2038     -0.00000
     72       0.3764     -0.00000
     73       0.6015     -0.00000
     74       0.8914     -0.00000
     75       1.1165     -0.00000
     76       1.1382     -0.00000
     77       1.2244     -0.00000
     78       1.4048     -0.00000

 k-point    45 :       0.2581    0.1290    0.0000
  band No.  band energies     occupation 
      1     -13.4867      2.00000
      2     -12.4839      2.00000
      3     -11.7878      2.00000
      4     -11.6043      2.00000
      5     -11.2549      2.00000
      6     -10.8173      2.00000
      7     -10.7302      2.00000
      8     -10.3145      2.00000
      9     -10.2253      2.00000
     10     -10.1238      2.00000
     11      -9.3987      2.00000
     12      -9.3057      2.00000
     13      -8.8646      2.00000
     14      -8.5944      2.00000
     15      -8.4835      2.00000
     16      -8.4292      2.00000
     17      -8.3195      2.00000
     18      -8.1118      2.00000
     19      -7.7984      2.00000
     20      -7.7486      2.00000
     21      -7.6856      2.00000
     22      -7.5895      2.00000
     23      -7.3033      2.00000
     24      -7.2123      2.00000
     25      -7.2025      2.00000
     26      -7.0766      2.00000
     27      -6.9734      2.00000
     28      -6.8890      2.00000
     29      -6.6218      2.00000
     30      -6.5587      2.00000
     31      -6.5192      2.00000
     32      -6.4829      2.00000
     33      -6.4779      2.00000
     34      -6.4221      2.00000
     35      -6.2433      2.00000
     36      -6.0913      2.00000
     37      -5.9660      2.00000
     38      -5.9295      2.00000
     39      -5.7991      2.00000
     40      -5.7409      2.00000
     41      -5.7048      2.00000
     42      -5.6204      2.00000
     43      -5.5589      2.00000
     44      -5.2367      2.00000
     45      -4.7592      2.00000
     46      -4.6832      2.00000
     47      -4.5934      2.00000
     48      -4.4865      2.00000
     49      -4.3485      2.00000
     50      -4.2610      2.00000
     51      -4.0563      2.00000
     52      -3.8885      2.00000
     53      -3.6563      2.00000
     54      -3.5417      2.00000
     55      -3.1242      2.00000
     56      -2.9388      2.00000
     57      -2.8852      2.00000
     58      -2.6537      2.00000
     59      -2.4750      2.00000
     60      -2.3171      2.00000
     61      -2.1657      2.00000
     62      -1.6754      2.02143
     63      -1.1157     -0.02035
     64      -1.1055     -0.03655
     65      -0.9265     -0.02597
     66      -0.7357     -0.00057
     67      -0.5625     -0.00000
     68      -0.2599     -0.00000
     69      -0.0474     -0.00000
     70       0.0533     -0.00000
     71       0.2085     -0.00000
     72       0.3897     -0.00000
     73       0.6702     -0.00000
     74       0.9298     -0.00000
     75       1.1348     -0.00000
     76       1.1561     -0.00000
     77       1.2456     -0.00000
     78       1.4110     -0.00000

 k-point    46 :       0.2796    0.1398    0.0000
  band No.  band energies     occupation 
      1     -13.4618      2.00000
      2     -12.4612      2.00000
      3     -11.8365      2.00000
      4     -11.6436      2.00000
      5     -11.2434      2.00000
      6     -10.8552      2.00000
      7     -10.7769      2.00000
      8     -10.2997      2.00000
      9     -10.2072      2.00000
     10     -10.1074      2.00000
     11      -9.4244      2.00000
     12      -9.3136      2.00000
     13      -8.8552      2.00000
     14      -8.5686      2.00000
     15      -8.4653      2.00000
     16      -8.3991      2.00000
     17      -8.3083      2.00000
     18      -8.0945      2.00000
     19      -7.7825      2.00000
     20      -7.7253      2.00000
     21      -7.6709      2.00000
     22      -7.5644      2.00000
     23      -7.3016      2.00000
     24      -7.2044      2.00000
     25      -7.2005      2.00000
     26      -7.0612      2.00000
     27      -6.9662      2.00000
     28      -6.8715      2.00000
     29      -6.6244      2.00000
     30      -6.5531      2.00000
     31      -6.5134      2.00000
     32      -6.4800      2.00000
     33      -6.4749      2.00000
     34      -6.4155      2.00000
     35      -6.2577      2.00000
     36      -6.0936      2.00000
     37      -5.9588      2.00000
     38      -5.9201      2.00000
     39      -5.7939      2.00000
     40      -5.7431      2.00000
     41      -5.6985      2.00000
     42      -5.6309      2.00000
     43      -5.5309      2.00000
     44      -5.2343      2.00000
     45      -4.7565      2.00000
     46      -4.6774      2.00000
     47      -4.6136      2.00000
     48      -4.5157      2.00000
     49      -4.3588      2.00000
     50      -4.2500      2.00000
     51      -4.1039      2.00000
     52      -3.8543      2.00000
     53      -3.6746      2.00000
     54      -3.5948      2.00000
     55      -3.2186      2.00000
     56      -2.9961      2.00000
     57      -2.9591      2.00000
     58      -2.6981      2.00000
     59      -2.5017      2.00000
     60      -2.3508      2.00000
     61      -2.1776      2.00000
     62      -1.7642      2.00441
     63      -1.2054      0.32415
     64      -1.1095     -0.03061
     65      -0.9222     -0.02443
     66      -0.6983     -0.00021
     67      -0.5062     -0.00000
     68      -0.2233     -0.00000
     69      -0.0697     -0.00000
     70       0.0931     -0.00000
     71       0.2516     -0.00000
     72       0.4018     -0.00000
     73       0.7349     -0.00000
     74       0.9675     -0.00000
     75       1.1417     -0.00000
     76       1.1954     -0.00000
     77       1.2725     -0.00000
     78       1.4199     -0.00000

 k-point    47 :       0.3011    0.1505    0.0000
  band No.  band energies     occupation 
      1     -13.4352      2.00000
      2     -12.4370      2.00000
      3     -11.8854      2.00000
      4     -11.6837      2.00000
      5     -11.2351      2.00000
      6     -10.8879      2.00000
      7     -10.8242      2.00000
      8     -10.2839      2.00000
      9     -10.1897      2.00000
     10     -10.0890      2.00000
     11      -9.4510      2.00000
     12      -9.3218      2.00000
     13      -8.8500      2.00000
     14      -8.5547      2.00000
     15      -8.4555      2.00000
     16      -8.3729      2.00000
     17      -8.2775      2.00000
     18      -8.0727      2.00000
     19      -7.7670      2.00000
     20      -7.7004      2.00000
     21      -7.6560      2.00000
     22      -7.5400      2.00000
     23      -7.2997      2.00000
     24      -7.2054      2.00000
     25      -7.1880      2.00000
     26      -7.0467      2.00000
     27      -6.9579      2.00000
     28      -6.8543      2.00000
     29      -6.6269      2.00000
     30      -6.5482      2.00000
     31      -6.5060      2.00000
     32      -6.4789      2.00000
     33      -6.4677      2.00000
     34      -6.4085      2.00000
     35      -6.2705      2.00000
     36      -6.0960      2.00000
     37      -5.9526      2.00000
     38      -5.9107      2.00000
     39      -5.7897      2.00000
     40      -5.7449      2.00000
     41      -5.6913      2.00000
     42      -5.6417      2.00000
     43      -5.4999      2.00000
     44      -5.2327      2.00000
     45      -4.7546      2.00000
     46      -4.6725      2.00000
     47      -4.6585      2.00000
     48      -4.5213      2.00000
     49      -4.3670      2.00000
     50      -4.2379      2.00000
     51      -4.1487      2.00000
     52      -3.8307      2.00000
     53      -3.6929      2.00000
     54      -3.6389      2.00000
     55      -3.3104      2.00000
     56      -3.0586      2.00000
     57      -3.0252      2.00000
     58      -2.7425      2.00000
     59      -2.5344      2.00000
     60      -2.3829      2.00000
     61      -2.1956      2.00000
     62      -1.8422      2.00074
     63      -1.3070      1.10741
     64      -1.1171     -0.01785
     65      -0.9228     -0.02464
     66      -0.6610     -0.00007
     67      -0.4490     -0.00000
     68      -0.1833     -0.00000
     69      -0.1154     -0.00000
     70       0.1526     -0.00000
     71       0.3046     -0.00000
     72       0.4224     -0.00000
     73       0.7930     -0.00000
     74       0.9996     -0.00000
     75       1.1527     -0.00000
     76       1.2297     -0.00000
     77       1.3102     -0.00000
     78       1.4449     -0.00000

 k-point    48 :       0.3226    0.1613    0.0000
  band No.  band energies     occupation 
      1     -13.4069      2.00000
      2     -12.4116      2.00000
      3     -11.9338      2.00000
      4     -11.7240      2.00000
      5     -11.2323      2.00000
      6     -10.9131      2.00000
      7     -10.8717      2.00000
      8     -10.2676      2.00000
      9     -10.1729      2.00000
     10     -10.0687      2.00000
     11      -9.4779      2.00000
     12      -9.3303      2.00000
     13      -8.8488      2.00000
     14      -8.5627      2.00000
     15      -8.4363      2.00000
     16      -8.3476      2.00000
     17      -8.2400      2.00000
     18      -8.0469      2.00000
     19      -7.7511      2.00000
     20      -7.6759      2.00000
     21      -7.6409      2.00000
     22      -7.5164      2.00000
     23      -7.2977      2.00000
     24      -7.2054      2.00000
     25      -7.1747      2.00000
     26      -7.0334      2.00000
     27      -6.9483      2.00000
     28      -6.8377      2.00000
     29      -6.6293      2.00000
     30      -6.5439      2.00000
     31      -6.5005      2.00000
     32      -6.4731      2.00000
     33      -6.4595      2.00000
     34      -6.4011      2.00000
     35      -6.2813      2.00000
     36      -6.0983      2.00000
     37      -5.9472      2.00000
     38      -5.9022      2.00000
     39      -5.7857      2.00000
     40      -5.7456      2.00000
     41      -5.6863      2.00000
     42      -5.6487      2.00000
     43      -5.4677      2.00000
     44      -5.2319      2.00000
     45      -4.7633      2.00000
     46      -4.7043      2.00000
     47      -4.6663      2.00000
     48      -4.5164      2.00000
     49      -4.3754      2.00000
     50      -4.2255      2.00000
     51      -4.1895      2.00000
     52      -3.8310      2.00000
     53      -3.7164      2.00000
     54      -3.6581      2.00000
     55      -3.3947      2.00000
     56      -3.1272      2.00000
     57      -3.0812      2.00000
     58      -2.7867      2.00000
     59      -2.5739      2.00000
     60      -2.4140      2.00000
     61      -2.2249      2.00000
     62      -1.9033      2.00014
     63      -1.4111      1.82538
     64      -1.1294      0.00793
     65      -0.9293     -0.02697
     66      -0.6343     -0.00003
     67      -0.3918     -0.00000
     68      -0.1610     -0.00000
     69      -0.1350     -0.00000
     70       0.2147     -0.00000
     71       0.3531     -0.00000
     72       0.4615     -0.00000
     73       0.8462     -0.00000
     74       1.0252     -0.00000
     75       1.1687     -0.00000
     76       1.2497     -0.00000
     77       1.3526     -0.00000
     78       1.4883     -0.00000

 k-point    49 :       0.3441    0.1720    0.0000
  band No.  band energies     occupation 
      1     -13.3771      2.00000
      2     -12.3853      2.00000
      3     -11.9814      2.00000
      4     -11.7643      2.00000
      5     -11.2371      2.00000
      6     -10.9283      2.00000
      7     -10.9191      2.00000
      8     -10.2514      2.00000
      9     -10.1569      2.00000
     10     -10.0466      2.00000
     11      -9.5048      2.00000
     12      -9.3387      2.00000
     13      -8.8511      2.00000
     14      -8.5869      2.00000
     15      -8.4069      2.00000
     16      -8.3241      2.00000
     17      -8.2023      2.00000
     18      -8.0179      2.00000
     19      -7.7343      2.00000
     20      -7.6534      2.00000
     21      -7.6251      2.00000
     22      -7.4940      2.00000
     23      -7.2956      2.00000
     24      -7.2040      2.00000
     25      -7.1609      2.00000
     26      -7.0211      2.00000
     27      -6.9376      2.00000
     28      -6.8223      2.00000
     29      -6.6316      2.00000
     30      -6.5398      2.00000
     31      -6.4999      2.00000
     32      -6.4610      2.00000
     33      -6.4493      2.00000
     34      -6.3931      2.00000
     35      -6.2902      2.00000
     36      -6.1005      2.00000
     37      -5.9425      2.00000
     38      -5.8953      2.00000
     39      -5.7818      2.00000
     40      -5.7449      2.00000
     41      -5.6899      2.00000
     42      -5.6444      2.00000
     43      -5.4361      2.00000
     44      -5.2314      2.00000
     45      -4.8037      2.00000
     46      -4.7164      2.00000
     47      -4.6621      2.00000
     48      -4.5088      2.00000
     49      -4.3869      2.00000
     50      -4.2255      2.00000
     51      -4.2122      2.00000
     52      -3.8631      2.00000
     53      -3.7393      2.00000
     54      -3.6573      2.00000
     55      -3.4628      2.00000
     56      -3.1981      2.00000
     57      -3.1303      2.00000
     58      -2.8308      2.00000
     59      -2.6194      2.00000
     60      -2.4466      2.00000
     61      -2.2669      2.00000
     62      -1.9449      2.00004
     63      -1.5130      2.06461
     64      -1.1462      0.05357
     65      -0.9422     -0.03198
     66      -0.6269     -0.00003
     67      -0.3357     -0.00000
     68      -0.1777     -0.00000
     69      -0.0947     -0.00000
     70       0.2723     -0.00000
     71       0.3987     -0.00000
     72       0.5193     -0.00000
     73       0.8970     -0.00000
     74       1.0463     -0.00000
     75       1.1884     -0.00000
     76       1.2606     -0.00000
     77       1.3906     -0.00000
     78       1.5432     -0.00000

 k-point    50 :       0.3656    0.1828    0.0000
  band No.  band energies     occupation 
      1     -13.3459      2.00000
      2     -12.3586      2.00000
      3     -12.0274      2.00000
      4     -11.8042      2.00000
      5     -11.2507      2.00000
      6     -10.9664      2.00000
      7     -10.9318      2.00000
      8     -10.2360      2.00000
      9     -10.1414      2.00000
     10     -10.0228      2.00000
     11      -9.5312      2.00000
     12      -9.3470      2.00000
     13      -8.8569      2.00000
     14      -8.6180      2.00000
     15      -8.3737      2.00000
     16      -8.3025      2.00000
     17      -8.1669      2.00000
     18      -7.9868      2.00000
     19      -7.7167      2.00000
     20      -7.6341      2.00000
     21      -7.6085      2.00000
     22      -7.4732      2.00000
     23      -7.2937      2.00000
     24      -7.2008      2.00000
     25      -7.1469      2.00000
     26      -7.0095      2.00000
     27      -6.9262      2.00000
     28      -6.8082      2.00000
     29      -6.6336      2.00000
     30      -6.5354      2.00000
     31      -6.5021      2.00000
     32      -6.4488      2.00000
     33      -6.4337      2.00000
     34      -6.3840      2.00000
     35      -6.2971      2.00000
     36      -6.1024      2.00000
     37      -5.9386      2.00000
     38      -5.8904      2.00000
     39      -5.7785      2.00000
     40      -5.7428      2.00000
     41      -5.7009      2.00000
     42      -5.6287      2.00000
     43      -5.4080      2.00000
     44      -5.2302      2.00000
     45      -4.8562      2.00000
     46      -4.7109      2.00000
     47      -4.6589      2.00000
     48      -4.5008      2.00000
     49      -4.4047      2.00000
     50      -4.2503      2.00000
     51      -4.2021      2.00000
     52      -3.9168      2.00000
     53      -3.7565      2.00000
     54      -3.6658      2.00000
     55      -3.4994      2.00000
     56      -3.2685      2.00000
     57      -3.1740      2.00000
     58      -2.8752      2.00000
     59      -2.6695      2.00000
     60      -2.4846      2.00000
     61      -2.3151      2.00000
     62      -1.9716      2.00002
     63      -1.6085      2.04882
     64      -1.1672      0.12965
     65      -0.9616     -0.04032
     66      -0.6416     -0.00004
     67      -0.2855     -0.00000
     68      -0.1690     -0.00000
     69      -0.0515     -0.00000
     70       0.3223     -0.00000
     71       0.4516     -0.00000
     72       0.5870     -0.00000
     73       0.9467     -0.00000
     74       1.0658     -0.00000
     75       1.2070     -0.00000
     76       1.2705     -0.00000
     77       1.4255     -0.00000
     78       1.5992     -0.00000

 k-point    51 :       0.3871    0.1935    0.0000
  band No.  band energies     occupation 
      1     -13.3134      2.00000
      2     -12.3324      2.00000
      3     -12.0710      2.00000
      4     -11.8432      2.00000
      5     -11.2724      2.00000
      6     -11.0128      2.00000
      7     -10.9248      2.00000
      8     -10.2225      2.00000
      9     -10.1261      2.00000
     10      -9.9972      2.00000
     11      -9.5567      2.00000
     12      -9.3551      2.00000
     13      -8.8663      2.00000
     14      -8.6516      2.00000
     15      -8.3408      2.00000
     16      -8.2823      2.00000
     17      -8.1344      2.00000
     18      -7.9550      2.00000
     19      -7.6983      2.00000
     20      -7.6180      2.00000
     21      -7.5918      2.00000
     22      -7.4546      2.00000
     23      -7.2923      2.00000
     24      -7.1956      2.00000
     25      -7.1330      2.00000
     26      -6.9977      2.00000
     27      -6.9147      2.00000
     28      -6.7959      2.00000
     29      -6.6355      2.00000
     30      -6.5312      2.00000
     31      -6.5046      2.00000
     32      -6.4391      2.00000
     33      -6.4138      2.00000
     34      -6.3728      2.00000
     35      -6.3021      2.00000
     36      -6.1039      2.00000
     37      -5.9357      2.00000
     38      -5.8874      2.00000
     39      -5.7762      2.00000
     40      -5.7400      2.00000
     41      -5.7130      2.00000
     42      -5.6060      2.00000
     43      -5.3881      2.00000
     44      -5.2252      2.00000
     45      -4.9048      2.00000
     46      -4.7009      2.00000
     47      -4.6571      2.00000
     48      -4.4938      2.00000
     49      -4.4295      2.00000
     50      -4.2641      2.00000
     51      -4.1949      2.00000
     52      -3.9797      2.00000
     53      -3.7704      2.00000
     54      -3.6969      2.00000
     55      -3.5001      2.00000
     56      -3.3374      2.00000
     57      -3.2124      2.00000
     58      -2.9196      2.00000
     59      -2.7229      2.00000
     60      -2.5321      2.00000
     61      -2.3587      2.00000
     62      -1.9937      2.00001
     63      -1.6920      2.01659
     64      -1.1925      0.25014
     65      -0.9869     -0.05195
     66      -0.6740     -0.00010
     67      -0.2469     -0.00000
     68      -0.1332     -0.00000
     69      -0.0069     -0.00000
     70       0.3682     -0.00000
     71       0.5132     -0.00000
     72       0.6581     -0.00000
     73       0.9954     -0.00000
     74       1.0865     -0.00000
     75       1.2173     -0.00000
     76       1.2872     -0.00000
     77       1.4602     -0.00000
     78       1.6521     -0.00000

 k-point    52 :       0.4086    0.2043    0.0000
  band No.  band energies     occupation 
      1     -13.2799      2.00000
      2     -12.3084      2.00000
      3     -12.1105      2.00000
      4     -11.8807      2.00000
      5     -11.3001      2.00000
      6     -11.0585      2.00000
      7     -10.9089      2.00000
      8     -10.2123      2.00000
      9     -10.1101      2.00000
     10      -9.9701      2.00000
     11      -9.5810      2.00000
     12      -9.3627      2.00000
     13      -8.8793      2.00000
     14      -8.6855      2.00000
     15      -8.3106      2.00000
     16      -8.2619      2.00000
     17      -8.1053      2.00000
     18      -7.9237      2.00000
     19      -7.6796      2.00000
     20      -7.6042      2.00000
     21      -7.5762      2.00000
     22      -7.4388      2.00000
     23      -7.2914      2.00000
     24      -7.1886      2.00000
     25      -7.1196      2.00000
     26      -6.9847      2.00000
     27      -6.9035      2.00000
     28      -6.7854      2.00000
     29      -6.6371      2.00000
     30      -6.5295      2.00000
     31      -6.5041      2.00000
     32      -6.4300      2.00000
     33      -6.3952      2.00000
     34      -6.3575      2.00000
     35      -6.3052      2.00000
     36      -6.1046      2.00000
     37      -5.9340      2.00000
     38      -5.8857      2.00000
     39      -5.7754      2.00000
     40      -5.7407      2.00000
     41      -5.7204      2.00000
     42      -5.5781      2.00000
     43      -5.3811      2.00000
     44      -5.2127      2.00000
     45      -4.9448      2.00000
     46      -4.6892      2.00000
     47      -4.6572      2.00000
     48      -4.4919      2.00000
     49      -4.4552      2.00000
     50      -4.2676      2.00000
     51      -4.1953      2.00000
     52      -4.0422      2.00000
     53      -3.7837      2.00000
     54      -3.7345      2.00000
     55      -3.4859      2.00000
     56      -3.4041      2.00000
     57      -3.2448      2.00000
     58      -2.9633      2.00000
     59      -2.7784      2.00000
     60      -2.5897      2.00000
     61      -2.3912      2.00000
     62      -2.0231      2.00000
     63      -1.7560      2.00522
     64      -1.2218      0.42906
     65      -1.0169     -0.06449
     66      -0.7170     -0.00035
     67      -0.2169     -0.00000
     68      -0.0847     -0.00000
     69       0.0424     -0.00000
     70       0.4152     -0.00000
     71       0.5794     -0.00000
     72       0.7291     -0.00000
     73       1.0413     -0.00000
     74       1.1120     -0.00000
     75       1.2187     -0.00000
     76       1.3113     -0.00000
     77       1.4966     -0.00000
     78       1.7015     -0.00000

 k-point    53 :       0.4301    0.2151    0.0000
  band No.  band energies     occupation 
      1     -13.2456      2.00000
      2     -12.2903      2.00000
      3     -12.1426      2.00000
      4     -11.9156      2.00000
      5     -11.3315      2.00000
      6     -11.1033      2.00000
      7     -10.8864      2.00000
      8     -10.2067      2.00000
      9     -10.0925      2.00000
     10      -9.9416      2.00000
     11      -9.6037      2.00000
     12      -9.3698      2.00000
     13      -8.8963      2.00000
     14      -8.7183      2.00000
     15      -8.2854      2.00000
     16      -8.2394      2.00000
     17      -8.0794      2.00000
     18      -7.8936      2.00000
     19      -7.6609      2.00000
     20      -7.5920      2.00000
     21      -7.5625      2.00000
     22      -7.4262      2.00000
     23      -7.2911      2.00000
     24      -7.1805      2.00000
     25      -7.1069      2.00000
     26      -6.9698      2.00000
     27      -6.8931      2.00000
     28      -6.7767      2.00000
     29      -6.6385      2.00000
     30      -6.5322      2.00000
     31      -6.4982      2.00000
     32      -6.4207      2.00000
     33      -6.3812      2.00000
     34      -6.3378      2.00000
     35      -6.3060      2.00000
     36      -6.1039      2.00000
     37      -5.9339      2.00000
     38      -5.8848      2.00000
     39      -5.7774      2.00000
     40      -5.7473      2.00000
     41      -5.7187      2.00000
     42      -5.5467      2.00000
     43      -5.3879      2.00000
     44      -5.1915      2.00000
     45      -4.9746      2.00000
     46      -4.6770      2.00000
     47      -4.6599      2.00000
     48      -4.5095      2.00000
     49      -4.4632      2.00000
     50      -4.2640      2.00000
     51      -4.2124      2.00000
     52      -4.0913      2.00000
     53      -3.8019      2.00000
     54      -3.7620      2.00000
     55      -3.4777      2.00000
     56      -3.4645      2.00000
     57      -3.2703      2.00000
     58      -3.0050      2.00000
     59      -2.8352      2.00000
     60      -2.6527      2.00000
     61      -2.4131      2.00000
     62      -2.0675      2.00000
     63      -1.7949      2.00229
     64      -1.2548      0.67278
     65      -1.0501     -0.07091
     66      -0.7650     -0.00117
     67      -0.1901     -0.00000
     68      -0.0410     -0.00000
     69       0.1018     -0.00000
     70       0.4664     -0.00000
     71       0.6464     -0.00000
     72       0.7978     -0.00000
     73       1.0813     -0.00000
     74       1.1434     -0.00000
     75       1.2184     -0.00000
     76       1.3379     -0.00000
     77       1.5349     -0.00000
     78       1.7432     -0.00000

 k-point    54 :       0.4516    0.2258    0.0000
  band No.  band energies     occupation 
      1     -13.2109      2.00000
      2     -12.2850      2.00000
      3     -12.1620      2.00000
      4     -11.9465      2.00000
      5     -11.3646      2.00000
      6     -11.1470      2.00000
      7     -10.8590      2.00000
      8     -10.2063      2.00000
      9     -10.0732      2.00000
     10      -9.9119      2.00000
     11      -9.6246      2.00000
     12      -9.3763      2.00000
     13      -8.9170      2.00000
     14      -8.7491      2.00000
     15      -8.2660      2.00000
     16      -8.2143      2.00000
     17      -8.0567      2.00000
     18      -7.8651      2.00000
     19      -7.6429      2.00000
     20      -7.5808      2.00000
     21      -7.5512      2.00000
     22      -7.4167      2.00000
     23      -7.2912      2.00000
     24      -7.1723      2.00000
     25      -7.0952      2.00000
     26      -6.9524      2.00000
     27      -6.8837      2.00000
     28      -6.7697      2.00000
     29      -6.6397      2.00000
     30      -6.5377      2.00000
     31      -6.4882      2.00000
     32      -6.4110      2.00000
     33      -6.3707      2.00000
     34      -6.3204      2.00000
     35      -6.3011      2.00000
     36      -6.1015      2.00000
     37      -5.9353      2.00000
     38      -5.8841      2.00000
     39      -5.7841      2.00000
     40      -5.7522      2.00000
     41      -5.7135      2.00000
     42      -5.5165      2.00000
     43      -5.4016      2.00000
     44      -5.1643      2.00000
     45      -4.9941      2.00000
     46      -4.6667      2.00000
     47      -4.6651      2.00000
     48      -4.5390      2.00000
     49      -4.4574      2.00000
     50      -4.2634      2.00000
     51      -4.2454      2.00000
     52      -4.1158      2.00000
     53      -3.8267      2.00000
     54      -3.7756      2.00000
     55      -3.5305      2.00000
     56      -3.4711      2.00000
     57      -3.2888      2.00000
     58      -3.0429      2.00000
     59      -2.8921      2.00000
     60      -2.7156      2.00000
     61      -2.4278      2.00000
     62      -2.1235      2.00000
     63      -1.8122      2.00154
     64      -1.2905      0.96833
     65      -1.0848     -0.05873
     66      -0.8149     -0.00362
     67      -0.1648     -0.00000
     68      -0.0089     -0.00000
     69       0.1725     -0.00000
     70       0.5223     -0.00000
     71       0.7115     -0.00000
     72       0.8622     -0.00000
     73       1.1158     -0.00000
     74       1.1691     -0.00000
     75       1.2318     -0.00000
     76       1.3639     -0.00000
     77       1.5726     -0.00000
     78       1.7722     -0.00000

 k-point    55 :       0.4731    0.2366    0.0000
  band No.  band energies     occupation 
      1     -13.1761      2.00000
      2     -12.2964      2.00000
      3     -12.1669      2.00000
      4     -11.9703      2.00000
      5     -11.3982      2.00000
      6     -11.1894      2.00000
      7     -10.8279      2.00000
      8     -10.2112      2.00000
      9     -10.0522      2.00000
     10      -9.8815      2.00000
     11      -9.6436      2.00000
     12      -9.3822      2.00000
     13      -8.9414      2.00000
     14      -8.7775      2.00000
     15      -8.2510      2.00000
     16      -8.1880      2.00000
     17      -8.0369      2.00000
     18      -7.8386      2.00000
     19      -7.6261      2.00000
     20      -7.5704      2.00000
     21      -7.5424      2.00000
     22      -7.4105      2.00000
     23      -7.2915      2.00000
     24      -7.1649      2.00000
     25      -7.0848      2.00000
     26      -6.9326      2.00000
     27      -6.8756      2.00000
     28      -6.7643      2.00000
     29      -6.6409      2.00000
     30      -6.5441      2.00000
     31      -6.4762      2.00000
     32      -6.4003      2.00000
     33      -6.3621      2.00000
     34      -6.3144      2.00000
     35      -6.2859      2.00000
     36      -6.0967      2.00000
     37      -5.9383      2.00000
     38      -5.8833      2.00000
     39      -5.7950      2.00000
     40      -5.7529      2.00000
     41      -5.7076      2.00000
     42      -5.5006      2.00000
     43      -5.4050      2.00000
     44      -5.1348      2.00000
     45      -5.0047      2.00000
     46      -4.6768      2.00000
     47      -4.6566      2.00000
     48      -4.5673      2.00000
     49      -4.4482      2.00000
     50      -4.3101      2.00000
     51      -4.2386      2.00000
     52      -4.1245      2.00000
     53      -3.8507      2.00000
     54      -3.7844      2.00000
     55      -3.5874      2.00000
     56      -3.4816      2.00000
     57      -3.3026      2.00000
     58      -3.0764      2.00000
     59      -2.9474      2.00000
     60      -2.7743      2.00000
     61      -2.4399      2.00000
     62      -2.1802      2.00000
     63      -1.8171      2.00137
     64      -1.3276      1.27798
     65      -1.1197     -0.01293
     66      -0.8649     -0.00966
     67      -0.1407     -0.00000
     68       0.0130     -0.00000
     69       0.2502     -0.00000
     70       0.5821     -0.00000
     71       0.7729     -0.00000
     72       0.9203     -0.00000
     73       1.1426     -0.00000
     74       1.1798     -0.00000
     75       1.2717     -0.00000
     76       1.3890     -0.00000
     77       1.6061     -0.00000
     78       1.7979     -0.00000

 k-point    56 :       0.4946    0.2473    0.0000
  band No.  band energies     occupation 
      1     -13.1417      2.00000
      2     -12.3181      2.00000
      3     -12.1677      2.00000
      4     -11.9829      2.00000
      5     -11.4311      2.00000
      6     -11.2306      2.00000
      7     -10.7942      2.00000
      8     -10.2212      2.00000
      9     -10.0302      2.00000
     10      -9.8510      2.00000
     11      -9.6601      2.00000
     12      -9.3877      2.00000
     13      -8.9686      2.00000
     14      -8.8036      2.00000
     15      -8.2388      2.00000
     16      -8.1622      2.00000
     17      -8.0198      2.00000
     18      -7.8141      2.00000
     19      -7.6112      2.00000
     20      -7.5605      2.00000
     21      -7.5361      2.00000
     22      -7.4071      2.00000
     23      -7.2919      2.00000
     24      -7.1589      2.00000
     25      -7.0757      2.00000
     26      -6.9110      2.00000
     27      -6.8687      2.00000
     28      -6.7601      2.00000
     29      -6.6423      2.00000
     30      -6.5504      2.00000
     31      -6.4634      2.00000
     32      -6.3886      2.00000
     33      -6.3543      2.00000
     34      -6.3127      2.00000
     35      -6.2700      2.00000
     36      -6.0899      2.00000
     37      -5.9419      2.00000
     38      -5.8825      2.00000
     39      -5.8072      2.00000
     40      -5.7510      2.00000
     41      -5.7018      2.00000
     42      -5.5123      2.00000
     43      -5.3819      2.00000
     44      -5.1053      2.00000
     45      -5.0082      2.00000
     46      -4.6910      2.00000
     47      -4.6550      2.00000
     48      -4.5891      2.00000
     49      -4.4375      2.00000
     50      -4.3590      2.00000
     51      -4.2229      2.00000
     52      -4.1274      2.00000
     53      -3.8700      2.00000
     54      -3.7950      2.00000
     55      -3.6400      2.00000
     56      -3.5005      2.00000
     57      -3.3146      2.00000
     58      -3.1078      2.00000
     59      -2.9985      2.00000
     60      -2.8259      2.00000
     61      -2.4558      2.00000
     62      -2.2252      2.00000
     63      -1.8169      2.00138
     64      -1.3640      1.55241
     65      -1.1537      0.07835
     66      -0.9140     -0.02170
     67      -0.1180     -0.00000
     68       0.0277     -0.00000
     69       0.3300     -0.00000
     70       0.6448     -0.00000
     71       0.8288     -0.00000
     72       0.9705     -0.00000
     73       1.1456     -0.00000
     74       1.2054     -0.00000
     75       1.3236     -0.00000
     76       1.4147     -0.00000
     77       1.6281     -0.00000
     78       1.8153     -0.00000

 k-point    57 :       0.5161    0.2581    0.0000
  band No.  band energies     occupation 
      1     -13.1083      2.00000
      2     -12.3422      2.00000
      3     -12.1752      2.00000
      4     -11.9807      2.00000
      5     -11.4623      2.00000
      6     -11.2704      2.00000
      7     -10.7584      2.00000
      8     -10.2357      2.00000
      9     -10.0078      2.00000
     10      -9.8212      2.00000
     11      -9.6737      2.00000
     12      -9.3927      2.00000
     13      -8.9975      2.00000
     14      -8.8273      2.00000
     15      -8.2284      2.00000
     16      -8.1383      2.00000
     17      -8.0050      2.00000
     18      -7.7918      2.00000
     19      -7.5984      2.00000
     20      -7.5509      2.00000
     21      -7.5321      2.00000
     22      -7.4063      2.00000
     23      -7.2921      2.00000
     24      -7.1544      2.00000
     25      -7.0679      2.00000
     26      -6.8884      2.00000
     27      -6.8629      2.00000
     28      -6.7570      2.00000
     29      -6.6441      2.00000
     30      -6.5557      2.00000
     31      -6.4510      2.00000
     32      -6.3756      2.00000
     33      -6.3467      2.00000
     34      -6.3115      2.00000
     35      -6.2586      2.00000
     36      -6.0826      2.00000
     37      -5.9447      2.00000
     38      -5.8819      2.00000
     39      -5.8192      2.00000
     40      -5.7480      2.00000
     41      -5.6967      2.00000
     42      -5.5385      2.00000
     43      -5.3439      2.00000
     44      -5.0775      2.00000
     45      -5.0066      2.00000
     46      -4.7092      2.00000
     47      -4.6664      2.00000
     48      -4.5972      2.00000
     49      -4.4260      2.00000
     50      -4.3978      2.00000
     51      -4.2049      2.00000
     52      -4.1279      2.00000
     53      -3.8841      2.00000
     54      -3.8109      2.00000
     55      -3.6878      2.00000
     56      -3.5242      2.00000
     57      -3.3252      2.00000
     58      -3.1414      2.00000
     59      -3.0430      2.00000
     60      -2.8682      2.00000
     61      -2.4832      2.00000
     62      -2.2483      2.00000
     63      -1.8163      2.00140
     64      -1.3973      1.75663
     65      -1.1865      0.21869
     66      -0.9615     -0.04031
     67      -0.0971     -0.00000
     68       0.0373     -0.00000
     69       0.4082     -0.00000
     70       0.7094     -0.00000
     71       0.8781     -0.00000
     72       1.0129     -0.00000
     73       1.1349     -0.00000
     74       1.2405     -0.00000
     75       1.3792     -0.00000
     76       1.4441     -0.00000
     77       1.6438     -0.00000
     78       1.8389     -0.00000

 k-point    58 :       0.5376    0.2688    0.0000
  band No.  band energies     occupation 
      1     -13.0769      2.00000
      2     -12.3643      2.00000
      3     -12.1920      2.00000
      4     -11.9654      2.00000
      5     -11.4910      2.00000
      6     -11.3086      2.00000
      7     -10.7213      2.00000
      8     -10.2542      2.00000
      9      -9.9859      2.00000
     10      -9.7940      2.00000
     11      -9.6831      2.00000
     12      -9.3975      2.00000
     13      -9.0271      2.00000
     14      -8.8488      2.00000
     15      -8.2194      2.00000
     16      -8.1169      2.00000
     17      -7.9923      2.00000
     18      -7.7716      2.00000
     19      -7.5879      2.00000
     20      -7.5415      2.00000
     21      -7.5303      2.00000
     22      -7.4076      2.00000
     23      -7.2921      2.00000
     24      -7.1514      2.00000
     25      -7.0615      2.00000
     26      -6.8664      2.00000
     27      -6.8580      2.00000
     28      -6.7547      2.00000
     29      -6.6465      2.00000
     30      -6.5598      2.00000
     31      -6.4399      2.00000
     32      -6.3624      2.00000
     33      -6.3383      2.00000
     34      -6.3104      2.00000
     35      -6.2520      2.00000
     36      -6.0779      2.00000
     37      -5.9446      2.00000
     38      -5.8814      2.00000
     39      -5.8303      2.00000
     40      -5.7443      2.00000
     41      -5.6925      2.00000
     42      -5.5671      2.00000
     43      -5.3023      2.00000
     44      -5.0526      2.00000
     45      -5.0018      2.00000
     46      -4.7368      2.00000
     47      -4.6806      2.00000
     48      -4.5931      2.00000
     49      -4.4281      2.00000
     50      -4.4120      2.00000
     51      -4.1860      2.00000
     52      -4.1260      2.00000
     53      -3.8932      2.00000
     54      -3.8323      2.00000
     55      -3.7309      2.00000
     56      -3.5502      2.00000
     57      -3.3331      2.00000
     58      -3.1785      2.00000
     59      -3.0816      2.00000
     60      -2.8997      2.00000
     61      -2.5233      2.00000
     62      -2.2477      2.00000
     63      -1.8180      2.00134
     64      -1.4251      1.88542
     65      -1.2177      0.40141
     66      -1.0067     -0.06062
     67      -0.0782     -0.00000
     68       0.0432     -0.00000
     69       0.4817     -0.00000
     70       0.7744     -0.00000
     71       0.9197     -0.00000
     72       1.0479     -0.00000
     73       1.1222     -0.00000
     74       1.2715     -0.00000
     75       1.4367     -0.00000
     76       1.4801     -0.00000
     77       1.6570     -0.00000
     78       1.8547     -0.00000

 k-point    59 :       0.5591    0.2796    0.0000
  band No.  band energies     occupation 
      1     -13.0483      2.00000
      2     -12.3819      2.00000
      3     -12.2152      2.00000
      4     -11.9422      2.00000
      5     -11.5160      2.00000
      6     -11.3453      2.00000
      7     -10.6834      2.00000
      8     -10.2761      2.00000
      9      -9.9652      2.00000
     10      -9.7726      2.00000
     11      -9.6856      2.00000
     12      -9.4024      2.00000
     13      -9.0560      2.00000
     14      -8.8682      2.00000
     15      -8.2117      2.00000
     16      -8.0984      2.00000
     17      -7.9814      2.00000
     18      -7.7539      2.00000
     19      -7.5793      2.00000
     20      -7.5327      2.00000
     21      -7.5300      2.00000
     22      -7.4108      2.00000
     23      -7.2921      2.00000
     24      -7.1496      2.00000
     25      -7.0564      2.00000
     26      -6.8547      2.00000
     27      -6.8453      2.00000
     28      -6.7531      2.00000
     29      -6.6493      2.00000
     30      -6.5623      2.00000
     31      -6.4303      2.00000
     32      -6.3517      2.00000
     33      -6.3268      2.00000
     34      -6.3091      2.00000
     35      -6.2493      2.00000
     36      -6.0789      2.00000
     37      -5.9401      2.00000
     38      -5.8813      2.00000
     39      -5.8401      2.00000
     40      -5.7403      2.00000
     41      -5.6896      2.00000
     42      -5.5935      2.00000
     43      -5.2615      2.00000
     44      -5.0319      2.00000
     45      -4.9956      2.00000
     46      -4.7749      2.00000
     47      -4.6836      2.00000
     48      -4.5840      2.00000
     49      -4.4477      2.00000
     50      -4.4008      2.00000
     51      -4.1681      2.00000
     52      -4.1215      2.00000
     53      -3.8994      2.00000
     54      -3.8558      2.00000
     55      -3.7697      2.00000
     56      -3.5780      2.00000
     57      -3.3376      2.00000
     58      -3.2145      2.00000
     59      -3.1179      2.00000
     60      -2.9202      2.00000
     61      -2.5697      2.00000
     62      -2.2304      2.00000
     63      -1.8233      2.00118
     64      -1.4454      1.95561
     65      -1.2468      0.61080
     66      -1.0487     -0.07091
     67      -0.0616     -0.00000
     68       0.0461     -0.00000
     69       0.5477     -0.00000
     70       0.8377     -0.00000
     71       0.9535     -0.00000
     72       1.0732     -0.00000
     73       1.1146     -0.00000
     74       1.2930     -0.00000
     75       1.4958     -0.00000
     76       1.5228     -0.00000
     77       1.6730     -0.00000
     78       1.8528     -0.00000

 k-point    60 :       0.5806    0.2903    0.0000
  band No.  band energies     occupation 
      1     -13.0236      2.00000
      2     -12.3934      2.00000
      3     -12.2416      2.00000
      4     -11.9161      2.00000
      5     -11.5358      2.00000
      6     -11.3801      2.00000
      7     -10.6454      2.00000
      8     -10.3005      2.00000
      9      -9.9468      2.00000
     10      -9.7606      2.00000
     11      -9.6783      2.00000
     12      -9.4074      2.00000
     13      -9.0828      2.00000
     14      -8.8851      2.00000
     15      -8.2051      2.00000
     16      -8.0833      2.00000
     17      -7.9720      2.00000
     18      -7.7388      2.00000
     19      -7.5724      2.00000
     20      -7.5327      2.00000
     21      -7.5231      2.00000
     22      -7.4152      2.00000
     23      -7.2920      2.00000
     24      -7.1488      2.00000
     25      -7.0525      2.00000
     26      -6.8513      2.00000
     27      -6.8277      2.00000
     28      -6.7518      2.00000
     29      -6.6522      2.00000
     30      -6.5634      2.00000
     31      -6.4224      2.00000
     32      -6.3450      2.00000
     33      -6.3121      2.00000
     34      -6.3074      2.00000
     35      -6.2491      2.00000
     36      -6.0863      2.00000
     37      -5.9312      2.00000
     38      -5.8814      2.00000
     39      -5.8489      2.00000
     40      -5.7363      2.00000
     41      -5.6880      2.00000
     42      -5.6158      2.00000
     43      -5.2238      2.00000
     44      -5.0167      2.00000
     45      -4.9890      2.00000
     46      -4.8157      2.00000
     47      -4.6763      2.00000
     48      -4.5729      2.00000
     49      -4.4632      2.00000
     50      -4.3897      2.00000
     51      -4.1529      2.00000
     52      -4.1141      2.00000
     53      -3.9087      2.00000
     54      -3.8721      2.00000
     55      -3.8034      2.00000
     56      -3.6081      2.00000
     57      -3.3399      2.00000
     58      -3.2433      2.00000
     59      -3.1537      2.00000
     60      -2.9313      2.00000
     61      -2.6161      2.00000
     62      -2.2048      2.00000
     63      -1.8318      2.00096
     64      -1.4577      1.98851
     65      -1.2735      0.82529
     66      -1.0866     -0.05737
     67      -0.0475     -0.00000
     68       0.0468     -0.00000
     69       0.6042     -0.00000
     70       0.8950     -0.00000
     71       0.9800     -0.00000
     72       1.0796     -0.00000
     73       1.1257     -0.00000
     74       1.3048     -0.00000
     75       1.5549     -0.00000
     76       1.5693     -0.00000
     77       1.6944     -0.00000
     78       1.8371     -0.00000

 k-point    61 :       0.6022    0.3011    0.0000
  band No.  band energies     occupation 
      1     -13.0038      2.00000
      2     -12.3975      2.00000
      3     -12.2689      2.00000
      4     -11.8915      2.00000
      5     -11.5487      2.00000
      6     -11.4129      2.00000
      7     -10.6086      2.00000
      8     -10.3264      2.00000
      9      -9.9317      2.00000
     10      -9.7569      2.00000
     11      -9.6632      2.00000
     12      -9.4125      2.00000
     13      -9.1063      2.00000
     14      -8.8992      2.00000
     15      -8.1998      2.00000
     16      -8.0717      2.00000
     17      -7.9643      2.00000
     18      -7.7268      2.00000
     19      -7.5665      2.00000
     20      -7.5358      2.00000
     21      -7.5151      2.00000
     22      -7.4202      2.00000
     23      -7.2919      2.00000
     24      -7.1487      2.00000
     25      -7.0497      2.00000
     26      -6.8487      2.00000
     27      -6.8138      2.00000
     28      -6.7509      2.00000
     29      -6.6548      2.00000
     30      -6.5634      2.00000
     31      -6.4161      2.00000
     32      -6.3412      2.00000
     33      -6.3063      2.00000
     34      -6.2957      2.00000
     35      -6.2499      2.00000
     36      -6.0984      2.00000
     37      -5.9201      2.00000
     38      -5.8817      2.00000
     39      -5.8569      2.00000
     40      -5.7327      2.00000
     41      -5.6874      2.00000
     42      -5.6330      2.00000
     43      -5.1907      2.00000
     44      -5.0078      2.00000
     45      -4.9832      2.00000
     46      -4.8519      2.00000
     47      -4.6626      2.00000
     48      -4.5611      2.00000
     49      -4.4760      2.00000
     50      -4.3797      2.00000
     51      -4.1412      2.00000
     52      -4.1055      2.00000
     53      -3.9255      2.00000
     54      -3.8745      2.00000
     55      -3.8299      2.00000
     56      -3.6400      2.00000
     57      -3.3418      2.00000
     58      -3.2612      2.00000
     59      -3.1878      2.00000
     60      -2.9351      2.00000
     61      -2.6582      2.00000
     62      -2.1780      2.00000
     63      -1.8416      2.00075
     64      -1.4626      1.99994
     65      -1.2969      1.02175
     66      -1.1190     -0.01411
     67      -0.0360     -0.00000
     68       0.0460     -0.00000
     69       0.6495     -0.00000
     70       0.9394     -0.00000
     71       0.9981     -0.00000
     72       1.0820     -0.00000
     73       1.1472     -0.00000
     74       1.3096     -0.00000
     75       1.6111     -0.00000
     76       1.6155     -0.00000
     77       1.7218     -0.00000
     78       1.8162     -0.00000

 k-point    62 :       0.6237    0.3118    0.0000
  band No.  band energies     occupation 
      1     -12.9896      2.00000
      2     -12.3937      2.00000
      3     -12.2959      2.00000
      4     -11.8718      2.00000
      5     -11.5527      2.00000
      6     -11.4431      2.00000
      7     -10.5749      2.00000
      8     -10.3519      2.00000
      9      -9.9208      2.00000
     10      -9.7565      2.00000
     11      -9.6467      2.00000
     12      -9.4175      2.00000
     13      -9.1249      2.00000
     14      -8.9098      2.00000
     15      -8.1958      2.00000
     16      -8.0637      2.00000
     17      -7.9582      2.00000
     18      -7.7182      2.00000
     19      -7.5611      2.00000
     20      -7.5400      2.00000
     21      -7.5082      2.00000
     22      -7.4252      2.00000
     23      -7.2919      2.00000
     24      -7.1489      2.00000
     25      -7.0479      2.00000
     26      -6.8466      2.00000
     27      -6.8043      2.00000
     28      -6.7502      2.00000
     29      -6.6567      2.00000
     30      -6.5629      2.00000
     31      -6.4114      2.00000
     32      -6.3390      2.00000
     33      -6.3045      2.00000
     34      -6.2830      2.00000
     35      -6.2497      2.00000
     36      -6.1120      2.00000
     37      -5.9091      2.00000
     38      -5.8821      2.00000
     39      -5.8643      2.00000
     40      -5.7301      2.00000
     41      -5.6862      2.00000
     42      -5.6457      2.00000
     43      -5.1640      2.00000
     44      -5.0041      2.00000
     45      -4.9811      2.00000
     46      -4.8780      2.00000
     47      -4.6477      2.00000
     48      -4.5498      2.00000
     49      -4.4869      2.00000
     50      -4.3710      2.00000
     51      -4.1331      2.00000
     52      -4.0974      2.00000
     53      -3.9423      2.00000
     54      -3.8705      2.00000
     55      -3.8476      2.00000
     56      -3.6704      2.00000
     57      -3.3437      2.00000
     58      -3.2691      2.00000
     59      -3.2176      2.00000
     60      -2.9339      2.00000
     61      -2.6926      2.00000
     62      -2.1558      2.00000
     63      -1.8499      2.00061
     64      -1.4624      1.99945
     65      -1.3155      1.17847
     66      -1.1448      0.04916
     67      -0.0275     -0.00000
     68       0.0443     -0.00000
     69       0.6824     -0.00000
     70       0.9674     -0.00000
     71       1.0037     -0.00000
     72       1.0963     -0.00000
     73       1.1677     -0.00000
     74       1.3105     -0.00000
     75       1.6561     -0.00000
     76       1.6620     -0.00000
     77       1.7521     -0.00000
     78       1.7922     -0.00000

 k-point    63 :       0.6452    0.3226    0.0000
  band No.  band energies     occupation 
      1     -12.9814      2.00000
      2     -12.3828      2.00000
      3     -12.3207      2.00000
      4     -11.8597      2.00000
      5     -11.5478      2.00000
      6     -11.4686      2.00000
      7     -10.5488      2.00000
      8     -10.3728      2.00000
      9      -9.9145      2.00000
     10      -9.7565      2.00000
     11      -9.6342      2.00000
     12      -9.4215      2.00000
     13      -9.1370      2.00000
     14      -8.9164      2.00000
     15      -8.1933      2.00000
     16      -8.0591      2.00000
     17      -7.9542      2.00000
     18      -7.7131      2.00000
     19      -7.5559      2.00000
     20      -7.5449      2.00000
     21      -7.5033      2.00000
     22      -7.4291      2.00000
     23      -7.2919      2.00000
     24      -7.1492      2.00000
     25      -7.0469      2.00000
     26      -6.8452      2.00000
     27      -6.7992      2.00000
     28      -6.7497      2.00000
     29      -6.6577      2.00000
     30      -6.5623      2.00000
     31      -6.4085      2.00000
     32      -6.3380      2.00000
     33      -6.3030      2.00000
     34      -6.2766      2.00000
     35      -6.2470      2.00000
     36      -6.1232      2.00000
     37      -5.8998      2.00000
     38      -5.8827      2.00000
     39      -5.8708      2.00000
     40      -5.7289      2.00000
     41      -5.6835      2.00000
     42      -5.6546      2.00000
     43      -5.1460      2.00000
     44      -5.0037      2.00000
     45      -4.9830      2.00000
     46      -4.8910      2.00000
     47      -4.6366      2.00000
     48      -4.5410      2.00000
     49      -4.4952      2.00000
     50      -4.3647      2.00000
     51      -4.1286      2.00000
     52      -4.0900      2.00000
     53      -3.9540      2.00000
     54      -3.8663      2.00000
     55      -3.8575      2.00000
     56      -3.6929      2.00000
     57      -3.3444      2.00000
     58      -3.2709      2.00000
     59      -3.2396      2.00000
     60      -2.9306      2.00000
     61      -2.7157      2.00000
     62      -2.1419      2.00000
     63      -1.8546      2.00054
     64      -1.4601      1.99423
     65      -1.3276      1.27775
     66      -1.1619      0.10807
     67      -0.0222     -0.00000
     68       0.0426     -0.00000
     69       0.7022     -0.00000
     70       0.9831     -0.00000
     71       1.0004     -0.00000
     72       1.1134     -0.00000
     73       1.1832     -0.00000
     74       1.3106     -0.00000
     75       1.6878     -0.00000
     76       1.7052     -0.00000
     77       1.7666     -0.00000
     78       1.7787     -0.00000

 k-point    64 :       0.6667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -12.9788      2.00000
      2     -12.3731      2.00000
      3     -12.3349      2.00000
      4     -11.8559      2.00000
      5     -11.5416      2.00000
      6     -11.4813      2.00000
      7     -10.5382      2.00000
      8     -10.3816      2.00000
      9      -9.9126      2.00000
     10      -9.7563      2.00000
     11      -9.6295      2.00000
     12      -9.4231      2.00000
     13      -9.1413      2.00000
     14      -8.9187      2.00000
     15      -8.1924      2.00000
     16      -8.0577      2.00000
     17      -7.9527      2.00000
     18      -7.7115      2.00000
     19      -7.5517      2.00000
     20      -7.5488      2.00000
     21      -7.5015      2.00000
     22      -7.4307      2.00000
     23      -7.2920      2.00000
     24      -7.1493      2.00000
     25      -7.0466      2.00000
     26      -6.8446      2.00000
     27      -6.7977      2.00000
     28      -6.7494      2.00000
     29      -6.6579      2.00000
     30      -6.5620      2.00000
     31      -6.4074      2.00000
     32      -6.3376      2.00000
     33      -6.3023      2.00000
     34      -6.2752      2.00000
     35      -6.2450      2.00000
     36      -6.1277      2.00000
     37      -5.8956      2.00000
     38      -5.8834      2.00000
     39      -5.8737      2.00000
     40      -5.7286      2.00000
     41      -5.6813      2.00000
     42      -5.6585      2.00000
     43      -5.1396      2.00000
     44      -5.0043      2.00000
     45      -4.9845      2.00000
     46      -4.8941      2.00000
     47      -4.6326      2.00000
     48      -4.5374      2.00000
     49      -4.4985      2.00000
     50      -4.3622      2.00000
     51      -4.1272      2.00000
     52      -4.0863      2.00000
     53      -3.9582      2.00000
     54      -3.8650      2.00000
     55      -3.8611      2.00000
     56      -3.7008      2.00000
     57      -3.3443      2.00000
     58      -3.2709      2.00000
     59      -3.2480      2.00000
     60      -2.9288      2.00000
     61      -2.7239      2.00000
     62      -2.1376      2.00000
     63      -1.8556      2.00053
     64      -1.4589      1.99133
     65      -1.3317      1.31058
     66      -1.1681      0.13322
     67      -0.0204     -0.00000
     68       0.0419     -0.00000
     69       0.7086     -0.00000
     70       0.9912     -0.00000
     71       0.9953     -0.00000
     72       1.1203     -0.00000
     73       1.1891     -0.00000
     74       1.3111     -0.00000
     75       1.7023     -0.00000
     76       1.7314     -0.00000
     77       1.7584     -0.00000
     78       1.7796     -0.00000

 k-point    65 :       0.6667    0.3333    0.0000
  band No.  band energies     occupation 
      1     -12.9788      2.00000
      2     -12.3731      2.00000
      3     -12.3349      2.00000
      4     -11.8559      2.00000
      5     -11.5416      2.00000
      6     -11.4813      2.00000
      7     -10.5382      2.00000
      8     -10.3816      2.00000
      9      -9.9126      2.00000
     10      -9.7563      2.00000
     11      -9.6295      2.00000
     12      -9.4231      2.00000
     13      -9.1413      2.00000
     14      -8.9187      2.00000
     15      -8.1924      2.00000
     16      -8.0577      2.00000
     17      -7.9527      2.00000
     18      -7.7115      2.00000
     19      -7.5517      2.00000
     20      -7.5488      2.00000
     21      -7.5015      2.00000
     22      -7.4307      2.00000
     23      -7.2920      2.00000
     24      -7.1493      2.00000
     25      -7.0466      2.00000
     26      -6.8446      2.00000
     27      -6.7977      2.00000
     28      -6.7494      2.00000
     29      -6.6579      2.00000
     30      -6.5620      2.00000
     31      -6.4074      2.00000
     32      -6.3376      2.00000
     33      -6.3023      2.00000
     34      -6.2752      2.00000
     35      -6.2450      2.00000
     36      -6.1277      2.00000
     37      -5.8956      2.00000
     38      -5.8834      2.00000
     39      -5.8737      2.00000
     40      -5.7286      2.00000
     41      -5.6813      2.00000
     42      -5.6585      2.00000
     43      -5.1396      2.00000
     44      -5.0043      2.00000
     45      -4.9845      2.00000
     46      -4.8941      2.00000
     47      -4.6326      2.00000
     48      -4.5374      2.00000
     49      -4.4985      2.00000
     50      -4.3622      2.00000
     51      -4.1272      2.00000
     52      -4.0863      2.00000
     53      -3.9582      2.00000
     54      -3.8650      2.00000
     55      -3.8611      2.00000
     56      -3.7008      2.00000
     57      -3.3443      2.00000
     58      -3.2709      2.00000
     59      -3.2480      2.00000
     60      -2.9288      2.00000
     61      -2.7239      2.00000
     62      -2.1376      2.00000
     63      -1.8556      2.00053
     64      -1.4589      1.99133
     65      -1.3317      1.31058
     66      -1.1681      0.13322
     67      -0.0204     -0.00000
     68       0.0419     -0.00000
     69       0.7086     -0.00000
     70       0.9912     -0.00000
     71       0.9953     -0.00000
     72       1.1203     -0.00000
     73       1.1891     -0.00000
     74       1.3111     -0.00000
     75       1.7023     -0.00000
     76       1.7314     -0.00000
     77       1.7584     -0.00000
     78       1.7796     -0.00000

 k-point    66 :       0.6613    0.3387    0.0000
  band No.  band energies     occupation 
      1     -12.9794      2.00000
      2     -12.3766      2.00000
      3     -12.3303      2.00000
      4     -11.8568      2.00000
      5     -11.5440      2.00000
      6     -11.4774      2.00000
      7     -10.5411      2.00000
      8     -10.3791      2.00000
      9      -9.9130      2.00000
     10      -9.7566      2.00000
     11      -9.6306      2.00000
     12      -9.4227      2.00000
     13      -9.1402      2.00000
     14      -8.9182      2.00000
     15      -8.1926      2.00000
     16      -8.0580      2.00000
     17      -7.9531      2.00000
     18      -7.7119      2.00000
     19      -7.5535      2.00000
     20      -7.5471      2.00000
     21      -7.5019      2.00000
     22      -7.4304      2.00000
     23      -7.2919      2.00000
     24      -7.1492      2.00000
     25      -7.0467      2.00000
     26      -6.8448      2.00000
     27      -6.7980      2.00000
     28      -6.7495      2.00000
     29      -6.6579      2.00000
     30      -6.5621      2.00000
     31      -6.4077      2.00000
     32      -6.3377      2.00000
     33      -6.3024      2.00000
     34      -6.2754      2.00000
     35      -6.2456      2.00000
     36      -6.1265      2.00000
     37      -5.8967      2.00000
     38      -5.8832      2.00000
     39      -5.8729      2.00000
     40      -5.7287      2.00000
     41      -5.6822      2.00000
     42      -5.6573      2.00000
     43      -5.1411      2.00000
     44      -5.0041      2.00000
     45      -4.9840      2.00000
     46      -4.8936      2.00000
     47      -4.6335      2.00000
     48      -4.5382      2.00000
     49      -4.4978      2.00000
     50      -4.3627      2.00000
     51      -4.1282      2.00000
     52      -4.0875      2.00000
     53      -3.9568      2.00000
     54      -3.8651      2.00000
     55      -3.8600      2.00000
     56      -3.6991      2.00000
     57      -3.3444      2.00000
     58      -3.2708      2.00000
     59      -3.2460      2.00000
     60      -2.9293      2.00000
     61      -2.7218      2.00000
     62      -2.1385      2.00000
     63      -1.8557      2.00053
     64      -1.4590      1.99166
     65      -1.3309      1.30410
     66      -1.1665      0.12644
     67      -0.0209     -0.00000
     68       0.0423     -0.00000
     69       0.7071     -0.00000
     70       0.9878     -0.00000
     71       0.9977     -0.00000
     72       1.1186     -0.00000
     73       1.1877     -0.00000
     74       1.3105     -0.00000
     75       1.6980     -0.00000
     76       1.7202     -0.00000
     77       1.7597     -0.00000
     78       1.7822     -0.00000

 k-point    67 :       0.6559    0.3441    0.0000
  band No.  band energies     occupation 
      1     -12.9811      2.00000
      2     -12.3852      2.00000
      3     -12.3186      2.00000
      4     -11.8592      2.00000
      5     -11.5506      2.00000
      6     -11.4663      2.00000
      7     -10.5493      2.00000
      8     -10.3724      2.00000
      9      -9.9139      2.00000
     10      -9.7575      2.00000
     11      -9.6341      2.00000
     12      -9.4213      2.00000
     13      -9.1369      2.00000
     14      -8.9165      2.00000
     15      -8.1933      2.00000
     16      -8.0590      2.00000
     17      -7.9543      2.00000
     18      -7.7129      2.00000
     19      -7.5562      2.00000
     20      -7.5446      2.00000
     21      -7.5034      2.00000
     22      -7.4291      2.00000
     23      -7.2918      2.00000
     24      -7.1490      2.00000
     25      -7.0469      2.00000
     26      -6.8454      2.00000
     27      -6.7987      2.00000
     28      -6.7497      2.00000
     29      -6.6578      2.00000
     30      -6.5624      2.00000
     31      -6.4085      2.00000
     32      -6.3380      2.00000
     33      -6.3030      2.00000
     34      -6.2761      2.00000
     35      -6.2472      2.00000
     36      -6.1230      2.00000
     37      -5.8996      2.00000
     38      -5.8828      2.00000
     39      -5.8708      2.00000
     40      -5.7287      2.00000
     41      -5.6847      2.00000
     42      -5.6539      2.00000
     43      -5.1452      2.00000
     44      -5.0034      2.00000
     45      -4.9826      2.00000
     46      -4.8925      2.00000
     47      -4.6363      2.00000
     48      -4.5405      2.00000
     49      -4.4960      2.00000
     50      -4.3644      2.00000
     51      -4.1311      2.00000
     52      -4.0910      2.00000
     53      -3.9529      2.00000
     54      -3.8661      2.00000
     55      -3.8556      2.00000
     56      -3.6941      2.00000
     57      -3.3447      2.00000
     58      -3.2697      2.00000
     59      -3.2401      2.00000
     60      -2.9307      2.00000
     61      -2.7158      2.00000
     62      -2.1408      2.00000
     63      -1.8560      2.00052
     64      -1.4597      1.99340
     65      -1.3285      1.28514
     66      -1.1613      0.10588
     67      -0.0224     -0.00000
     68       0.0432     -0.00000
     69       0.7028     -0.00000
     70       0.9817     -0.00000
     71       1.0010     -0.00000
     72       1.1134     -0.00000
     73       1.1836     -0.00000
     74       1.3086     -0.00000
     75       1.6794     -0.00000
     76       1.7016     -0.00000
     77       1.7629     -0.00000
     78       1.7956     -0.00000

 k-point    68 :       0.6505    0.3495    0.0000
  band No.  band energies     occupation 
      1     -12.9837      2.00000
      2     -12.3956      2.00000
      3     -12.3031      2.00000
      4     -11.8627      2.00000
      5     -11.5598      2.00000
      6     -11.4503      2.00000
      7     -10.5618      2.00000
      8     -10.3626      2.00000
      9      -9.9153      2.00000
     10      -9.7592      2.00000
     11      -9.6396      2.00000
     12      -9.4189      2.00000
     13      -9.1315      2.00000
     14      -8.9137      2.00000
     15      -8.1946      2.00000
     16      -8.0607      2.00000
     17      -7.9562      2.00000
     18      -7.7145      2.00000
     19      -7.5591      2.00000
     20      -7.5421      2.00000
     21      -7.5058      2.00000
     22      -7.4270      2.00000
     23      -7.2917      2.00000
     24      -7.1486      2.00000
     25      -7.0471      2.00000
     26      -6.8463      2.00000
     27      -6.7997      2.00000
     28      -6.7500      2.00000
     29      -6.6576      2.00000
     30      -6.5629      2.00000
     31      -6.4098      2.00000
     32      -6.3384      2.00000
     33      -6.3041      2.00000
     34      -6.2776      2.00000
     35      -6.2489      2.00000
     36      -6.1176      2.00000
     37      -5.9035      2.00000
     38      -5.8822      2.00000
     39      -5.8679      2.00000
     40      -5.7286      2.00000
     41      -5.6883      2.00000
     42      -5.6489      2.00000
     43      -5.1514      2.00000
     44      -5.0025      2.00000
     45      -4.9801      2.00000
     46      -4.8910      2.00000
     47      -4.6405      2.00000
     48      -4.5438      2.00000
     49      -4.4934      2.00000
     50      -4.3671      2.00000
     51      -4.1375      2.00000
     52      -4.0958      2.00000
     53      -3.9466      2.00000
     54      -3.8686      2.00000
     55      -3.8467      2.00000
     56      -3.6868      2.00000
     57      -3.3450      2.00000
     58      -3.2673      2.00000
     59      -3.2311      2.00000
     60      -2.9328      2.00000
     61      -2.7062      2.00000
     62      -2.1440      2.00000
     63      -1.8568      2.00051
     64      -1.4609      1.99604
     65      -1.3250      1.25646
     66      -1.1524      0.07388
     67      -0.0247     -0.00000
     68       0.0446     -0.00000
     69       0.6961     -0.00000
     70       0.9733     -0.00000
     71       1.0038     -0.00000
     72       1.1048     -0.00000
     73       1.1773     -0.00000
     74       1.3047     -0.00000
     75       1.6438     -0.00000
     76       1.6895     -0.00000
     77       1.7659     -0.00000
     78       1.8114     -0.00000

 k-point    69 :       0.6452    0.3548    0.0000
  band No.  band energies     occupation 
      1     -12.9872      2.00000
      2     -12.4065      2.00000
      3     -12.2853      2.00000
      4     -11.8671      2.00000
      5     -11.5699      2.00000
      6     -11.4309      2.00000
      7     -10.5775      2.00000
      8     -10.3507      2.00000
      9      -9.9170      2.00000
     10      -9.7621      2.00000
     11      -9.6468      2.00000
     12      -9.4157      2.00000
     13      -9.1240      2.00000
     14      -8.9097      2.00000
     15      -8.1963      2.00000
     16      -8.0630      2.00000
     17      -7.9590      2.00000
     18      -7.7165      2.00000
     19      -7.5621      2.00000
     20      -7.5397      2.00000
     21      -7.5090      2.00000
     22      -7.4242      2.00000
     23      -7.2914      2.00000
     24      -7.1481      2.00000
     25      -7.0475      2.00000
     26      -6.8478      2.00000
     27      -6.8007      2.00000
     28      -6.7505      2.00000
     29      -6.6575      2.00000
     30      -6.5636      2.00000
     31      -6.4116      2.00000
     32      -6.3390      2.00000
     33      -6.3055      2.00000
     34      -6.2804      2.00000
     35      -6.2498      2.00000
     36      -6.1105      2.00000
     37      -5.9078      2.00000
     38      -5.8817      2.00000
     39      -5.8646      2.00000
     40      -5.7286      2.00000
     41      -5.6925      2.00000
     42      -5.6430      2.00000
     43      -5.1592      2.00000
     44      -5.0017      2.00000
     45      -4.9770      2.00000
     46      -4.8894      2.00000
     47      -4.6459      2.00000
     48      -4.5476      2.00000
     49      -4.4907      2.00000
     50      -4.3705      2.00000
     51      -4.1489      2.00000
     52      -4.1001      2.00000
     53      -3.9382      2.00000
     54      -3.8724      2.00000
     55      -3.8335      2.00000
     56      -3.6780      2.00000
     57      -3.3449      2.00000
     58      -3.2633      2.00000
     59      -3.2192      2.00000
     60      -2.9351      2.00000
     61      -2.6938      2.00000
     62      -2.1476      2.00000
     63      -1.8585      2.00049
     64      -1.4622      1.99908
     65      -1.3205      1.22010
     66      -1.1400      0.03523
     67      -0.0279     -0.00000
     68       0.0466     -0.00000
     69       0.6873     -0.00000
     70       0.9620     -0.00000
     71       1.0058     -0.00000
     72       1.0927     -0.00000
     73       1.1694     -0.00000
     74       1.2987     -0.00000
     75       1.6035     -0.00000
     76       1.6768     -0.00000
     77       1.7676     -0.00000
     78       1.8273     -0.00000

 k-point    70 :       0.6398    0.3602    0.0000
  band No.  band energies     occupation 
      1     -12.9914      2.00000
      2     -12.4174      2.00000
      3     -12.2659      2.00000
      4     -11.8722      2.00000
      5     -11.5803      2.00000
      6     -11.4092      2.00000
      7     -10.5955      2.00000
      8     -10.3378      2.00000
      9      -9.9188      2.00000
     10      -9.7668      2.00000
     11      -9.6550      2.00000
     12      -9.4116      2.00000
     13      -9.1147      2.00000
     14      -8.9046      2.00000
     15      -8.1987      2.00000
     16      -8.0659      2.00000
     17      -7.9625      2.00000
     18      -7.7190      2.00000
     19      -7.5652      2.00000
     20      -7.5376      2.00000
     21      -7.5129      2.00000
     22      -7.4207      2.00000
     23      -7.2910      2.00000
     24      -7.1474      2.00000
     25      -7.0480      2.00000
     26      -6.8497      2.00000
     27      -6.8018      2.00000
     28      -6.7511      2.00000
     29      -6.6572      2.00000
     30      -6.5644      2.00000
     31      -6.4139      2.00000
     32      -6.3400      2.00000
     33      -6.3072      2.00000
     34      -6.2847      2.00000
     35      -6.2493      2.00000
     36      -6.1023      2.00000
     37      -5.9124      2.00000
     38      -5.8811      2.00000
     39      -5.8610      2.00000
     40      -5.7286      2.00000
     41      -5.6969      2.00000
     42      -5.6365      2.00000
     43      -5.1680      2.00000
     44      -5.0011      2.00000
     45      -4.9732      2.00000
     46      -4.8879      2.00000
     47      -4.6519      2.00000
     48      -4.5519      2.00000
     49      -4.4881      2.00000
     50      -4.3745      2.00000
     51      -4.1653      2.00000
     52      -4.1033      2.00000
     53      -3.9283      2.00000
     54      -3.8775      2.00000
     55      -3.8165      2.00000
     56      -3.6681      2.00000
     57      -3.3443      2.00000
     58      -3.2579      2.00000
     59      -3.2048      2.00000
     60      -2.9370      2.00000
     61      -2.6792      2.00000
     62      -2.1511      2.00000
     63      -1.8611      2.00046
     64      -1.4636      2.00214
     65      -1.3153      1.17688
     66      -1.1242     -0.00366
     67      -0.0319     -0.00000
     68       0.0490     -0.00000
     69       0.6767     -0.00000
     70       0.9468     -0.00000
     71       1.0062     -0.00000
     72       1.0772     -0.00000
     73       1.1606     -0.00000
     74       1.2904     -0.00000
     75       1.5636     -0.00000
     76       1.6612     -0.00000
     77       1.7666     -0.00000
     78       1.8392     -0.00000

 k-point    71 :       0.6344    0.3656    0.0000
  band No.  band energies     occupation 
      1     -12.9961      2.00000
      2     -12.4281      2.00000
      3     -12.2451      2.00000
      4     -11.8776      2.00000
      5     -11.5907      2.00000
      6     -11.3858      2.00000
      7     -10.6153      2.00000
      8     -10.3246      2.00000
      9      -9.9204      2.00000
     10      -9.7735      2.00000
     11      -9.6635      2.00000
     12      -9.4070      2.00000
     13      -9.1036      2.00000
     14      -8.8984      2.00000
     15      -8.2016      2.00000
     16      -8.0696      2.00000
     17      -7.9666      2.00000
     18      -7.7217      2.00000
     19      -7.5684      2.00000
     20      -7.5358      2.00000
     21      -7.5172      2.00000
     22      -7.4168      2.00000
     23      -7.2904      2.00000
     24      -7.1464      2.00000
     25      -7.0485      2.00000
     26      -6.8522      2.00000
     27      -6.8027      2.00000
     28      -6.7519      2.00000
     29      -6.6570      2.00000
     30      -6.5654      2.00000
     31      -6.4167      2.00000
     32      -6.3413      2.00000
     33      -6.3093      2.00000
     34      -6.2900      2.00000
     35      -6.2476      2.00000
     36      -6.0933      2.00000
     37      -5.9171      2.00000
     38      -5.8805      2.00000
     39      -5.8572      2.00000
     40      -5.7289      2.00000
     41      -5.7011      2.00000
     42      -5.6297      2.00000
     43      -5.1774      2.00000
     44      -5.0010      2.00000
     45      -4.9693      2.00000
     46      -4.8866      2.00000
     47      -4.6582      2.00000
     48      -4.5563      2.00000
     49      -4.4858      2.00000
     50      -4.3788      2.00000
     51      -4.1857      2.00000
     52      -4.1054      2.00000
     53      -3.9178      2.00000
     54      -3.8835      2.00000
     55      -3.7965      2.00000
     56      -3.6578      2.00000
     57      -3.3428      2.00000
     58      -3.2511      2.00000
     59      -3.1880      2.00000
     60      -2.9380      2.00000
     61      -2.6632      2.00000
     62      -2.1541      2.00000
     63      -1.8648      2.00042
     64      -1.4650      2.00501
     65      -1.3093      1.12629
     66      -1.1055     -0.03660
     67      -0.0366     -0.00000
     68       0.0519     -0.00000
     69       0.6648     -0.00000
     70       0.9270     -0.00000
     71       1.0041     -0.00000
     72       1.0586     -0.00000
     73       1.1519     -0.00000
     74       1.2800     -0.00000
     75       1.5267     -0.00000
     76       1.6420     -0.00000
     77       1.7659     -0.00000
     78       1.8509     -0.00000

 k-point    72 :       0.6290    0.3710    0.0000
  band No.  band energies     occupation 
      1     -13.0013      2.00000
      2     -12.4386      2.00000
      3     -12.2233      2.00000
      4     -11.8833      2.00000
      5     -11.6009      2.00000
      6     -11.3611      2.00000
      7     -10.6364      2.00000
      8     -10.3116      2.00000
      9      -9.9218      2.00000
     10      -9.7827      2.00000
     11      -9.6718      2.00000
     12      -9.4017      2.00000
     13      -9.0910      2.00000
     14      -8.8911      2.00000
     15      -8.2052      2.00000
     16      -8.0741      2.00000
     17      -7.9714      2.00000
     18      -7.7247      2.00000
     19      -7.5718      2.00000
     20      -7.5345      2.00000
     21      -7.5216      2.00000
     22      -7.4126      2.00000
     23      -7.2895      2.00000
     24      -7.1453      2.00000
     25      -7.0491      2.00000
     26      -6.8553      2.00000
     27      -6.8035      2.00000
     28      -6.7529      2.00000
     29      -6.6567      2.00000
     30      -6.5665      2.00000
     31      -6.4198      2.00000
     32      -6.3430      2.00000
     33      -6.3117      2.00000
     34      -6.2956      2.00000
     35      -6.2449      2.00000
     36      -6.0838      2.00000
     37      -5.9219      2.00000
     38      -5.8798      2.00000
     39      -5.8533      2.00000
     40      -5.7298      2.00000
     41      -5.7047      2.00000
     42      -5.6225      2.00000
     43      -5.1873      2.00000
     44      -5.0012      2.00000
     45      -4.9654      2.00000
     46      -4.8854      2.00000
     47      -4.6645      2.00000
     48      -4.5608      2.00000
     49      -4.4842      2.00000
     50      -4.3831      2.00000
     51      -4.2086      2.00000
     52      -4.1069      2.00000
     53      -3.9083      2.00000
     54      -3.8891      2.00000
     55      -3.7739      2.00000
     56      -3.6475      2.00000
     57      -3.3404      2.00000
     58      -3.2432      2.00000
     59      -3.1693      2.00000
     60      -2.9376      2.00000
     61      -2.6464      2.00000
     62      -2.1563      2.00000
     63      -1.8695      2.00037
     64      -1.4663      2.00766
     65      -1.3022      1.06673
     66      -1.0843     -0.05915
     67      -0.0421     -0.00000
     68       0.0554     -0.00000
     69       0.6516     -0.00000
     70       0.9019     -0.00000
     71       0.9983     -0.00000
     72       1.0368     -0.00000
     73       1.1446     -0.00000
     74       1.2680     -0.00000
     75       1.4942     -0.00000
     76       1.6182     -0.00000
     77       1.7623     -0.00000
     78       1.8504     -0.00000

 k-point    73 :       0.6237    0.3763    0.0000
  band No.  band energies     occupation 
      1     -13.0068      2.00000
      2     -12.4488      2.00000
      3     -12.2007      2.00000
      4     -11.8889      2.00000
      5     -11.6107      2.00000
      6     -11.3352      2.00000
      7     -10.6586      2.00000
      8     -10.2993      2.00000
      9      -9.9228      2.00000
     10      -9.7946      2.00000
     11      -9.6793      2.00000
     12      -9.3961      2.00000
     13      -9.0771      2.00000
     14      -8.8828      2.00000
     15      -8.2093      2.00000
     16      -8.0794      2.00000
     17      -7.9765      2.00000
     18      -7.7278      2.00000
     19      -7.5753      2.00000
     20      -7.5344      2.00000
     21      -7.5254      2.00000
     22      -7.4083      2.00000
     23      -7.2884      2.00000
     24      -7.1440      2.00000
     25      -7.0498      2.00000
     26      -6.8588      2.00000
     27      -6.8040      2.00000
     28      -6.7539      2.00000
     29      -6.6563      2.00000
     30      -6.5677      2.00000
     31      -6.4233      2.00000
     32      -6.3454      2.00000
     33      -6.3147      2.00000
     34      -6.3006      2.00000
     35      -6.2414      2.00000
     36      -6.0740      2.00000
     37      -5.9267      2.00000
     38      -5.8791      2.00000
     39      -5.8492      2.00000
     40      -5.7318      2.00000
     41      -5.7071      2.00000
     42      -5.6152      2.00000
     43      -5.1973      2.00000
     44      -5.0017      2.00000
     45      -4.9618      2.00000
     46      -4.8845      2.00000
     47      -4.6705      2.00000
     48      -4.5652      2.00000
     49      -4.4833      2.00000
     50      -4.3873      2.00000
     51      -4.2332      2.00000
     52      -4.1082      2.00000
     53      -3.9060      2.00000
     54      -3.8887      2.00000
     55      -3.7495      2.00000
     56      -3.6374      2.00000
     57      -3.3369      2.00000
     58      -3.2343      2.00000
     59      -3.1487      2.00000
     60      -2.9353      2.00000
     61      -2.6293      2.00000
     62      -2.1572      2.00000
     63      -1.8751      2.00032
     64      -1.4675      2.01024
     65      -1.2938      0.99621
     66      -1.0611     -0.06977
     67      -0.0482     -0.00000
     68       0.0592     -0.00000
     69       0.6376     -0.00000
     70       0.8709     -0.00000
     71       0.9882     -0.00000
     72       1.0120     -0.00000
     73       1.1396     -0.00000
     74       1.2547     -0.00000
     75       1.4670     -0.00000
     76       1.5894     -0.00000
     77       1.7570     -0.00000
     78       1.8361     -0.00000

 k-point    74 :       0.6183    0.3817    0.0000
  band No.  band energies     occupation 
      1     -13.0125      2.00000
      2     -12.4587      2.00000
      3     -12.1776      2.00000
      4     -11.8943      2.00000
      5     -11.6201      2.00000
      6     -11.3085      2.00000
      7     -10.6816      2.00000
      8     -10.2878      2.00000
      9      -9.9233      2.00000
     10      -9.8089      2.00000
     11      -9.6859      2.00000
     12      -9.3901      2.00000
     13      -9.0621      2.00000
     14      -8.8736      2.00000
     15      -8.2140      2.00000
     16      -8.0857      2.00000
     17      -7.9818      2.00000
     18      -7.7312      2.00000
     19      -7.5790      2.00000
     20      -7.5367      2.00000
     21      -7.5272      2.00000
     22      -7.4039      2.00000
     23      -7.2870      2.00000
     24      -7.1426      2.00000
     25      -7.0504      2.00000
     26      -6.8626      2.00000
     27      -6.8044      2.00000
     28      -6.7551      2.00000
     29      -6.6559      2.00000
     30      -6.5689      2.00000
     31      -6.4272      2.00000
     32      -6.3486      2.00000
     33      -6.3184      2.00000
     34      -6.3045      2.00000
     35      -6.2375      2.00000
     36      -6.0642      2.00000
     37      -5.9316      2.00000
     38      -5.8782      2.00000
     39      -5.8451      2.00000
     40      -5.7351      2.00000
     41      -5.7079      2.00000
     42      -5.6078      2.00000
     43      -5.2075      2.00000
     44      -5.0026      2.00000
     45      -4.9585      2.00000
     46      -4.8840      2.00000
     47      -4.6759      2.00000
     48      -4.5694      2.00000
     49      -4.4836      2.00000
     50      -4.3912      2.00000
     51      -4.2584      2.00000
     52      -4.1094      2.00000
     53      -3.9122      2.00000
     54      -3.8813      2.00000
     55      -3.7239      2.00000
     56      -3.6277      2.00000
     57      -3.3323      2.00000
     58      -3.2248      2.00000
     59      -3.1266      2.00000
     60      -2.9306      2.00000
     61      -2.6127      2.00000
     62      -2.1567      2.00000
     63      -1.8812      2.00027
     64      -1.4689      2.01292
     65      -1.2840      0.91283
     66      -1.0363     -0.06972
     67      -0.0551     -0.00000
     68       0.0634     -0.00000
     69       0.6230     -0.00000
     70       0.8339     -0.00000
     71       0.9737     -0.00000
     72       0.9843     -0.00000
     73       1.1372     -0.00000
     74       1.2409     -0.00000
     75       1.4444     -0.00000
     76       1.5562     -0.00000
     77       1.7503     -0.00000
     78       1.8110     -0.00000

 k-point    75 :       0.6129    0.3871    0.0000
  band No.  band energies     occupation 
      1     -13.0184      2.00000
      2     -12.4682      2.00000
      3     -12.1540      2.00000
      4     -11.8993      2.00000
      5     -11.6290      2.00000
      6     -11.2811      2.00000
      7     -10.7053      2.00000
      8     -10.2776      2.00000
      9      -9.9235      2.00000
     10      -9.8252      2.00000
     11      -9.6915      2.00000
     12      -9.3838      2.00000
     13      -9.0461      2.00000
     14      -8.8633      2.00000
     15      -8.2193      2.00000
     16      -8.0930      2.00000
     17      -7.9871      2.00000
     18      -7.7346      2.00000
     19      -7.5830      2.00000
     20      -7.5409      2.00000
     21      -7.5273      2.00000
     22      -7.3996      2.00000
     23      -7.2852      2.00000
     24      -7.1410      2.00000
     25      -7.0510      2.00000
     26      -6.8669      2.00000
     27      -6.8045      2.00000
     28      -6.7564      2.00000
     29      -6.6553      2.00000
     30      -6.5702      2.00000
     31      -6.4313      2.00000
     32      -6.3526      2.00000
     33      -6.3224      2.00000
     34      -6.3071      2.00000
     35      -6.2332      2.00000
     36      -6.0544      2.00000
     37      -5.9365      2.00000
     38      -5.8772      2.00000
     39      -5.8408      2.00000
     40      -5.7396      2.00000
     41      -5.7072      2.00000
     42      -5.6004      2.00000
     43      -5.2177      2.00000
     44      -5.0039      2.00000
     45      -4.9556      2.00000
     46      -4.8838      2.00000
     47      -4.6805      2.00000
     48      -4.5735      2.00000
     49      -4.4850      2.00000
     50      -4.3947      2.00000
     51      -4.2836      2.00000
     52      -4.1107      2.00000
     53      -3.9205      2.00000
     54      -3.8733      2.00000
     55      -3.6975      2.00000
     56      -3.6183      2.00000
     57      -3.3267      2.00000
     58      -3.2150      2.00000
     59      -3.1029      2.00000
     60      -2.9232      2.00000
     61      -2.5968      2.00000
     62      -2.1546      2.00000
     63      -1.8875      2.00023
     64      -1.4705      2.01594
     65      -1.2723      0.81538
     66      -1.0105     -0.06211
     67      -0.0628     -0.00000
     68       0.0679     -0.00000
     69       0.6077     -0.00000
     70       0.7913     -0.00000
     71       0.9537     -0.00000
     72       0.9557     -0.00000
     73       1.1372     -0.00000
     74       1.2270     -0.00000
     75       1.4249     -0.00000
     76       1.5205     -0.00000
     77       1.7425     -0.00000
     78       1.7823     -0.00000

 k-point    76 :       0.6075    0.3925    0.0000
  band No.  band energies     occupation 
      1     -13.0244      2.00000
      2     -12.4773      2.00000
      3     -12.1305      2.00000
      4     -11.9037      2.00000
      5     -11.6373      2.00000
      6     -11.2531      2.00000
      7     -10.7295      2.00000
      8     -10.2688      2.00000
      9      -9.9237      2.00000
     10      -9.8427      2.00000
     11      -9.6963      2.00000
     12      -9.3774      2.00000
     13      -9.0294      2.00000
     14      -8.8522      2.00000
     15      -8.2253      2.00000
     16      -8.1014      2.00000
     17      -7.9923      2.00000
     18      -7.7383      2.00000
     19      -7.5872      2.00000
     20      -7.5458      2.00000
     21      -7.5270      2.00000
     22      -7.3955      2.00000
     23      -7.2830      2.00000
     24      -7.1394      2.00000
     25      -7.0515      2.00000
     26      -6.8714      2.00000
     27      -6.8046      2.00000
     28      -6.7578      2.00000
     29      -6.6546      2.00000
     30      -6.5716      2.00000
     31      -6.4357      2.00000
     32      -6.3575      2.00000
     33      -6.3264      2.00000
     34      -6.3089      2.00000
     35      -6.2287      2.00000
     36      -6.0450      2.00000
     37      -5.9415      2.00000
     38      -5.8761      2.00000
     39      -5.8364      2.00000
     40      -5.7448      2.00000
     41      -5.7052      2.00000
     42      -5.5930      2.00000
     43      -5.2280      2.00000
     44      -5.0055      2.00000
     45      -4.9531      2.00000
     46      -4.8839      2.00000
     47      -4.6841      2.00000
     48      -4.5772      2.00000
     49      -4.4882      2.00000
     50      -4.3977      2.00000
     51      -4.3083      2.00000
     52      -4.1123      2.00000
     53      -3.9290      2.00000
     54      -3.8665      2.00000
     55      -3.6714      2.00000
     56      -3.6089      2.00000
     57      -3.3202      2.00000
     58      -3.2051      2.00000
     59      -3.0781      2.00000
     60      -2.9129      2.00000
     61      -2.5822      2.00000
     62      -2.1510      2.00000
     63      -1.8937      2.00019
     64      -1.4724      2.01949
     65      -1.2587      0.70411
     66      -0.9839     -0.05060
     67      -0.0712     -0.00000
     68       0.0726     -0.00000
     69       0.5921     -0.00000
     70       0.7439     -0.00000
     71       0.9209     -0.00000
     72       0.9344     -0.00000
     73       1.1384     -0.00000
     74       1.2140     -0.00000
     75       1.4041     -0.00000
     76       1.4869     -0.00000
     77       1.7337     -0.00000
     78       1.7552     -0.00000

 k-point    77 :       0.6022    0.3978    0.0000
  band No.  band energies     occupation 
      1     -13.0304      2.00000
      2     -12.4860      2.00000
      3     -12.1073      2.00000
      4     -11.9071      2.00000
      5     -11.6451      2.00000
      6     -11.2248      2.00000
      7     -10.7540      2.00000
      8     -10.2617      2.00000
      9      -9.9248      2.00000
     10      -9.8598      2.00000
     11      -9.7004      2.00000
     12      -9.3708      2.00000
     13      -9.0122      2.00000
     14      -8.8402      2.00000
     15      -8.2318      2.00000
     16      -8.1110      2.00000
     17      -7.9972      2.00000
     18      -7.7421      2.00000
     19      -7.5918      2.00000
     20      -7.5507      2.00000
     21      -7.5266      2.00000
     22      -7.3916      2.00000
     23      -7.2804      2.00000
     24      -7.1378      2.00000
     25      -7.0518      2.00000
     26      -6.8760      2.00000
     27      -6.8044      2.00000
     28      -6.7593      2.00000
     29      -6.6538      2.00000
     30      -6.5729      2.00000
     31      -6.4403      2.00000
     32      -6.3631      2.00000
     33      -6.3300      2.00000
     34      -6.3100      2.00000
     35      -6.2241      2.00000
     36      -6.0360      2.00000
     37      -5.9465      2.00000
     38      -5.8749      2.00000
     39      -5.8320      2.00000
     40      -5.7504      2.00000
     41      -5.7023      2.00000
     42      -5.5856      2.00000
     43      -5.2383      2.00000
     44      -5.0075      2.00000
     45      -4.9511      2.00000
     46      -4.8844      2.00000
     47      -4.6868      2.00000
     48      -4.5807      2.00000
     49      -4.4932      2.00000
     50      -4.4002      2.00000
     51      -4.3317      2.00000
     52      -4.1143      2.00000
     53      -3.9372      2.00000
     54      -3.8614      2.00000
     55      -3.6471      2.00000
     56      -3.5982      2.00000
     57      -3.3132      2.00000
     58      -3.1953      2.00000
     59      -3.0521      2.00000
     60      -2.8996      2.00000
     61      -2.5692      2.00000
     62      -2.1461      2.00000
     63      -1.8990      2.00016
     64      -1.4748      2.02363
     65      -1.2430      0.58112
     66      -0.9570     -0.03829
     67      -0.0804     -0.00000
     68       0.0773     -0.00000
     69       0.5761     -0.00000
     70       0.6925     -0.00000
     71       0.8857     -0.00000
     72       0.9117     -0.00000
     73       1.1387     -0.00000
     74       1.2032     -0.00000
     75       1.3754     -0.00000
     76       1.4626     -0.00000
     77       1.7220     -0.00000
     78       1.7336     -0.00000

 k-point    78 :       0.5968    0.4032    0.0000
  band No.  band energies     occupation 
      1     -13.0363      2.00000
      2     -12.4943      2.00000
      3     -12.0849      2.00000
      4     -11.9091      2.00000
      5     -11.6523      2.00000
      6     -11.1964      2.00000
      7     -10.7786      2.00000
      8     -10.2564      2.00000
      9      -9.9291      2.00000
     10      -9.8738      2.00000
     11      -9.7041      2.00000
     12      -9.3642      2.00000
     13      -8.9945      2.00000
     14      -8.8274      2.00000
     15      -8.2388      2.00000
     16      -8.1218      2.00000
     17      -8.0017      2.00000
     18      -7.7460      2.00000
     19      -7.5967      2.00000
     20      -7.5554      2.00000
     21      -7.5264      2.00000
     22      -7.3881      2.00000
     23      -7.2773      2.00000
     24      -7.1363      2.00000
     25      -7.0520      2.00000
     26      -6.8809      2.00000
     27      -6.8042      2.00000
     28      -6.7608      2.00000
     29      -6.6528      2.00000
     30      -6.5741      2.00000
     31      -6.4450      2.00000
     32      -6.3692      2.00000
     33      -6.3332      2.00000
     34      -6.3108      2.00000
     35      -6.2193      2.00000
     36      -6.0277      2.00000
     37      -5.9516      2.00000
     38      -5.8736      2.00000
     39      -5.8275      2.00000
     40      -5.7561      2.00000
     41      -5.6985      2.00000
     42      -5.5783      2.00000
     43      -5.2485      2.00000
     44      -5.0098      2.00000
     45      -4.9495      2.00000
     46      -4.8852      2.00000
     47      -4.6885      2.00000
     48      -4.5837      2.00000
     49      -4.5006      2.00000
     50      -4.4021      2.00000
     51      -4.3532      2.00000
     52      -4.1171      2.00000
     53      -3.9444      2.00000
     54      -3.8578      2.00000
     55      -3.6277      2.00000
     56      -3.5835      2.00000
     57      -3.3058      2.00000
     58      -3.1857      2.00000
     59      -3.0253      2.00000
     60      -2.8833      2.00000
     61      -2.5580      2.00000
     62      -2.1405      2.00000
     63      -1.9028      2.00015
     64      -1.4776      2.02835
     65      -1.2250      0.45095
     66      -0.9300     -0.02724
     67      -0.0904     -0.00000
     68       0.0819     -0.00000
     69       0.5596     -0.00000
     70       0.6383     -0.00000
     71       0.8488     -0.00000
     72       0.8880     -0.00000
     73       1.1358     -0.00000
     74       1.1967     -0.00000
     75       1.3368     -0.00000
     76       1.4503     -0.00000
     77       1.7038     -0.00000
     78       1.7206     -0.00000

 k-point    79 :       0.5914    0.4086    0.0000
  band No.  band energies     occupation 
      1     -13.0421      2.00000
      2     -12.5022      2.00000
      3     -12.0641      2.00000
      4     -11.9093      2.00000
      5     -11.6587      2.00000
      6     -11.1680      2.00000
      7     -10.8032      2.00000
      8     -10.2532      2.00000
      9      -9.9396      2.00000
     10      -9.8813      2.00000
     11      -9.7074      2.00000
     12      -9.3576      2.00000
     13      -8.9766      2.00000
     14      -8.8139      2.00000
     15      -8.2464      2.00000
     16      -8.1336      2.00000
     17      -8.0057      2.00000
     18      -7.7501      2.00000
     19      -7.6020      2.00000
     20      -7.5598      2.00000
     21      -7.5264      2.00000
     22      -7.3849      2.00000
     23      -7.2737      2.00000
     24      -7.1349      2.00000
     25      -7.0518      2.00000
     26      -6.8858      2.00000
     27      -6.8039      2.00000
     28      -6.7624      2.00000
     29      -6.6517      2.00000
     30      -6.5754      2.00000
     31      -6.4499      2.00000
     32      -6.3756      2.00000
     33      -6.3360      2.00000
     34      -6.3112      2.00000
     35      -6.2145      2.00000
     36      -6.0202      2.00000
     37      -5.9568      2.00000
     38      -5.8722      2.00000
     39      -5.8230      2.00000
     40      -5.7617      2.00000
     41      -5.6939      2.00000
     42      -5.5711      2.00000
     43      -5.2587      2.00000
     44      -5.0123      2.00000
     45      -4.9482      2.00000
     46      -4.8864      2.00000
     47      -4.6892      2.00000
     48      -4.5864      2.00000
     49      -4.5105      2.00000
     50      -4.4037      2.00000
     51      -4.3722      2.00000
     52      -4.1208      2.00000
     53      -3.9505      2.00000
     54      -3.8558      2.00000
     55      -3.6159      2.00000
     56      -3.5627      2.00000
     57      -3.2984      2.00000
     58      -3.1759      2.00000
     59      -2.9977      2.00000
     60      -2.8642      2.00000
     61      -2.5487      2.00000
     62      -2.1349      2.00000
     63      -1.9043      2.00014
     64      -1.4810      2.03353
     65      -1.2049      0.32059
     66      -0.9031     -0.01838
     67      -0.1012     -0.00000
     68       0.0861     -0.00000
     69       0.5427     -0.00000
     70       0.5823     -0.00000
     71       0.8107     -0.00000
     72       0.8641     -0.00000
     73       1.1275     -0.00000
     74       1.1956     -0.00000
     75       1.2930     -0.00000
     76       1.4463     -0.00000
     77       1.6848     -0.00000
     78       1.7114     -0.00000

 k-point    80 :       0.5860    0.4140    0.0000
  band No.  band energies     occupation 
      1     -13.0478      2.00000
      2     -12.5096      2.00000
      3     -12.0457      2.00000
      4     -11.9067      2.00000
      5     -11.6644      2.00000
      6     -11.1401      2.00000
      7     -10.8271      2.00000
      8     -10.2520      2.00000
      9      -9.9562      2.00000
     10      -9.8821      2.00000
     11      -9.7104      2.00000
     12      -9.3511      2.00000
     13      -8.9586      2.00000
     14      -8.7996      2.00000
     15      -8.2544      2.00000
     16      -8.1465      2.00000
     17      -8.0093      2.00000
     18      -7.7544      2.00000
     19      -7.6075      2.00000
     20      -7.5638      2.00000
     21      -7.5266      2.00000
     22      -7.3822      2.00000
     23      -7.2697      2.00000
     24      -7.1339      2.00000
     25      -7.0512      2.00000
     26      -6.8908      2.00000
     27      -6.8035      2.00000
     28      -6.7640      2.00000
     29      -6.6504      2.00000
     30      -6.5765      2.00000
     31      -6.4548      2.00000
     32      -6.3821      2.00000
     33      -6.3385      2.00000
     34      -6.3114      2.00000
     35      -6.2096      2.00000
     36      -6.0135      2.00000
     37      -5.9620      2.00000
     38      -5.8708      2.00000
     39      -5.8186      2.00000
     40      -5.7670      2.00000
     41      -5.6885      2.00000
     42      -5.5640      2.00000
     43      -5.2690      2.00000
     44      -5.0150      2.00000
     45      -4.9472      2.00000
     46      -4.8878      2.00000
     47      -4.6891      2.00000
     48      -4.5886      2.00000
     49      -4.5231      2.00000
     50      -4.4049      2.00000
     51      -4.3883      2.00000
     52      -4.1256      2.00000
     53      -3.9552      2.00000
     54      -3.8549      2.00000
     55      -3.6099      2.00000
     56      -3.5378      2.00000
     57      -3.2913      2.00000
     58      -3.1658      2.00000
     59      -2.9697      2.00000
     60      -2.8428      2.00000
     61      -2.5413      2.00000
     62      -2.1302      2.00000
     63      -1.9025      2.00015
     64      -1.4848      2.03897
     65      -1.1825      0.19863
     66      -0.8765     -0.01187
     67      -0.1130     -0.00000
     68       0.0897     -0.00000
     69       0.5232     -0.00000
     70       0.5271     -0.00000
     71       0.7722     -0.00000
     72       0.8406     -0.00000
     73       1.1140     -0.00000
     74       1.1981     -0.00000
     75       1.2491     -0.00000
     76       1.4470     -0.00000
     77       1.6672     -0.00000
     78       1.7032     -0.00000

 k-point    81 :       0.5806    0.4194    0.0000
  band No.  band energies     occupation 
      1     -13.0533      2.00000
      2     -12.5167      2.00000
      3     -12.0307      2.00000
      4     -11.9008      2.00000
      5     -11.6691      2.00000
      6     -11.1135      2.00000
      7     -10.8499      2.00000
      8     -10.2532      2.00000
      9      -9.9760      2.00000
     10      -9.8788      2.00000
     11      -9.7132      2.00000
     12      -9.3447      2.00000
     13      -8.9406      2.00000
     14      -8.7847      2.00000
     15      -8.2630      2.00000
     16      -8.1602      2.00000
     17      -8.0124      2.00000
     18      -7.7589      2.00000
     19      -7.6132      2.00000
     20      -7.5674      2.00000
     21      -7.5269      2.00000
     22      -7.3798      2.00000
     23      -7.2652      2.00000
     24      -7.1332      2.00000
     25      -7.0501      2.00000
     26      -6.8958      2.00000
     27      -6.8031      2.00000
     28      -6.7657      2.00000
     29      -6.6489      2.00000
     30      -6.5775      2.00000
     31      -6.4597      2.00000
     32      -6.3884      2.00000
     33      -6.3407      2.00000
     34      -6.3115      2.00000
     35      -6.2047      2.00000
     36      -6.0080      2.00000
     37      -5.9671      2.00000
     38      -5.8694      2.00000
     39      -5.8141      2.00000
     40      -5.7719      2.00000
     41      -5.6823      2.00000
     42      -5.5570      2.00000
     43      -5.2792      2.00000
     44      -5.0180      2.00000
     45      -4.9464      2.00000
     46      -4.8894      2.00000
     47      -4.6882      2.00000
     48      -4.5904      2.00000
     49      -4.5381      2.00000
     50      -4.4059      2.00000
     51      -4.4014      2.00000
     52      -4.1316      2.00000
     53      -3.9583      2.00000
     54      -3.8550      2.00000
     55      -3.6074      2.00000
     56      -3.5114      2.00000
     57      -3.2849      2.00000
     58      -3.1552      2.00000
     59      -2.9415      2.00000
     60      -2.8193      2.00000
     61      -2.5357      2.00000
     62      -2.1276      2.00000
     63      -1.8968      2.00017
     64      -1.4891      2.04445
     65      -1.1581      0.09401
     66      -0.8504     -0.00739
     67      -0.1256     -0.00000
     68       0.0926     -0.00000
     69       0.4678     -0.00000
     70       0.5064     -0.00000
     71       0.7340     -0.00000
     72       0.8179     -0.00000
     73       1.0962     -0.00000
     74       1.1912     -0.00000
     75       1.2192     -0.00000
     76       1.4506     -0.00000
     77       1.6517     -0.00000
     78       1.6954     -0.00000

 k-point    82 :       0.5753    0.4247    0.0000
  band No.  band energies     occupation 
      1     -13.0585      2.00000
      2     -12.5233      2.00000
      3     -12.0196      2.00000
      4     -11.8910      2.00000
      5     -11.6726      2.00000
      6     -11.0891      2.00000
      7     -10.8702      2.00000
      8     -10.2569      2.00000
      9      -9.9968      2.00000
     10      -9.8731      2.00000
     11      -9.7158      2.00000
     12      -9.3384      2.00000
     13      -8.9228      2.00000
     14      -8.7691      2.00000
     15      -8.2721      2.00000
     16      -8.1745      2.00000
     17      -8.0150      2.00000
     18      -7.7636      2.00000
     19      -7.6191      2.00000
     20      -7.5706      2.00000
     21      -7.5273      2.00000
     22      -7.3778      2.00000
     23      -7.2604      2.00000
     24      -7.1330      2.00000
     25      -7.0485      2.00000
     26      -6.9009      2.00000
     27      -6.8026      2.00000
     28      -6.7673      2.00000
     29      -6.6473      2.00000
     30      -6.5784      2.00000
     31      -6.4646      2.00000
     32      -6.3946      2.00000
     33      -6.3427      2.00000
     34      -6.3114      2.00000
     35      -6.1999      2.00000
     36      -6.0038      2.00000
     37      -5.9720      2.00000
     38      -5.8681      2.00000
     39      -5.8099      2.00000
     40      -5.7762      2.00000
     41      -5.6751      2.00000
     42      -5.5503      2.00000
     43      -5.2895      2.00000
     44      -5.0209      2.00000
     45      -4.9459      2.00000
     46      -4.8913      2.00000
     47      -4.6868      2.00000
     48      -4.5917      2.00000
     49      -4.5548      2.00000
     50      -4.4122      2.00000
     51      -4.4064      2.00000
     52      -4.1389      2.00000
     53      -3.9598      2.00000
     54      -3.8556      2.00000
     55      -3.6074      2.00000
     56      -3.4850      2.00000
     57      -3.2794      2.00000
     58      -3.1437      2.00000
     59      -2.9132      2.00000
     60      -2.7943      2.00000
     61      -2.5317      2.00000
     62      -2.1275      2.00000
     63      -1.8867      2.00023
     64      -1.4938      2.04971
     65      -1.1318      0.01374
     66      -0.8248     -0.00446
     67      -0.1391     -0.00000
     68       0.0944     -0.00000
     69       0.4110     -0.00000
     70       0.4857     -0.00000
     71       0.6972     -0.00000
     72       0.7967     -0.00000
     73       1.0738     -0.00000
     74       1.1582     -0.00000
     75       1.2215     -0.00000
     76       1.4560     -0.00000
     77       1.6371     -0.00000
     78       1.6887     -0.00000

 k-point    83 :       0.5699    0.4301    0.0000
  band No.  band energies     occupation 
      1     -13.0635      2.00000
      2     -12.5294      2.00000
      3     -12.0124      2.00000
      4     -11.8777      2.00000
      5     -11.6749      2.00000
      6     -11.0692      2.00000
      7     -10.8859      2.00000
      8     -10.2632      2.00000
      9     -10.0175      2.00000
     10      -9.8662      2.00000
     11      -9.7183      2.00000
     12      -9.3324      2.00000
     13      -8.9053      2.00000
     14      -8.7531      2.00000
     15      -8.2817      2.00000
     16      -8.1892      2.00000
     17      -8.0173      2.00000
     18      -7.7684      2.00000
     19      -7.6249      2.00000
     20      -7.5735      2.00000
     21      -7.5278      2.00000
     22      -7.3761      2.00000
     23      -7.2552      2.00000
     24      -7.1334      2.00000
     25      -7.0462      2.00000
     26      -6.9060      2.00000
     27      -6.8020      2.00000
     28      -6.7690      2.00000
     29      -6.6457      2.00000
     30      -6.5792      2.00000
     31      -6.4694      2.00000
     32      -6.4006      2.00000
     33      -6.3445      2.00000
     34      -6.3112      2.00000
     35      -6.1951      2.00000
     36      -6.0014      2.00000
     37      -5.9761      2.00000
     38      -5.8669      2.00000
     39      -5.8057      2.00000
     40      -5.7799      2.00000
     41      -5.6672      2.00000
     42      -5.5437      2.00000
     43      -5.2998      2.00000
     44      -5.0239      2.00000
     45      -4.9456      2.00000
     46      -4.8933      2.00000
     47      -4.6851      2.00000
     48      -4.5925      2.00000
     49      -4.5726      2.00000
     50      -4.4204      2.00000
     51      -4.4071      2.00000
     52      -4.1471      2.00000
     53      -3.9601      2.00000
     54      -3.8563      2.00000
     55      -3.6093      2.00000
     56      -3.4591      2.00000
     57      -3.2749      2.00000
     58      -3.1312      2.00000
     59      -2.8852      2.00000
     60      -2.7682      2.00000
     61      -2.5292      2.00000
     62      -2.1302      2.00000
     63      -1.8723      2.00034
     64      -1.4987      2.05456
     65      -1.1038     -0.03887
     66      -0.7999     -0.00263
     67      -0.1535     -0.00000
     68       0.0949     -0.00000
     69       0.3551     -0.00000
     70       0.4626     -0.00000
     71       0.6627     -0.00000
     72       0.7772     -0.00000
     73       1.0459     -0.00000
     74       1.1261     -0.00000
     75       1.2305     -0.00000
     76       1.4626     -0.00000
     77       1.6239     -0.00000
     78       1.6829     -0.00000

 k-point    84 :       0.5645    0.4355    0.0000
  band No.  band energies     occupation 
      1     -13.0682      2.00000
      2     -12.5351      2.00000
      3     -12.0084      2.00000
      4     -11.8622      2.00000
      5     -11.6754      2.00000
      6     -11.0570      2.00000
      7     -10.8937      2.00000
      8     -10.2725      2.00000
      9     -10.0370      2.00000
     10      -9.8586      2.00000
     11      -9.7206      2.00000
     12      -9.3267      2.00000
     13      -8.8883      2.00000
     14      -8.7365      2.00000
     15      -8.2918      2.00000
     16      -8.2041      2.00000
     17      -8.0193      2.00000
     18      -7.7733      2.00000
     19      -7.6306      2.00000
     20      -7.5760      2.00000
     21      -7.5285      2.00000
     22      -7.3747      2.00000
     23      -7.2498      2.00000
     24      -7.1344      2.00000
     25      -7.0434      2.00000
     26      -6.9111      2.00000
     27      -6.8013      2.00000
     28      -6.7706      2.00000
     29      -6.6439      2.00000
     30      -6.5799      2.00000
     31      -6.4740      2.00000
     32      -6.4063      2.00000
     33      -6.3461      2.00000
     34      -6.3110      2.00000
     35      -6.1904      2.00000
     36      -6.0014      2.00000
     37      -5.9789      2.00000
     38      -5.8659      2.00000
     39      -5.8019      2.00000
     40      -5.7830      2.00000
     41      -5.6584      2.00000
     42      -5.5374      2.00000
     43      -5.3101      2.00000
     44      -5.0269      2.00000
     45      -4.9453      2.00000
     46      -4.8956      2.00000
     47      -4.6835      2.00000
     48      -4.5929      2.00000
     49      -4.5904      2.00000
     50      -4.4269      2.00000
     51      -4.4078      2.00000
     52      -4.1563      2.00000
     53      -3.9594      2.00000
     54      -3.8568      2.00000
     55      -3.6129      2.00000
     56      -3.4344      2.00000
     57      -3.2713      2.00000
     58      -3.1179      2.00000
     59      -2.8577      2.00000
     60      -2.7415      2.00000
     61      -2.5280      2.00000
     62      -2.1357      2.00000
     63      -1.8542      2.00055
     64      -1.5039      2.05881
     65      -1.0744     -0.06520
     66      -0.7757     -0.00152
     67      -0.1688     -0.00000
     68       0.0938     -0.00000
     69       0.3010     -0.00000
     70       0.4365     -0.00000
     71       0.6315     -0.00000
     72       0.7601     -0.00000
     73       1.0132     -0.00000
     74       1.1001     -0.00000
     75       1.2409     -0.00000
     76       1.4698     -0.00000
     77       1.6119     -0.00000
     78       1.6780     -0.00000

 k-point    85 :       0.5591    0.4409    0.0000
  band No.  band energies     occupation 
      1     -13.0726      2.00000
      2     -12.5404      2.00000
      3     -12.0067      2.00000
      4     -11.8458      2.00000
      5     -11.6739      2.00000
      6     -11.0557      2.00000
      7     -10.8905      2.00000
      8     -10.2848      2.00000
      9     -10.0549      2.00000
     10      -9.8506      2.00000
     11      -9.7228      2.00000
     12      -9.3212      2.00000
     13      -8.8718      2.00000
     14      -8.7196      2.00000
     15      -8.3025      2.00000
     16      -8.2188      2.00000
     17      -8.0210      2.00000
     18      -7.7784      2.00000
     19      -7.6362      2.00000
     20      -7.5783      2.00000
     21      -7.5291      2.00000
     22      -7.3736      2.00000
     23      -7.2441      2.00000
     24      -7.1359      2.00000
     25      -7.0399      2.00000
     26      -6.9163      2.00000
     27      -6.8006      2.00000
     28      -6.7723      2.00000
     29      -6.6421      2.00000
     30      -6.5804      2.00000
     31      -6.4784      2.00000
     32      -6.4117      2.00000
     33      -6.3476      2.00000
     34      -6.3106      2.00000
     35      -6.1858      2.00000
     36      -6.0039      2.00000
     37      -5.9800      2.00000
     38      -5.8652      2.00000
     39      -5.7982      2.00000
     40      -5.7855      2.00000
     41      -5.6489      2.00000
     42      -5.5313      2.00000
     43      -5.3204      2.00000
     44      -5.0297      2.00000
     45      -4.9452      2.00000
     46      -4.8980      2.00000
     47      -4.6826      2.00000
     48      -4.6073      2.00000
     49      -4.5929      2.00000
     50      -4.4320      2.00000
     51      -4.4084      2.00000
     52      -4.1661      2.00000
     53      -3.9581      2.00000
     54      -3.8565      2.00000
     55      -3.6181      2.00000
     56      -3.4111      2.00000
     57      -3.2687      2.00000
     58      -3.1037      2.00000
     59      -2.8309      2.00000
     60      -2.7145      2.00000
     61      -2.5278      2.00000
     62      -2.1433      2.00000
     63      -1.8332      2.00093
     64      -1.5091      2.06238
     65      -1.0439     -0.07070
     66      -0.7522     -0.00086
     67      -0.1850     -0.00000
     68       0.0910     -0.00000
     69       0.2492     -0.00000
     70       0.4070     -0.00000
     71       0.6040     -0.00000
     72       0.7454     -0.00000
     73       0.9786     -0.00000
     74       1.0788     -0.00000
     75       1.2519     -0.00000
     76       1.4772     -0.00000
     77       1.6011     -0.00000
     78       1.6743     -0.00000

 k-point    86 :       0.5538    0.4462    0.0000
  band No.  band energies     occupation 
      1     -13.0767      2.00000
      2     -12.5452      2.00000
      3     -12.0063      2.00000
      4     -11.8300      2.00000
      5     -11.6697      2.00000
      6     -11.0649      2.00000
      7     -10.8763      2.00000
      8     -10.3003      2.00000
      9     -10.0707      2.00000
     10      -9.8425      2.00000
     11      -9.7248      2.00000
     12      -9.3161      2.00000
     13      -8.8560      2.00000
     14      -8.7023      2.00000
     15      -8.3140      2.00000
     16      -8.2331      2.00000
     17      -8.0224      2.00000
     18      -7.7834      2.00000
     19      -7.6414      2.00000
     20      -7.5803      2.00000
     21      -7.5299      2.00000
     22      -7.3728      2.00000
     23      -7.2383      2.00000
     24      -7.1380      2.00000
     25      -7.0360      2.00000
     26      -6.9216      2.00000
     27      -6.7999      2.00000
     28      -6.7739      2.00000
     29      -6.6404      2.00000
     30      -6.5807      2.00000
     31      -6.4825      2.00000
     32      -6.4168      2.00000
     33      -6.3489      2.00000
     34      -6.3103      2.00000
     35      -6.1814      2.00000
     36      -6.0083      2.00000
     37      -5.9800      2.00000
     38      -5.8647      2.00000
     39      -5.7949      2.00000
     40      -5.7873      2.00000
     41      -5.6388      2.00000
     42      -5.5255      2.00000
     43      -5.3307      2.00000
     44      -5.0324      2.00000
     45      -4.9450      2.00000
     46      -4.9005      2.00000
     47      -4.6832      2.00000
     48      -4.6219      2.00000
     49      -4.5924      2.00000
     50      -4.4360      2.00000
     51      -4.4092      2.00000
     52      -4.1762      2.00000
     53      -3.9567      2.00000
     54      -3.8550      2.00000
     55      -3.6246      2.00000
     56      -3.3894      2.00000
     57      -3.2668      2.00000
     58      -3.0890      2.00000
     59      -2.8052      2.00000
     60      -2.6878      2.00000
     61      -2.5285      2.00000
     62      -2.1527      2.00000
     63      -1.8103      2.00161
     64      -1.5142      2.06522
     65      -1.0128     -0.06298
     66      -0.7293     -0.00048
     67      -0.2020     -0.00000
     68       0.0858     -0.00000
     69       0.2010     -0.00000
     70       0.3745     -0.00000
     71       0.5802     -0.00000
     72       0.7334     -0.00000
     73       0.9446     -0.00000
     74       1.0604     -0.00000
     75       1.2630     -0.00000
     76       1.4844     -0.00000
     77       1.5914     -0.00000
     78       1.6719     -0.00000

 k-point    87 :       0.5484    0.4516    0.0000
  band No.  band energies     occupation 
      1     -13.0805      2.00000
      2     -12.5496      2.00000
      3     -12.0069      2.00000
      4     -11.8161      2.00000
      5     -11.6624      2.00000
      6     -11.0812      2.00000
      7     -10.8545      2.00000
      8     -10.3189      2.00000
      9     -10.0843      2.00000
     10      -9.8346      2.00000
     11      -9.7266      2.00000
     12      -9.3114      2.00000
     13      -8.8411      2.00000
     14      -8.6849      2.00000
     15      -8.3262      2.00000
     16      -8.2467      2.00000
     17      -8.0236      2.00000
     18      -7.7884      2.00000
     19      -7.6463      2.00000
     20      -7.5820      2.00000
     21      -7.5306      2.00000
     22      -7.3721      2.00000
     23      -7.2324      2.00000
     24      -7.1406      2.00000
     25      -7.0315      2.00000
     26      -6.9268      2.00000
     27      -6.7991      2.00000
     28      -6.7755      2.00000
     29      -6.6387      2.00000
     30      -6.5809      2.00000
     31      -6.4863      2.00000
     32      -6.4216      2.00000
     33      -6.3501      2.00000
     34      -6.3098      2.00000
     35      -6.1770      2.00000
     36      -6.0137      2.00000
     37      -5.9795      2.00000
     38      -5.8645      2.00000
     39      -5.7920      2.00000
     40      -5.7885      2.00000
     41      -5.6280      2.00000
     42      -5.5201      2.00000
     43      -5.3410      2.00000
     44      -5.0349      2.00000
     45      -4.9449      2.00000
     46      -4.9032      2.00000
     47      -4.6866      2.00000
     48      -4.6328      2.00000
     49      -4.5915      2.00000
     50      -4.4392      2.00000
     51      -4.4099      2.00000
     52      -4.1863      2.00000
     53      -3.9555      2.00000
     54      -3.8522      2.00000
     55      -3.6324      2.00000
     56      -3.3696      2.00000
     57      -3.2655      2.00000
     58      -3.0741      2.00000
     59      -2.7806      2.00000
     60      -2.6618      2.00000
     61      -2.5298      2.00000
     62      -2.1633      2.00000
     63      -1.7865      2.00275
     64      -1.5191      2.06736
     65      -0.9814     -0.04941
     66      -0.7070     -0.00027
     67      -0.2197     -0.00000
     68       0.0766     -0.00000
     69       0.1583     -0.00000
     70       0.3400     -0.00000
     71       0.5596     -0.00000
     72       0.7239     -0.00000
     73       0.9131     -0.00000
     74       1.0438     -0.00000
     75       1.2740     -0.00000
     76       1.4911     -0.00000
     77       1.5827     -0.00000
     78       1.6707     -0.00000

 k-point    88 :       0.5430    0.4570    0.0000
  band No.  band energies     occupation 
      1     -13.0839      2.00000
      2     -12.5535      2.00000
      3     -12.0079      2.00000
      4     -11.8046      2.00000
      5     -11.6520      2.00000
      6     -11.1015      2.00000
      7     -10.8282      2.00000
      8     -10.3403      2.00000
      9     -10.0957      2.00000
     10      -9.8270      2.00000
     11      -9.7283      2.00000
     12      -9.3071      2.00000
     13      -8.8271      2.00000
     14      -8.6673      2.00000
     15      -8.3393      2.00000
     16      -8.2592      2.00000
     17      -8.0247      2.00000
     18      -7.7933      2.00000
     19      -7.6507      2.00000
     20      -7.5835      2.00000
     21      -7.5313      2.00000
     22      -7.3715      2.00000
     23      -7.2264      2.00000
     24      -7.1436      2.00000
     25      -7.0266      2.00000
     26      -6.9322      2.00000
     27      -6.7982      2.00000
     28      -6.7771      2.00000
     29      -6.6371      2.00000
     30      -6.5810      2.00000
     31      -6.4897      2.00000
     32      -6.4260      2.00000
     33      -6.3512      2.00000
     34      -6.3094      2.00000
     35      -6.1729      2.00000
     36      -6.0196      2.00000
     37      -5.9790      2.00000
     38      -5.8644      2.00000
     39      -5.7898      2.00000
     40      -5.7888      2.00000
     41      -5.6170      2.00000
     42      -5.5151      2.00000
     43      -5.3512      2.00000
     44      -5.0371      2.00000
     45      -4.9447      2.00000
     46      -4.9060      2.00000
     47      -4.6935      2.00000
     48      -4.6391      2.00000
     49      -4.5902      2.00000
     50      -4.4416      2.00000
     51      -4.4108      2.00000
     52      -4.1963      2.00000
     53      -3.9548      2.00000
     54      -3.8477      2.00000
     55      -3.6411      2.00000
     56      -3.3517      2.00000
     57      -3.2646      2.00000
     58      -3.0593      2.00000
     59      -2.7575      2.00000
     60      -2.6372      2.00000
     61      -2.5313      2.00000
     62      -2.1746      2.00000
     63      -1.7626      2.00456
     64      -1.5237      2.06886
     65      -0.9504     -0.03540
     66      -0.6850     -0.00014
     67      -0.2382     -0.00000
     68       0.0602     -0.00000
     69       0.1254     -0.00000
     70       0.3045     -0.00000
     71       0.5417     -0.00000
     72       0.7164     -0.00000
     73       0.8852     -0.00000
     74       1.0284     -0.00000
     75       1.2847     -0.00000
     76       1.4970     -0.00000
     77       1.5750     -0.00000
     78       1.6709     -0.00000

 k-point    89 :       0.5376    0.4624    0.0000
  band No.  band energies     occupation 
      1     -13.0869      2.00000
      2     -12.5570      2.00000
      3     -12.0091      2.00000
      4     -11.7960      2.00000
      5     -11.6386      2.00000
      6     -11.1235      2.00000
      7     -10.7993      2.00000
      8     -10.3642      2.00000
      9     -10.1050      2.00000
     10      -9.8200      2.00000
     11      -9.7298      2.00000
     12      -9.3032      2.00000
     13      -8.8143      2.00000
     14      -8.6497      2.00000
     15      -8.3531      2.00000
     16      -8.2703      2.00000
     17      -8.0256      2.00000
     18      -7.7980      2.00000
     19      -7.6547      2.00000
     20      -7.5849      2.00000
     21      -7.5319      2.00000
     22      -7.3711      2.00000
     23      -7.2203      2.00000
     24      -7.1471      2.00000
     25      -7.0215      2.00000
     26      -6.9376      2.00000
     27      -6.7972      2.00000
     28      -6.7787      2.00000
     29      -6.6356      2.00000
     30      -6.5810      2.00000
     31      -6.4927      2.00000
     32      -6.4301      2.00000
     33      -6.3521      2.00000
     34      -6.3090      2.00000
     35      -6.1689      2.00000
     36      -6.0254      2.00000
     37      -5.9786      2.00000
     38      -5.8645      2.00000
     39      -5.7899      2.00000
     40      -5.7869      2.00000
     41      -5.6058      2.00000
     42      -5.5104      2.00000
     43      -5.3612      2.00000
     44      -5.0391      2.00000
     45      -4.9443      2.00000
     46      -4.9090      2.00000
     47      -4.7030      2.00000
     48      -4.6417      2.00000
     49      -4.5887      2.00000
     50      -4.4434      2.00000
     51      -4.4116      2.00000
     52      -4.2059      2.00000
     53      -3.9546      2.00000
     54      -3.8418      2.00000
     55      -3.6507      2.00000
     56      -3.3361      2.00000
     57      -3.2639      2.00000
     58      -3.0449      2.00000
     59      -2.7359      2.00000
     60      -2.6145      2.00000
     61      -2.5326      2.00000
     62      -2.1864      2.00000
     63      -1.7394      2.00721
     64      -1.5278      2.06984
     65      -0.9204     -0.02381
     66      -0.6633     -0.00008
     67      -0.2573     -0.00000
     68       0.0342     -0.00000
     69       0.1051     -0.00000
     70       0.2695     -0.00000
     71       0.5258     -0.00000
     72       0.7106     -0.00000
     73       0.8619     -0.00000
     74       1.0141     -0.00000
     75       1.2949     -0.00000
     76       1.5018     -0.00000
     77       1.5684     -0.00000
     78       1.6723     -0.00000

 k-point    90 :       0.5323    0.4677    0.0000
  band No.  band energies     occupation 
      1     -13.0895      2.00000
      2     -12.5600      2.00000
      3     -12.0103      2.00000
      4     -11.7898      2.00000
      5     -11.6230      2.00000
      6     -11.1458      2.00000
      7     -10.7688      2.00000
      8     -10.3902      2.00000
      9     -10.1125      2.00000
     10      -9.8135      2.00000
     11      -9.7312      2.00000
     12      -9.2998      2.00000
     13      -8.8028      2.00000
     14      -8.6323      2.00000
     15      -8.3675      2.00000
     16      -8.2801      2.00000
     17      -8.0263      2.00000
     18      -7.8023      2.00000
     19      -7.6581      2.00000
     20      -7.5860      2.00000
     21      -7.5326      2.00000
     22      -7.3708      2.00000
     23      -7.2143      2.00000
     24      -7.1509      2.00000
     25      -7.0161      2.00000
     26      -6.9430      2.00000
     27      -6.7962      2.00000
     28      -6.7802      2.00000
     29      -6.6342      2.00000
     30      -6.5809      2.00000
     31      -6.4953      2.00000
     32      -6.4337      2.00000
     33      -6.3528      2.00000
     34      -6.3085      2.00000
     35      -6.1653      2.00000
     36      -6.0311      2.00000
     37      -5.9783      2.00000
     38      -5.8646      2.00000
     39      -5.7900      2.00000
     40      -5.7849      2.00000
     41      -5.5947      2.00000
     42      -5.5063      2.00000
     43      -5.3709      2.00000
     44      -5.0408      2.00000
     45      -4.9438      2.00000
     46      -4.9121      2.00000
     47      -4.7133      2.00000
     48      -4.6420      2.00000
     49      -4.5870      2.00000
     50      -4.4446      2.00000
     51      -4.4126      2.00000
     52      -4.2148      2.00000
     53      -3.9548      2.00000
     54      -3.8344      2.00000
     55      -3.6610      2.00000
     56      -3.3226      2.00000
     57      -3.2633      2.00000
     58      -3.0315      2.00000
     59      -2.7163      2.00000
     60      -2.5952      2.00000
     61      -2.5326      2.00000
     62      -2.1981      2.00000
     63      -1.7178      2.01074
     64      -1.5314      2.07041
     65      -0.8922     -0.01547
     66      -0.6417     -0.00004
     67      -0.2769     -0.00000
     68       0.0036     -0.00000
     69       0.0934     -0.00000
     70       0.2361     -0.00000
     71       0.5118     -0.00000
     72       0.7055     -0.00000
     73       0.8435     -0.00000
     74       1.0009     -0.00000
     75       1.3044     -0.00000
     76       1.5056     -0.00000
     77       1.5628     -0.00000
     78       1.6748     -0.00000

 k-point    91 :       0.5269    0.4731    0.0000
  band No.  band energies     occupation 
      1     -13.0918      2.00000
      2     -12.5625      2.00000
      3     -12.0115      2.00000
      4     -11.7856      2.00000
      5     -11.6064      2.00000
      6     -11.1675      2.00000
      7     -10.7375      2.00000
      8     -10.4178      2.00000
      9     -10.1184      2.00000
     10      -9.8079      2.00000
     11      -9.7323      2.00000
     12      -9.2968      2.00000
     13      -8.7927      2.00000
     14      -8.6153      2.00000
     15      -8.3823      2.00000
     16      -8.2884      2.00000
     17      -8.0269      2.00000
     18      -7.8062      2.00000
     19      -7.6611      2.00000
     20      -7.5869      2.00000
     21      -7.5331      2.00000
     22      -7.3705      2.00000
     23      -7.2083      2.00000
     24      -7.1551      2.00000
     25      -7.0105      2.00000
     26      -6.9485      2.00000
     27      -6.7951      2.00000
     28      -6.7817      2.00000
     29      -6.6330      2.00000
     30      -6.5807      2.00000
     31      -6.4974      2.00000
     32      -6.4369      2.00000
     33      -6.3535      2.00000
     34      -6.3081      2.00000
     35      -6.1620      2.00000
     36      -6.0363      2.00000
     37      -5.9781      2.00000
     38      -5.8649      2.00000
     39      -5.7900      2.00000
     40      -5.7832      2.00000
     41      -5.5840      2.00000
     42      -5.5027      2.00000
     43      -5.3802      2.00000
     44      -5.0422      2.00000
     45      -4.9431      2.00000
     46      -4.9152      2.00000
     47      -4.7230      2.00000
     48      -4.6414      2.00000
     49      -4.5852      2.00000
     50      -4.4454      2.00000
     51      -4.4135      2.00000
     52      -4.2228      2.00000
     53      -3.9554      2.00000
     54      -3.8261      2.00000
     55      -3.6715      2.00000
     56      -3.3115      2.00000
     57      -3.2626      2.00000
     58      -3.0194      2.00000
     59      -2.6986      2.00000
     60      -2.5812      2.00000
     61      -2.5298      2.00000
     62      -2.2094      2.00000
     63      -1.6984      2.01495
     64      -1.5342      2.07071
     65      -0.8667     -0.00999
     66      -0.6203     -0.00002
     67      -0.2968     -0.00000
     68      -0.0261     -0.00000
     69       0.0854     -0.00000
     70       0.2055     -0.00000
     71       0.4996     -0.00000
     72       0.7009     -0.00000
     73       0.8301     -0.00000
     74       0.9888     -0.00000
     75       1.3129     -0.00000
     76       1.5083     -0.00000
     77       1.5581     -0.00000
     78       1.6781     -0.00000

 k-point    92 :       0.5215    0.4785    0.0000
  band No.  band energies     occupation 
      1     -13.0936      2.00000
      2     -12.5646      2.00000
      3     -12.0126      2.00000
      4     -11.7829      2.00000
      5     -11.5900      2.00000
      6     -11.1875      2.00000
      7     -10.7057      2.00000
      8     -10.4467      2.00000
      9     -10.1230      2.00000
     10      -9.8031      2.00000
     11      -9.7333      2.00000
     12      -9.2944      2.00000
     13      -8.7842      2.00000
     14      -8.5992      2.00000
     15      -8.3968      2.00000
     16      -8.2951      2.00000
     17      -8.0274      2.00000
     18      -7.8095      2.00000
     19      -7.6635      2.00000
     20      -7.5877      2.00000
     21      -7.5336      2.00000
     22      -7.3703      2.00000
     23      -7.2023      2.00000
     24      -7.1595      2.00000
     25      -7.0048      2.00000
     26      -6.9541      2.00000
     27      -6.7940      2.00000
     28      -6.7832      2.00000
     29      -6.6321      2.00000
     30      -6.5806      2.00000
     31      -6.4991      2.00000
     32      -6.4397      2.00000
     33      -6.3540      2.00000
     34      -6.3078      2.00000
     35      -6.1591      2.00000
     36      -6.0409      2.00000
     37      -5.9780      2.00000
     38      -5.8651      2.00000
     39      -5.7898      2.00000
     40      -5.7819      2.00000
     41      -5.5742      2.00000
     42      -5.4996      2.00000
     43      -5.3887      2.00000
     44      -5.0434      2.00000
     45      -4.9422      2.00000
     46      -4.9183      2.00000
     47      -4.7316      2.00000
     48      -4.6405      2.00000
     49      -4.5834      2.00000
     50      -4.4458      2.00000
     51      -4.4144      2.00000
     52      -4.2297      2.00000
     53      -3.9562      2.00000
     54      -3.8172      2.00000
     55      -3.6820      2.00000
     56      -3.3028      2.00000
     57      -3.2618      2.00000
     58      -3.0089      2.00000
     59      -2.6832      2.00000
     60      -2.5740      2.00000
     61      -2.5228      2.00000
     62      -2.2199      2.00000
     63      -1.6819      2.01943
     64      -1.5362      2.07084
     65      -0.8447     -0.00663
     66      -0.5992     -0.00001
     67      -0.3165     -0.00000
     68      -0.0523     -0.00000
     69       0.0793     -0.00000
     70       0.1788     -0.00000
     71       0.4893     -0.00000
     72       0.6963     -0.00000
     73       0.8214     -0.00000
     74       0.9781     -0.00000
     75       1.3202     -0.00000
     76       1.5101     -0.00000
     77       1.5544     -0.00000
     78       1.6818     -0.00000

 k-point    93 :       0.5161    0.4839    0.0000
  band No.  band energies     occupation 
      1     -13.0950      2.00000
      2     -12.5662      2.00000
      3     -12.0135      2.00000
      4     -11.7811      2.00000
      5     -11.5751      2.00000
      6     -11.2050      2.00000
      7     -10.6738      2.00000
      8     -10.4765      2.00000
      9     -10.1264      2.00000
     10      -9.7993      2.00000
     11      -9.7340      2.00000
     12      -9.2925      2.00000
     13      -8.7775      2.00000
     14      -8.5845      2.00000
     15      -8.4104      2.00000
     16      -8.3003      2.00000
     17      -8.0278      2.00000
     18      -7.8122      2.00000
     19      -7.6654      2.00000
     20      -7.5882      2.00000
     21      -7.5340      2.00000
     22      -7.3702      2.00000
     23      -7.1965      2.00000
     24      -7.1642      2.00000
     25      -6.9992      2.00000
     26      -6.9595      2.00000
     27      -6.7928      2.00000
     28      -6.7846      2.00000
     29      -6.6313      2.00000
     30      -6.5804      2.00000
     31      -6.5003      2.00000
     32      -6.4419      2.00000
     33      -6.3544      2.00000
     34      -6.3075      2.00000
     35      -6.1566      2.00000
     36      -6.0448      2.00000
     37      -5.9780      2.00000
     38      -5.8653      2.00000
     39      -5.7897      2.00000
     40      -5.7809      2.00000
     41      -5.5656      2.00000
     42      -5.4971      2.00000
     43      -5.3962      2.00000
     44      -5.0443      2.00000
     45      -4.9410      2.00000
     46      -4.9213      2.00000
     47      -4.7385      2.00000
     48      -4.6396      2.00000
     49      -4.5819      2.00000
     50      -4.4460      2.00000
     51      -4.4152      2.00000
     52      -4.2353      2.00000
     53      -3.9569      2.00000
     54      -3.8083      2.00000
     55      -3.6920      2.00000
     56      -3.2964      2.00000
     57      -3.2608      2.00000
     58      -3.0003      2.00000
     59      -2.6704      2.00000
     60      -2.5722      2.00000
     61      -2.5133      2.00000
     62      -2.2290      2.00000
     63      -1.6687      2.02363
     64      -1.5375      2.07089
     65      -0.8268     -0.00464
     66      -0.5792     -0.00001
     67      -0.3353     -0.00000
     68      -0.0737     -0.00000
     69       0.0746     -0.00000
     70       0.1569     -0.00000
     71       0.4810     -0.00000
     72       0.6921     -0.00000
     73       0.8165     -0.00000
     74       0.9692     -0.00000
     75       1.3262     -0.00000
     76       1.5112     -0.00000
     77       1.5516     -0.00000
     78       1.6856     -0.00000

 k-point    94 :       0.5108    0.4892    0.0000
  band No.  band energies     occupation 
      1     -13.0961      2.00000
      2     -12.5674      2.00000
      3     -12.0141      2.00000
      4     -11.7801      2.00000
      5     -11.5630      2.00000
      6     -11.2187      2.00000
      7     -10.6422      2.00000
      8     -10.5066      2.00000
      9     -10.1287      2.00000
     10      -9.7966      2.00000
     11      -9.7346      2.00000
     12      -9.2911      2.00000
     13      -8.7725      2.00000
     14      -8.5722      2.00000
     15      -8.4220      2.00000
     16      -8.3041      2.00000
     17      -8.0281      2.00000
     18      -7.8142      2.00000
     19      -7.6667      2.00000
     20      -7.5886      2.00000
     21      -7.5342      2.00000
     22      -7.3701      2.00000
     23      -7.1907      2.00000
     24      -7.1691      2.00000
     25      -6.9939      2.00000
     26      -6.9647      2.00000
     27      -6.7915      2.00000
     28      -6.7861      2.00000
     29      -6.6307      2.00000
     30      -6.5803      2.00000
     31      -6.5012      2.00000
     32      -6.4435      2.00000
     33      -6.3547      2.00000
     34      -6.3072      2.00000
     35      -6.1548      2.00000
     36      -6.0477      2.00000
     37      -5.9780      2.00000
     38      -5.8655      2.00000
     39      -5.7895      2.00000
     40      -5.7801      2.00000
     41      -5.5588      2.00000
     42      -5.4954      2.00000
     43      -5.4020      2.00000
     44      -5.0449      2.00000
     45      -4.9398      2.00000
     46      -4.9239      2.00000
     47      -4.7435      2.00000
     48      -4.6389      2.00000
     49      -4.5807      2.00000
     50      -4.4460      2.00000
     51      -4.4158      2.00000
     52      -4.2394      2.00000
     53      -3.9576      2.00000
     54      -3.8005      2.00000
     55      -3.7006      2.00000
     56      -3.2921      2.00000
     57      -3.2597      2.00000
     58      -2.9940      2.00000
     59      -2.6606      2.00000
     60      -2.5729      2.00000
     61      -2.5046      2.00000
     62      -2.2361      2.00000
     63      -1.6592      2.02700
     64      -1.5382      2.07091
     65      -0.8137     -0.00353
     66      -0.5616     -0.00000
     67      -0.3517     -0.00000
     68      -0.0894     -0.00000
     69       0.0710     -0.00000
     70       0.1408     -0.00000
     71       0.4749     -0.00000
     72       0.6887     -0.00000
     73       0.8141     -0.00000
     74       0.9623     -0.00000
     75       1.3306     -0.00000
     76       1.5118     -0.00000
     77       1.5496     -0.00000
     78       1.6888     -0.00000

 k-point    95 :       0.5054    0.4946    0.0000
  band No.  band energies     occupation 
      1     -13.0967      2.00000
      2     -12.5681      2.00000
      3     -12.0145      2.00000
      4     -11.7796      2.00000
      5     -11.5551      2.00000
      6     -11.2275      2.00000
      7     -10.6124      2.00000
      8     -10.5356      2.00000
      9     -10.1301      2.00000
     10      -9.7949      2.00000
     11      -9.7349      2.00000
     12      -9.2903      2.00000
     13      -8.7696      2.00000
     14      -8.5637      2.00000
     15      -8.4302      2.00000
     16      -8.3063      2.00000
     17      -8.0282      2.00000
     18      -7.8154      2.00000
     19      -7.6675      2.00000
     20      -7.5889      2.00000
     21      -7.5344      2.00000
     22      -7.3700      2.00000
     23      -7.1851      2.00000
     24      -7.1742      2.00000
     25      -6.9894      2.00000
     26      -6.9691      2.00000
     27      -6.7903      2.00000
     28      -6.7874      2.00000
     29      -6.6304      2.00000
     30      -6.5802      2.00000
     31      -6.5017      2.00000
     32      -6.4445      2.00000
     33      -6.3549      2.00000
     34      -6.3071      2.00000
     35      -6.1537      2.00000
     36      -6.0495      2.00000
     37      -5.9780      2.00000
     38      -5.8656      2.00000
     39      -5.7894      2.00000
     40      -5.7797      2.00000
     41      -5.5545      2.00000
     42      -5.4943      2.00000
     43      -5.4059      2.00000
     44      -5.0452      2.00000
     45      -4.9387      2.00000
     46      -4.9259      2.00000
     47      -4.7465      2.00000
     48      -4.6384      2.00000
     49      -4.5799      2.00000
     50      -4.4459      2.00000
     51      -4.4162      2.00000
     52      -4.2420      2.00000
     53      -3.9580      2.00000
     54      -3.7948      2.00000
     55      -3.7068      2.00000
     56      -3.2897      2.00000
     57      -3.2590      2.00000
     58      -2.9901      2.00000
     59      -2.6544      2.00000
     60      -2.5742      2.00000
     61      -2.4986      2.00000
     62      -2.2406      2.00000
     63      -1.6535      2.02917
     64      -1.5385      2.07091
     65      -0.8057     -0.00298
     66      -0.5491     -0.00000
     67      -0.3635     -0.00000
     68      -0.0991     -0.00000
     69       0.0687     -0.00000
     70       0.1310     -0.00000
     71       0.4712     -0.00000
     72       0.6864     -0.00000
     73       0.8132     -0.00000
     74       0.9580     -0.00000
     75       1.3334     -0.00000
     76       1.5120     -0.00000
     77       1.5484     -0.00000
     78       1.6912     -0.00000

 k-point    96 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1     -13.0969      2.00000
      2     -12.5683      2.00000
      3     -12.0146      2.00000
      4     -11.7794      2.00000
      5     -11.5523      2.00000
      6     -11.2306      2.00000
      7     -10.5945      2.00000
      8     -10.5532      2.00000
      9     -10.1305      2.00000
     10      -9.7943      2.00000
     11      -9.7350      2.00000
     12      -9.2900      2.00000
     13      -8.7686      2.00000
     14      -8.5606      2.00000
     15      -8.4331      2.00000
     16      -8.3070      2.00000
     17      -8.0283      2.00000
     18      -7.8158      2.00000
     19      -7.6678      2.00000
     20      -7.5890      2.00000
     21      -7.5345      2.00000
     22      -7.3700      2.00000
     23      -7.1802      2.00000
     24      -7.1790      2.00000
     25      -6.9874      2.00000
     26      -6.9711      2.00000
     27      -6.7893      2.00000
     28      -6.7884      2.00000
     29      -6.6303      2.00000
     30      -6.5802      2.00000
     31      -6.5019      2.00000
     32      -6.4448      2.00000
     33      -6.3549      2.00000
     34      -6.3071      2.00000
     35      -6.1533      2.00000
     36      -6.0501      2.00000
     37      -5.9780      2.00000
     38      -5.8656      2.00000
     39      -5.7894      2.00000
     40      -5.7796      2.00000
     41      -5.5530      2.00000
     42      -5.4939      2.00000
     43      -5.4072      2.00000
     44      -5.0453      2.00000
     45      -4.9382      2.00000
     46      -4.9266      2.00000
     47      -4.7476      2.00000
     48      -4.6383      2.00000
     49      -4.5796      2.00000
     50      -4.4459      2.00000
     51      -4.4164      2.00000
     52      -4.2428      2.00000
     53      -3.9581      2.00000
     54      -3.7927      2.00000
     55      -3.7090      2.00000
     56      -3.2890      2.00000
     57      -3.2587      2.00000
     58      -2.9888      2.00000
     59      -2.6522      2.00000
     60      -2.5747      2.00000
     61      -2.4965      2.00000
     62      -2.2422      2.00000
     63      -1.6516      2.02991
     64      -1.5386      2.07091
     65      -0.8030     -0.00281
     66      -0.5445     -0.00000
     67      -0.3679     -0.00000
     68      -0.1023     -0.00000
     69       0.0679     -0.00000
     70       0.1277     -0.00000
     71       0.4699     -0.00000
     72       0.6856     -0.00000
     73       0.8130     -0.00000
     74       0.9566     -0.00000
     75       1.3343     -0.00000
     76       1.5120     -0.00000
     77       1.5481     -0.00000
     78       1.6924     -0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -2.288  -0.003  -0.000  -0.001  -0.000
 -0.003   0.050  -0.000  -0.001  -0.000
 -0.000  -0.000  -0.351   0.000   0.000
 -0.001  -0.001   0.000  -0.349   0.000
 -0.000  -0.000   0.000   0.000  -0.351
 total augmentation occupancy for first ion, spin component:           1
  1.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000


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





 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.548   0.013   0.000   0.561
    2        0.547   0.013   0.000   0.560
    3        0.547   0.013   0.000   0.560
    4        0.539   0.012   0.000   0.550
    5        0.739   0.869   0.000   1.608
    6        0.751   0.955   0.000   1.705
    7        0.747   0.926   0.000   1.673
    8        0.749   0.929   0.000   1.679
    9        0.747   0.931   0.000   1.678
   10        0.750   0.937   0.000   1.687
   11        0.745   0.918   0.000   1.663
   12        0.744   0.951   0.000   1.695
   13        0.844   0.739   0.000   1.583
   14        0.815   0.690   0.000   1.506
   15        0.821   0.701   0.000   1.522
   16        0.828   0.773   0.000   1.601
   17        0.802   0.745   0.000   1.547
   18        0.833   0.739   0.000   1.572
   19        0.802   0.737   0.000   1.539
   20        0.825   0.769   0.000   1.594
   21        0.837   0.750   0.000   1.587
   22        0.726   0.505   8.632   9.863
   23        0.716   0.497   8.624   9.837
   24        0.681   0.480   8.596   9.757
   25        0.666   0.586   8.639   9.891
   26        0.694   0.415   8.682   9.790
--------------------------------------------------
tot         19.044  16.592  43.172  78.808
 
    CHARGE:  cpu time      6.6983: real time      6.7085
    FORLOC:  cpu time      0.0258: real time      0.0259
    FORNL :  cpu time     14.2386: real time     14.2661
    STRESS:  cpu time     49.6764: real time     49.7903
    FORCOR:  cpu time      0.8243: real time      0.8253
    FORHAR:  cpu time      0.2299: real time      0.2301
    OFIELD:  cpu time      0.0011: real time      0.0011

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    56.50946    56.50946    56.50946
  Ewald   38839.57654 38839.43372-42817.07909    -0.08585     0.00009    -0.04897
  Hartree 40078.54335 40069.56929-39193.90639     4.38939    -1.00863    -1.16647
  E(xc)    -471.91573  -472.01295  -472.16041     0.07831     0.06516     0.06886
  Local  -80690.80890-80675.29352 80247.49616    -7.31007     2.80161     3.20485
  n-local   686.21711   684.75134   682.34454     0.43649    -1.06691    -1.15413
  augment   231.16395   231.33952   228.83853    -0.05061     0.21681     0.21329
  Kinetic  1262.36166  1262.63196  1268.40023    -0.25371    -1.05081    -1.02071
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -8.35258    -3.07120     0.44301    -2.79605    -0.04267     0.09672
  in kB      -8.72758    -3.20908     0.46290    -2.92158    -0.04459     0.10107
  external pressure =       -3.82 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      350.00
  volume of cell :     1533.34
      direct lattice vectors                 reciprocal lattice vectors
     7.682324182  0.000000000  0.000000000     0.130168941 -0.075153073  0.000000000
     3.841162091  6.653087902  0.000000000     0.000000000  0.150306146  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors
     7.682324182  7.682324182 30.000000000     0.150306146  0.150306146  0.033333333


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.755E+00 0.432E+00 0.156E+03   -.807E+00 -.467E+00 -.159E+03   0.273E-02 0.447E-02 0.285E+01   -.110E-01 0.712E-02 -.932E-01
   -.836E-02 -.818E+00 0.156E+03   -.571E-03 0.934E+00 -.159E+03   0.856E-02 0.168E-01 0.284E+01   0.289E-01 0.120E-01 0.122E+00
   -.731E+00 0.409E+00 0.156E+03   0.805E+00 -.466E+00 -.159E+03   0.139E-01 0.474E-02 0.284E+01   0.319E-01 0.283E-01 0.639E-01
   0.391E-01 0.448E-01 0.155E+03   -.436E-02 0.159E-02 -.158E+03   0.338E-02 0.472E-02 0.271E+01   -.244E-01 -.293E-01 -.130E-01
   0.130E+01 0.127E+01 0.387E+03   0.292E-01 -.572E-01 -.390E+03   -.473E+00 -.416E+00 0.281E+01   -.613E+00 -.579E+00 0.332E-01
   0.920E+01 0.502E+01 0.488E+03   -.882E+01 -.513E+01 -.489E+03   -.321E+00 -.186E-01 0.126E+01   -.865E-01 0.833E-01 -.283E+00
   0.136E+02 -.774E+01 0.432E+03   -.136E+02 0.791E+01 -.434E+03   -.412E+00 -.503E+00 0.175E+01   0.275E+00 0.374E+00 -.221E+00
   -.955E+00 -.127E+02 0.487E+03   0.234E-01 0.102E+02 -.489E+03   0.550E+00 0.224E+01 0.133E+01   0.303E+00 0.137E+00 0.297E+00
   0.735E-01 0.159E+02 0.432E+03   0.790E-01 -.158E+02 -.434E+03   -.523E+00 -.313E+00 0.164E+01   0.339E+00 -.180E-01 -.413E+00
   -.111E+02 0.498E+01 0.487E+03   0.876E+01 -.506E+01 -.489E+03   0.185E+01 -.265E+00 0.125E+01   0.315E+00 0.300E+00 0.163E+00
   -.125E+02 -.722E+01 0.431E+03   0.137E+02 0.786E+01 -.433E+03   -.706E+00 -.540E+00 0.222E+01   -.336E+00 -.511E-01 0.432E+00
   -.232E+00 -.160E+00 0.463E+03   -.186E-01 0.110E-01 -.464E+03   0.558E+00 0.488E+00 0.142E+01   -.226E+00 -.249E+00 -.250E-01
   0.250E+02 0.137E+02 0.108E+03   -.248E+02 -.143E+02 -.110E+03   0.870E+00 0.749E+00 0.171E+01   -.839E+00 -.208E+00 -.104E+00
   -.179E+01 -.278E+02 0.110E+03   -.104E+00 0.286E+02 -.110E+03   0.903E+00 -.572E+00 0.574E+00   0.630E+00 -.249E+00 -.759E+00
   -.254E+02 0.118E+02 0.109E+03   0.247E+02 -.143E+02 -.109E+03   -.265E-01 0.131E+01 0.587E+00   0.463E+00 0.736E+00 -.641E+00
   -.360E+02 0.186E+02 -.451E+03   0.380E+02 -.215E+02 0.453E+03   -.186E+01 0.309E+01 -.172E+01   -.441E-01 -.256E+00 -.404E+00
   0.470E+00 -.423E+02 -.453E+03   -.331E+00 0.438E+02 0.453E+03   -.265E+00 -.184E+01 -.773E+00   -.419E-01 0.280E+00 0.357E+00
   0.344E+02 0.244E+02 -.451E+03   -.377E+02 -.222E+02 0.453E+03   0.274E+01 -.175E+01 -.491E+00   0.397E+00 -.227E+00 -.915E+00
   -.360E+02 0.222E+02 -.453E+03   0.377E+02 -.221E+02 0.453E+03   -.171E+01 0.201E+00 -.425E+00   -.118E-01 -.237E+00 0.169E+00
   -.885E+00 -.400E+02 -.451E+03   0.347E+00 0.437E+02 0.453E+03   0.104E+01 -.362E+01 -.200E+01   -.308E+00 0.805E-01 -.119E+00
   0.387E+02 0.178E+02 -.451E+03   -.380E+02 -.216E+02 0.453E+03   -.470E+00 0.339E+01 -.555E+00   -.102E+00 0.276E+00 -.101E+01
   -.124E+01 0.455E+02 0.997E+02   0.174E+00 -.456E+02 -.102E+03   0.344E-01 0.105E+00 0.233E+01   0.104E+01 0.147E+00 -.216E+00
   0.390E+02 -.241E+02 0.101E+03   -.396E+02 0.230E+02 -.102E+03   -.375E-01 0.661E-01 0.217E+01   0.735E+00 0.110E+01 -.831E+00
   -.395E+02 -.230E+02 0.102E+03   0.395E+02 0.227E+02 -.101E+03   0.424E+00 0.244E+00 0.171E+01   -.214E+00 0.193E+00 -.289E+01
   -.164E+00 -.197E+00 -.926E+03   -.115E+00 0.234E-01 0.927E+03   -.602E-01 -.118E+00 0.795E+00   0.376E+00 0.320E+00 -.134E+01
   -.756E+00 -.131E+00 -.124E+04   0.148E+00 -.431E-01 0.124E+04   0.126E+00 0.896E-01 0.320E+00   0.460E+00 0.602E-01 -.974E+00
 -----------------------------------------------------------------------------------------------
   -.475E+01 -.403E+01 -.195E+02   0.168E-13 0.217E-13 -.682E-12   0.226E+01 0.204E+01 0.292E+02   0.254E+01 0.203E+01 -.961E+01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.91811      1.10504      3.07743        -0.061999     -0.024343     -0.045482
      3.84290      4.43904      3.07854         0.026692      0.142630     -0.083437
      5.76798      1.10490      3.08042         0.118068     -0.025694     -0.071851
      7.68338      4.43413      3.19455         0.011975      0.020231      0.253392
      0.00000      0.00000      5.54573         0.244805      0.215548      0.156396
      1.92596      1.10938      4.58243        -0.026293     -0.047119     -0.167055
      1.95413      3.30655      5.40503        -0.170453      0.032032      0.139464
      3.84316      4.43000      4.58371        -0.080314     -0.111012     -0.169044
      3.84232      0.03580      5.40634        -0.033818     -0.184472      0.129722
      5.76020      1.10948      4.58589        -0.133911     -0.045368     -0.184796
      5.73094      3.30681      5.40711         0.146844      0.056480      0.111326
      7.68359      4.43409      4.72358         0.079277      0.088851     -0.087398
      1.42119      0.82099      7.62027         0.191678     -0.029901      0.064427
      3.83869      5.00945      7.62111        -0.364403      0.017371      0.007951
      6.25680      0.82193      7.62325        -0.271528     -0.404831      0.055778
      2.57544      4.35403     10.10436         0.114949     -0.056194     -0.088502
      2.62142      0.05417     10.10563        -0.168919     -0.116087     -0.351931
      6.32187      2.24386     10.10589        -0.122621      0.173746      0.398692
      1.35717      2.24346     10.10498        -0.075050      0.075325     -0.216894
      5.05852      0.05486     10.10555         0.195555      0.154285     -0.231458
      5.10322      4.35427     10.10614         0.119345     -0.164275      0.405092
      3.83885      0.19919      7.83571         0.005154      0.145840      0.168830
      2.09256      3.22507      7.83471         0.037667     -0.025216      0.083666
      5.58719      3.22740      7.83619         0.206475      0.111068     -0.279384
     11.52264      6.65267      9.60645         0.034773      0.027519     -0.117050
      7.68100      4.43514     10.33301        -0.023946     -0.026414      0.119546
 -----------------------------------------------------------------------------------
    total drift:                                0.046775      0.039705      0.006450


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -115.65774040 eV

  energy  without entropy=     -115.65152506  energy(sigma->0) =     -115.65566862
 


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


    POTLOK:  cpu time      0.9538: real time      0.9547


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


     LOOP+:  cpu time   1659.5241: real time   1663.0612
    4ORBIT:  cpu time      0.0000: real time      0.0000



 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.548   0.013   0.000   0.561
    2        0.547   0.013   0.000   0.560
    3        0.547   0.013   0.000   0.560
    4        0.539   0.012   0.000   0.550
    5        0.739   0.869   0.000   1.608
    6        0.751   0.955   0.000   1.705
    7        0.747   0.926   0.000   1.673
    8        0.749   0.929   0.000   1.679
    9        0.747   0.931   0.000   1.678
   10        0.750   0.937   0.000   1.687
   11        0.745   0.918   0.000   1.663
   12        0.744   0.951   0.000   1.695
   13        0.844   0.739   0.000   1.583
   14        0.815   0.690   0.000   1.506
   15        0.821   0.701   0.000   1.522
   16        0.828   0.773   0.000   1.601
   17        0.802   0.745   0.000   1.547
   18        0.833   0.739   0.000   1.572
   19        0.802   0.737   0.000   1.539
   20        0.825   0.769   0.000   1.594
   21        0.837   0.750   0.000   1.587
   22        0.726   0.505   8.632   9.863
   23        0.716   0.497   8.624   9.837
   24        0.681   0.480   8.596   9.757
   25        0.666   0.586   8.639   9.891
   26        0.694   0.415   8.682   9.790
--------------------------------------------------
tot         19.044  16.592  43.172  78.808
 

 total amount of memory used by VASP MPI-rank0   219750. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     120386. kBytes
   fftplans  :       4123. kBytes
   grid      :       6953. kBytes
   one-center:         62. kBytes
   wavefun   :      58226. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     1730.402
                            User time (sec):     1081.146
                          System time (sec):      649.256
                         Elapsed time (sec):     1735.453
  
                   Maximum memory used (kb):      372760.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       184445
                          Major page faults:            0
                 Voluntary context switches:         1654
